7:1:1:1     On the phase identity and its thermal evolution of lead free (Bi1/2Na1/2)TiO3-6 mol% BaTiO3
DOI:10.1063/1.3645054 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:130 AU: Jo, Wook;Schaab, Silke;Sapper, Eva;Schmitt, Ljubomira A.;Kleebe, Hans-Joachim;Bell, Andrew J.;Roedel, Juergen;
7:1:1:2 Evolving morphotropic phase boundary in lead-free (Bi1/2Na1/2)TiO3-BaTiO3 piezoceramics
DOI:10.1063/1.3530737 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:136 AU: Jo, Wook;Daniels, John E.;Jones, Jacob L.;Tan, Xiaoli;Thomas, Pamela A.;Damjanovic, Dragan;Roedel, Juergen;
7:1:1:3 Monoclinic crystal structure of polycrystalline Na0.5Bi0.5TiO3
DOI:10.1063/1.3573826 JN:APPLIED PHYSICS LETTERS PY:2011 TC:85 AU: Aksel, Elena;Forrester, Jennifer S.;Jones, Jacob L.;Thomas, Pam A.;Page, Katharine;Suchomel, Matthew R.;
7:1:1:4 Domain structure-dielectric property relationship in lead-free (1-x)(Bi1/2Na1/2)TiO3-xBaTiO(3) ceramics
DOI:10.1063/1.3514093 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:87 AU: Ma, C.;Tan, X.;Dul'kin, E.;Roth, M.;
7:1:1:5 Structural complexity of (Na0.5Bi0.5)TiO3-BaTiO3 as revealed by Raman spectroscopy
DOI:10.1103/PhysRevB.82.104112 JN:PHYSICAL REVIEW B PY:2010 TC:63 AU: Wylie-van Eerd, Ben;Damjanovic, Dragan;Klein, Naama;Setter, Nava;Trodahl, Joe;
7:1:1:6 In Situ Transmission Electron Microscopy of Electric Field-Triggered Reversible Domain Formation in Bi-Based Lead-Free Piezoceramics
DOI:10.1111/j.1551-2916.2010.03778.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:81 AU: Kling, Jens;Tan, Xiaoli;Jo, Wook;Kleebe, Hans-Joachim;Fuess, Hartmut;Roedel, Juergen;
7:1:1:7 Temperature-Insensitive Large Strain of (Bi1/2Na1/2)TiO3-(Bi1/2K1/2)TiO3-(K0.5Na0.5)NbO3 Lead-Free Piezoceramics
DOI:10.1111/j.1551-2916.2009.03573.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:81 AU: Seifert, Klaus T. P.;Jo, Wook;Roedel, Juergen;
7:1:1:8 Lone-Pair-Induced Covalency as the Cause of Temperature- and Field-Induced Instabilities in Bismuth Sodium Titanate
DOI:10.1002/adfm.201102758 JN:ADVANCED FUNCTIONAL MATERIALS PY:2012 TC:59 AU: Schuetz, Denis;Deluca, Marco;Krauss, Werner;Feteira, Antonio;Jackson, Tim;Reichmann, Klaus;
7:1:1:9 Creation and Destruction of Morphotropic Phase Boundaries through Electrical Poling: A Case Study of Lead-Free (Bi1/2Na1/2)TiO3-BaTiO3 Piezoelectrics
DOI:10.1103/PhysRevLett.109.107602 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:48 AU: Ma, Cheng;Guo, Hanzheng;Beckman, Scott P.;Tan, Xiaoli;
7:1:1:10 Electric-field-induced phase-change behavior in (Bi0.5Na0.5)TiO3-BaTiO3-(K0.5Na0.5)NbO3: A combinatorial investigation
DOI:10.1016/j.actamat.2009.11.052 JN:ACTA MATERIALIA PY:2010 TC:73 AU: Daniels, John E.;Jo, Wook;Roedel, Juergen;Honkimaeki, Veijo;Jones, Jacob L.;
7:1:1:11 Temperature-Dependent Properties of (Bi1/2Na1/2)TiO3-(Bi1/2K1/2)TiO3-SrTiO3 Lead-Free Piezoceramics
DOI:10.1111/j.1551-2916.2012.05162.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:64 AU: Wang, Ke;Hussain, Ali;Jo, Wook;Roedel, Juergen;
7:1:1:12 Determination of depolarization temperature of (Bi1/2Na1/2)TiO3-based lead-free piezoceramics
DOI:10.1063/1.3660253 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:61 AU: Anton, Eva-Maria;Jo, Wook;Damjanovic, Dragan;Roedel, Juergen;
7:1:1:13 Structure and properties of Fe-modified Na0.5Bi0.5TiO3 at ambient and elevated temperature
DOI:10.1103/PhysRevB.85.024121 JN:PHYSICAL REVIEW B PY:2012 TC:35 AU: Aksel, Elena;Forrester, Jennifer S.;Kowalski, Benjamin;Deluca, Marco;Damjanovic, Dragan;Jones, Jacob L.;
7:1:1:14 Electric-field-induced volume change and room temperature phase stability of (Bi1/2Na1/2)TiO3-x mol. % BaTiO3 piezoceramics
DOI:10.1063/1.3615675 JN:APPLIED PHYSICS LETTERS PY:2011 TC:42 AU: Jo, Wook;Roedel, Juergen;
7:1:1:15 Dielectric relaxation, lattice dynamics and polarization mechanisms in Bi0.5Na0.5TiO3-based lead-free ceramics
DOI:10.1063/1.4812383 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:21 AU: Viola, Giuseppe;Ning, Huanpo;Wei, Xiaojong;Deluca, Marco;Adomkevicius, Arturas;Khaliq, Jibran;Reece, Michael John;Yan, Haixue;
7:1:1:16 Phase transitions and phase diagram of the ferroelectric perovskite (Na0.5Bi0.5)(1-x)BaxTiO3 by anelastic and dielectric measurements
DOI:10.1103/PhysRevB.81.144124 JN:PHYSICAL REVIEW B PY:2010 TC:52 AU: Cordero, F.;Craciun, F.;Trequattrini, F.;Mercadelli, E.;Galassi, C.;
7:1:1:17 Influence of electric fields on the depolarization temperature of Mn-doped (1-x)Bi1/2Na1/2TiO3-xBaTiO(3)
DOI:10.1063/1.3674275 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:36 AU: Sapper, Eva;Schaab, Silke;Jo, Wook;Granzow, Torsten;Roedel, Juergen;
7:1:1:18 Large Strain Response in the Ternary Bi0.5Na0.5TiO3-BaTiO3-SrTiO3 Solid Solutions
DOI:10.1111/j.1551-2916.2012.05119.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:46 AU: Wang, Feifei;Xu, Min;Tang, Yanxue;Wang, Tao;Shi, Wangzhou;Leung, Chung Ming;
7:1:1:19 Electric-field-induced strain mechanisms in lead-free 94%(Bi1/2Na1/2)TiO3-6%BaTiO3
DOI:10.1063/1.3557049 JN:APPLIED PHYSICS LETTERS PY:2011 TC:40 AU: Simons, Hugh;Daniels, John;Jo, Wook;Dittmer, Robert;Studer, Andrew;Avdeev, Maxim;Roedel, Juergen;Hoffman, Mark;
7:1:1:20 Nanoscale Insight Into Lead-Free BNT-BT-xKNN
DOI:10.1002/adfm.201200592 JN:ADVANCED FUNCTIONAL MATERIALS PY:2012 TC:43 AU: Dittmer, Robert;Jo, Wook;Roedel, Juergen;Kalinin, Sergei;Balke, Nina;
7:1:1:21 Relaxor Characteristics of Morphotropic Phase Boundary (Bi1/2Na1/2)TiO3-(Bi1/2K1/2)TiO3 Modified with Bi(Zn1/2Ti1/2)O3
DOI:10.1111/j.1551-2916.2011.04631.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:42 AU: Dittmer, Robert;Jo, Wook;Daniels, John;Schaab, Silke;Roedel, Juergen;
7:1:1:22 Evolution of domain structures in Na1/2Bi1/2TiO3 single crystals with BaTiO3
DOI:10.1103/PhysRevB.83.054107 JN:PHYSICAL REVIEW B PY:2011 TC:35 AU: Yao, Jianjun;Yan, Li;Ge, Wenwei;Luo, Liang;Li, Jiefang;Viehland, D.;Zhang, Qinhui;Luo, Haosu;
7:1:1:23 In situ Transmission Electron Microscopy Study on the Phase Transitions in Lead-Free (1-x)(Bi1/2Na1/2)TiO3-xBaTiO(3) Ceramics
DOI:10.1111/j.1551-2916.2011.04670.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:45 AU: Ma, C.;Tan, X.;
7:1:1:24 Two-stage processes of electrically induced-ferroelectric to relaxor transition in 0.94(Bi1/2Na1/2)TiO3-0.06BaTiO(3)
DOI:10.1063/1.4805360 JN:APPLIED PHYSICS LETTERS PY:2013 TC:30 AU: Jo, Wook;Daniels, John;Damjanovic, Dragan;Kleemann, Wolfgang;Roedel, Juergen;
7:1:1:25 Giant strain in Nb-doped Bi-0.5(Na0.82K0.18)(0.5)TiO3 lead-free electromechanical ceramics
DOI:10.1016/j.matlet.2010.07.048 JN:MATERIALS LETTERS PY:2010 TC:66 AU: Pham, Ky-Nam;Hussain, Ali;Ahn, Chang Won;Kim, Ill Won;Jeong, Soon Jong;Lee, Jae-Shin;
7:1:1:26 Role of coexisting tetragonal regions in the rhombohedral phase of Na0.5Bi0.5TiO3-xat.%BaTiO3 crystals on enhanced piezoelectric properties on approaching the morphotropic phase boundary
DOI:10.1063/1.3673832 JN:APPLIED PHYSICS LETTERS PY:2012 TC:22 AU: Yao, Jianjun;Monsegue, Niven;Murayama, Mitsuhiro;Leng, Weinan;Reynolds, William T.;Zhang, Qinhui;Luo, Haosu;Li, Jiefang;Ge, Wenwei;Viehland, D.;
7:1:1:27 Switching of morphotropic phase boundary and large strain response in lead-free ternary (Bi0.5Na0.5)TiO3-(K0.5Bi0.5)TiO3-(K0.5Na0.5)NbO3 system
DOI:10.1063/1.4795511 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:21 AU: Hao, Jigong;Shen, Bo;Zhai, Jiwei;Liu, Chunze;Li, Xiaolong;Gao, Xingyu;
7:1:1:28 Nano- and Mesoscale Structure of Na1/2Bi1/2TiO3: A TEM Perspective
DOI:10.1002/adfm.201200282 JN:ADVANCED FUNCTIONAL MATERIALS PY:2012 TC:51 AU: Levin, Igor;Reaney, Ian M.;
7:1:1:29 Large Electric Field-Induced Strain and Antiferroelectric Behavior in (1-x)(Na0.5Bi0.5)TiO3-xBaTiO(3) Ceramics
DOI:10.1021/cm102719k JN:CHEMISTRY OF MATERIALS PY:2011 TC:48 AU: Guo, Yiping;Liu, Yun;Withers, Ray L.;Brink, Frank;Chen, Hua;
7:1:1:30 Piezoelectric and Ferroelectric Properties of Li-Doped (Bi0.5Na0.5)TiO3-(Bi0.5K0.5)TiO3-BaTiO3 Lead-Free Piezoelectric Ceramics
DOI:10.1111/j.1551-2916.2009.03535.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:40 AU: Dai, Ye-Jing;Zhang, Shujun;Shrout, Thomas R.;Zhang, Xiao-Wen;
7:1:1:31 Lead-free piezoelectric system (Na0.5Bi0.5)TiO3-BaTiO3: Equilibrium structures and irreversible structural transformations driven by electric field and mechanical impact
DOI:10.1103/PhysRevB.88.014103 JN:PHYSICAL REVIEW B PY:2013 TC:10 AU: Garg, Rohini;Rao, Badari Narayana;Senyshyn, Anatoliy;Krishna, P. S. R.;Ranjan, Rajeev;
7:1:1:32 A New Phase Boundary in (Bi1/2Na1/2)TiO3-BaTiO3 Revealed via a Novel Method of Electron Diffraction Analysis
DOI:10.1002/adfm.201300640 JN:ADVANCED FUNCTIONAL MATERIALS PY:2013 TC:26 AU: Ma, Cheng;Guo, Hanzheng;Tan, Xiaoli;
7:1:1:33 Composition-induced antiferroelectric phase and giant strain in lead-free (Na-y,Bi-z)Ti1-xO3(1-x)-xBaTiO(3) ceramics
DOI:10.1103/PhysRevB.83.054118 JN:PHYSICAL REVIEW B PY:2011 TC:35 AU: Guo, Yiping;Gu, Mingyuan;Luo, Haosu;Liu, Yun;Withers, Ray L.;
7:1:1:34 Strain enhancement in Bi-1/2(Na0.82K0.18)(1/2)TiO3 lead-free electromechanical ceramics by co-doping with Li and Ta
DOI:10.1016/j.jallcom.2011.09.043 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:36 AU: Nguyen, Van-Quyet;Han, Hyoung-Su;Kim, Kyung-Jong;Dang, Duc-Dung;Ahn, Kyoung-Kwan;Lee, Jae-Shin;
7:1:1:35 Phase transition sequence in sodium bismuth titanate observed using high-resolution x-ray diffraction
DOI:10.1063/1.3664393 JN:APPLIED PHYSICS LETTERS PY:2011 TC:27 AU: Aksel, Elena;Forrester, Jennifer S.;Kowalski, Benjamin;Jones, Jacob L.;Thomas, Pam A.;
7:1:1:36 Origin of large recoverable strain in 0.94(Bi0.5Na0.5)TiO3-0.06BaTiO(3) near the ferroelectric-relaxor transition
DOI:10.1063/1.4790285 JN:APPLIED PHYSICS LETTERS PY:2013 TC:10 AU: Simons, Hugh;Daniels, John E.;Glaum, Julia;Studer, Andrew J.;Jones, Jacob L.;Hoffman, Mark;
7:1:1:37 Origin of high piezoelectric response in A-site disordered morphotropic phase boundary composition of lead-free piezoelectric 0.93(Na0.5Bi0.5)TiO3-0.07BaTiO(3)
DOI:10.1063/1.4792729 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:15 AU: Maurya, Deepam;Murayama, M.;Pramanick, A.;Reynolds, W. T., Jr.;An, Ke;Priya, Shashank;
7:1:1:38 Structural investigations on lead-free Bi1/2Na1/2TiO3-based piezoceramics
DOI:10.1007/s10853-011-5427-6 JN:JOURNAL OF MATERIALS SCIENCE PY:2011 TC:35 AU: Schmitt, L. A.;Kling, J.;Hinterstein, M.;Hoelzel, M.;Jo, Wook;Kleebe, H. -J.;Fuess, H.;
7:1:1:39 Enhanced electric field-induced strain and ferroelectric behavior of (Bi0.5Na0.5)TiO3-BaTiO3-SrZrO3 lead-free ceramics
DOI:10.1016/j.ceramint.2014.04.026 JN:CERAMICS INTERNATIONAL PY:2014 TC:8 AU: Maqbool, Adnan;Hussain, Ali;Rahman, Jamil Ur;Song, Tae Kwon;Kim, Won-Jeong;Lee, Jehyun;Kim, Myong-Ho;
7:1:1:40 The Composition and Temperature-Dependent Structure Evolution and Large Strain Response in (1-x)(Bi0.5Na0.5)TiO3-xBa(Al0.5Ta0.5)O3 Ceramics
DOI:10.1111/jace.12039 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:16 AU: Bai, Wangfeng;Bian, Yanlong;Hao, Jigong;Shen, Bo;Zhai, Jiwei;
7:1:1:41 Effect of Ferroelectric Long-Range Order on the Unipolar and Bipolar Electric Fatigue in Bi1/2Na1/2TiO3-Based Lead-Free Piezoceramics
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7:1:1:42 Hierarchical domains in Na1/2Bi1/2TiO3 single crystals: Ferroelectric phase transformations within the geometrical restrictions of a ferroelastic inheritance
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7:1:1:43 Electric-field-induced and spontaneous relaxor-ferroelectric phase transitions in (Na1/2Bi1/2)(1-x)BaxTiO3
DOI:10.1063/1.4770326 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:11 AU: Craciun, F.;Galassi, C.;Birjega, R.;
7:1:1:44 Domain fragmentation during cyclic fatigue in 94%(Bi1/2Na1/2)TiO3-6%BaTiO3
DOI:10.1063/1.4745900 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:12 AU: Simons, Hugh;Glaum, Julia;Daniels, John E.;Studer, Andrew J.;Liess, Andreas;Roedel, Juergen;Hoffman, Mark;
7:1:1:45 The influence of Mn substitution on the local structure of Na0.5Bi0.5TiO3 crystals: Increased ferroelectric ordering and coexisting octahedral tilts
DOI:10.1063/1.3699010 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Yao, Jianjun;Ge, Wenwei;Yan, Li;Reynolds, William T.;Li, Jiefang;Viehland, D.;Kiselev, D. A.;Kholkin, A. L.;Zhang, Qinhui;Luo, Haosu;
7:1:1:46 Giant strain response and structure evolution in (Bi0.5Na0.5)(0.945-x)(Bi0.2Sr0.7 square(0.1))(x)Ba0.055TiO3 ceramics
DOI:10.1016/j.jeurceramsoc.2014.05.032 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:8 AU: Shi, Jing;Fan, Huiqing;Liu, Xiao;Li, Qiang;
7:1:1:47 Phase transitions, relaxor behavior, and large strain response in LiNbO3-modified Bi-0.5(Na0.80K0.20)(0.5)TiO3 lead-free piezoceramics
DOI:10.1063/1.4816047 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:10 AU: Hao, Jigong;Bai, Wangfeng;Li, Wei;Shen, Bo;Zhai, Jiwei;
7:1:1:48 Bifurcated Polarization Rotation in Bismuth-Based Piezoelectrics
DOI:10.1002/adfm.201201564 JN:ADVANCED FUNCTIONAL MATERIALS PY:2013 TC:33 AU: Keeble, Dean S.;Barney, Emma R.;Keen, David A.;Tucker, Matthew G.;Kreisel, Jens;Thomas, Pam A.;
7:1:1:49 Enhanced piezoelectricity and nature of electric-field induced structural phase transformation in textured lead-free piezoelectric Na0.5Bi0.5TiO3-BaTiO3 ceramics
DOI:10.1063/1.4709404 JN:APPLIED PHYSICS LETTERS PY:2012 TC:13 AU: Maurya, Deepam;Pramanick, Abhijit;An, Ke;Priya, Shashank;
7:1:1:50 Tailoring the Piezoelectric and Relaxor Properties of (Bi1/2Na1/2)TiO3-BaTiO3 via Zirconium Doping
DOI:10.1111/jace.12405 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:9 AU: Glaum, Julia;Simons, Hugh;Acosta, Matias;Hoffman, Mark;
7:1:1:51 Tailoring Strain Properties of (0.94-x)Bi1/2Na1/2TiO3-0.06BaTiO(3)-xK(0.5)Na(0.5)NbO(3) Ferroelectric/Relaxor Composites
DOI:10.1111/jace.12783 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:4 AU: Groh, Claudia;Jo, Wook;Roedel, Juergen;
7:1:1:52 Large Electrostrictive Strain in ( Bi0.5Na0.5) TiO3-BaTiO3-( Sr0.7Bi0.2) TiO3 Solid Solutions
DOI:10.1111/jace.12712 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:5 AU: Shi, Jing;Fan, Huiqing;Liu, Xiao;Bell, Andrew J.;
7:1:1:53 Electric-field-induced phase switching in the lead free piezoelectric potassium sodium bismuth titanate
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7:1:1:54 Temperature- and Frequency-Dependent Properties of the 0.75Bi1/2Na1/2TiO3-0.25SrTiO3 Lead-Free Incipient Piezoceramic
DOI:10.1111/jace.12884 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:8 AU: Acosta, Matias;Jo, Wook;Roedel, Juergen;
7:1:1:55 Relaxor to Ferroelectric Transitions in (Bi1/2Na1/2)TiO3-Bi(Zn1/2Ti1/2)O-3 Solid Solutions
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7:1:1:56 Anisotropy of ferroelectric behavior of (1-x)Bi1/2Na1/2TiO3-xBaTiO(3) single crystals across the morphotropic phase boundary
DOI:10.1063/1.4891529 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Schneider, D.;Jo, Wook;Roedel, J.;Rytz, D.;Granzow, T.;
7:1:1:57 Investigation of the depolarisation transition in Bi-based relaxor ferroelectrics
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7:1:1:58 Piezoelectric properties and phase transition temperatures of the solid solution of (1-x)(Bi0.5Na0.5)TiO3-xSrTiO(3)
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7:1:1:59 Effect of poling on nanodomains and nanoscale structure in A-site disordered lead-free piezoelectric Na0.5Bi0.5TiO3-BaTiO3
DOI:10.1039/c4tc01124d JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2014 TC:3 AU: Maurya, Deepam;Pramanick, Abhijit;Feygenson, Mikhail;Neuefeind, Joerg C.;Bodnar, Robert J.;Priya, Shashank;
7:1:1:60 Effect of BiMeO3 on the Phase Structure, Ferroelectric Stability, and Properties of Lead-Free Bi0.5(Na0.80K0.20)0.5TiO3 Ceramics
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7:1:1:61 Large strains accompanying field-induced ergodic phase-polar ordered phase transformations in Bi(Mg0.5Ti0.5)O-3-PbTiO3-(Bi0.5Na0.5)TiO3 ternary system
DOI:10.1016/j.jeurceramsoc.2014.01.040 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:7 AU: Zhao, Wanli;Zuo, Ruzhong;Fu, Jian;Shi, Min;
7:1:1:62 Effect of Nb-donor and Fe-acceptor dopants in (Bi1/2Na1/2)TiO3-BaTiO3-(K0.5Na0.5)NbO3 lead-free piezoceramics
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7:1:1:63 Electric-field-driven monoclinic-to-rhombohedral transformation in Na1/2Bi1/2TiO3
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7:1:1:64 Atomistic origin of huge response functions at the morphotropic phase boundary of (1-x)Na0.5Bi0.5TiO3-xBaTiO(3)
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7:1:1:65 Structural origins of relaxor behavior in a 0.96(Bi1/2Na1/2)TiO3-0.04BaTiO(3) single crystal under electric field
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7:1:1:66 Phase transitional behavior and electric field-induced large strain in alkali niobate-modified Bi-0.5(Na0.80K0.20)(0.5)TiO3 lead-free piezoceramics
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7:1:1:67 Phase transitions, relaxor behavior, and electrical properties in (1-x)(Bi0.5Na0.5)TiO3-x(K0.5Na0.5)NbO3 lead-free piezoceramics
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7:1:1:68 Bipolar and Unipolar Fatigue of Ferroelectric BNT-Based Lead-Free Piezoceramics
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7:1:1:69 Electric-field-induced polarization and strain in 0.94(Bi1/2Na1/2)TiO3-0.06BaTiO(3) under uniaxial stress
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7:1:1:70 Electrical poling below coercive field for large piezoelectricity
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7:1:1:71 Piezoelectric and ferroelectric properties of (Bi1-xNa0.8K0.2Lax)(0.5)TiO3 lead-free ceramics
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7:1:1:72 Ultrahigh electromechanical response in (1-x)(Na0.5Bi0.5)TiO3-xBaTiO(3) single-crystals via polarization extension
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7:1:1:73 Electric-field-temperature phase diagram of the ferroelectric relaxor system (1-x)Bi1/2Na1/2TiO3-xBaTiO(3) doped with manganese
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7:1:1:74 Thermally-induced loss of piezoelectricity in ferroelectric Na0.5Bi0.5TiO3-BaTiO3
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7:1:1:75 Electromechanical strain in Bi(Zn1/2Ti1/2)O-3-(Bi1/2Na1/2)TiO3-(Bi1/2K1/2)TiO3 solid solutions
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7:1:1:76 Effects of Na nonstoichiometry in (Bi0.5Na0.5+x)TiO3 ceramics
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7:1:1:77 Bipolar piezoelectric fatigue of Bi(Zn0.5Ti0.5)O-3-(Bi0.5K0.5)TiO3-(Bi0.5Na0.5)TiO3 Pb-free ceramics
DOI:10.1063/1.4738770 JN:APPLIED PHYSICS LETTERS PY:2012 TC:14 AU: Patterson, Eric A.;Cann, David P.;
7:1:1:78 Temperature dependent switching mechanism of (Pb0.92La0.08)(Zr0.65Ti0.35)O-3 investigated by small and large signal measurements
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7:1:1:79 Antiferroelectric Phase and Pyroelectric Response in (NayBiz)Ti1-xO3(1-x)-xBaTiO(3) Ceramics
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7:1:1:80 Macroscopic and Nanoscopic Polarization Relaxation Kinetics in Lead-Free Relaxors Bi1/2Na1/2TiO3-Bi1/2K1/2TiO3-BiZn1/2Ti1/2O3
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7:1:1:81 Theoretical and experimental investigation of Raman modes, ferroelectric nd dielectric properties of relaxor Na0.5Bi0.5TiO3
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7:1:1:82 Relaxor/Ferroelectric Composites: A Solution in the Quest for Practically Viable Lead-Free Incipient Piezoceramics
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7:1:1:83 Phase Transition, Electrical Properties, and Temperature-Insensitive Large Strain in BiAlO3-Modified Bi-0.5(Na0.75K0.25)(0.5)TiO3 Lead-Free Piezoelectric Ceramics
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7:1:1:84 Piezoelectric and dielectric properties of Bi0.5Na0.5TiO3-Bi0.5K0.5TiO3-Ba0.77Ca0.23TiO3 lead-free piezoelectric ceramics
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7:1:1:85 Role of point defects in bipolar fatigue behavior of Bi(Mg1/2Ti1/2)O-3 modified (Bi1/2K1/2)TiO3-(Bi1/2Na1/2)TiO3 relaxor ceramics
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7:1:1:86 Effects of A-site vacancy on the electrical properties in lead-free non-stoichiometric ceramics Bi0.5+x(Na0.82K0.18)(0.5-3x)TiO3 and Bi0.5+y(Na0.82K0.18)(0.5)TiO3
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7:1:1:87 Ferroelectric-ferroelectric phase coexistence in Na1/2Bi1/2TiO3
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7:1:1:88 Alternating and direct current field effects on the structure-property relationships in Na0.5Bi0.5TiO3-x% BaTiO3 textured ceramics
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7:1:1:89 Origin of high piezoelectric activity in perovskite ferroelectric ceramics
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7:1:1:90 Structural properties of (Bi0.5Na0.5)(1-x)BaxTiO3 lead-free piezoelectric ceramics
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7:1:1:91 Stabilization of the Fatigue-Resistant Phase by CuO Addition in (Bi1/2Na1/2)TiO3-BaTiO3
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7:1:1:92 Preparation and electrical properties of Bi0.5Na0.5TiO3-BaTiO3-KNbO3 lead-free piezoelectric ceramics
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7:1:1:93 The enhanced piezoelectric performance of Bi1/2Na1/2TiO3-BaTiO3 ceramics by Ba0.77Ca0.23TiO3 substitution
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7:1:1:94 Enhanced High-Temperature Piezoelectric Coefficients and Thermal Stability of Fe- and Mn-Substituted Na0.5Bi0.5TiO3 Ceramics
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7:1:1:95 Long ranged structural modulation in the pre-morphotropic phase boundary cubic-like state of the lead-free piezoelectric Na1/2Bi1/2TiO3-BaTiO3
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7:1:1:96 Structural diversity of the (Na1-xKx)(0.5)Bi0.5TiO3 perovskite at the morphotropic phase boundary
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7:1:1:97 Structural stability and depolarization of manganese-doped (Bi0.5Na0.5)(1-x)BaxTiO3 relaxor ferroelectrics
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7:1:1:98 Structure and temperature-dependent phase transitions of lead-free Bi1/2Na1/2TiO3-Bi1/2K1/2TiO3-K0.5Na0.5NbO3 piezoceramics
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7:1:1:99 Large Strain Response in < 001 > Textured 0.79BNT-0.20BKT-0.01NKN Lead-Free Piezoelectric Ceramics
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7:1:1:100 Large Electromechanical Strain in Lead-Free Binary System K0.5Bi0.5TiO3-Bi(Mg0.5Ti0.5)O-3
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7:1:1:101 Structural, electrical, and strain properties of stoichiometric 1-x-y(Bi0.5Na0.5) TiO3-x(Bi0.5K0.5TiO3)-y(Na0.5K0.5)NbO3 solid solutions
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7:1:1:102 Electric-field-induced phase transition and large strain in lead-free Nb-doped BNKT-BST ceramics
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7:1:1:103 The temperature-dependent electrical properties of Bi0.5Na0.5TiO3-BaTiO3-Bi0.5K0.5TiO3 near the morphotropic phase boundary
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7:1:1:104 notRoles of lattice distortion in (1-x)(Bi0.5Na0.5)TiO3-xBaTiO(3) ceramics
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7:1:1:105 Influence of Mn Doping on the Structure and Properties of Na0.5Bi0.5TiO3 Single Crystals
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7:1:1:106 Anomalous phase transitions of lead-free piezoelectric xNa(0.5)Bi(0.5)TiO(3)-(1-x)BaTiO3 solid solutions with enhanced phase transition temperatures
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7:1:1:107 Symmetry and defects in rhombohedral single-crystalline Na0.5Bi0.5TiO3
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7:1:1:108 Inherent optical behavior and structural variation in Na0.5Bi0.5TiO3-6% BaTiO3 revealed by temperature dependent Raman scattering and ultraviolet-visible transmittance
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7:1:1:109 The effect of composite (Li0.5Nd0.5)(2+) ions substitution on microstructure, dielectric behavior and electrical properties of 0.95Bi(0.5)Na(0.5)TiO(3)-0.05BaTiO(3) ceramics
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7:1:1:110 Phase Diagrams and Electromechanical Strains in Lead-Free BNT-Based Ternary Perovskite Compounds
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7:1:1:111 Morphotropic Phase Boundary in Solution- Derived ( Bi0.5Na0.5) 1-xBaxTiO3 Thin Films: Part I Crystalline Structure and Compositional Depth Profile
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7:1:1:112 Frequency-dependence of large-signal properties in lead-free piezoceramics
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7:1:1:113 Polar nanoregions and dielectric properties in high-strain lead-free 0.93(Bi1/2Na1/2)TiO3-0.07BaTiO(3) piezoelectric single crystals
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7:1:1:114 Evolution of structure and electrical properties with lanthanum content in [(Bi1/2Na1/2)(0.95)Ba-0.05](1-x)LaxTiO3 ceramics
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7:1:1:115 Chemical nature of giant strain in Mn-doped 0.94(Na0.5Bi0.5)TiO3-0.06BaTiO(3) lead-free ferroelectric single crystals
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7:1:1:116 Phase diagram and electrostrictive properties of Bi0.5Na0.5TiO3-BaTiO3-K0.5Na0.5NbO3 ceramics
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7:1:1:117 Lead-free ternary perovskite compounds with large electromechanical strains
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7:1:1:118 Electric field induced cubic to monoclinic phase transition in multiferroic 0.65Bi(Ni1/2Ti1/2)O-3-0.35PbTiO(3) solid solution
DOI:10.1063/1.4899058 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Pandey, Rishikesh;Singh, Akhilesh Kumar;
7:1:1:119 Structural, dielectric and piezoelectric properties of (Bi0.5Na0.5)TiO3-(Bi0.5K0.5)TiO3-Bi(Zn0.5Ti0.5)O-3 thin films prepared by sol-gel method
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7:1:1:120 Effect of SrTiO3 template on electric properties of textured BNT-BKT ceramics prepared by templated grain growth process
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7:1:1:121 Large Strain Response in 0.99(Bi0.5Na0.4K0.1)TiO3-0.01(KxNa1-x)NbO3 Lead-Free Ceramics Induced by the Change of K/Na Ratio in (KxNa1-x)NbO3
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7:1:1:122 Tailoring of unipolar strain in lead-free piezoelectrics using the ceramic/ceramic composite approach
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7:1:1:123 Electromechanical strain and bipolar fatigue in Bi(Mg1/2Ti1/2)O-3-(Bi1/2K1/2)TiO3-(Bi1/2Na1/2)TiO3 ceramics
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7:1:1:124 Energy-storage properties of (1-x)Bi0.47Na0.47Ba0.06TiO3-xKNbO(3) lead-free ceramics
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7:1:1:125 Evidence for the suppression of intermediate anti-ferroelectric ordering and observation of hardening mechanism in Na1/2Bi1/2TiO3 ceramics through cobalt substitution
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7:1:1:126 Effect of Mn substituents on the domain and local structures of Na1/2Bi1/2TiO3-BaTiO3 single crystals near a morphotropic phase boundary
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7:1:1:127 Crystallographic direction dependence of direct current field induced strain and phase transitions in Na0.5Bi0.5TiO3-x%BaTiO3 single crystals near the morphotropic phase boundary
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7:1:1:128 Smearing of induced ferroelectric transition and easy imprinting of different polarization configurations in relaxor ferroelectric (Na1/2Bi1/2)(1-x)BaxTiO3
DOI:10.1063/1.4802951 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Craciun, F.;Galassi, C.;
7:1:1:129 Enhanced ferroelectric properties and thermal stability of nonstoichiometric 0.92(Na0.5Bi0.5)TiO3-0.08(K0.5Bi0.5)TiO3 single crystals
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7:1:1:130 Electric field and temperature-induced phase transition in Mn-doped Na1/2Bi1/2TiO3-5.0 at.%BaTiO3 single crystals investigated by micro-Raman scattering
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7:1:1:131 Impedance Spectroscopy of (Bi1/2Na1/2)TiO3-BaTiO3 Ceramics Modified with ( K0.5Na0.5)NbO3
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7:1:1:132 Morphotropic Phase Boundary in Solution- Derived ( Bi0.5Na0.5) 1-xBaxTiO3 Thin Films: Part II Functional Properties and Phase Stability
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7:1:1:133 Ergodicity reflected in macroscopic and microscopic field-dependent behavior of BNT-based relaxors
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7:1:1:134 Imaging planar tetragonal sheets in rhombohedral Na0.5Bi0.5TiO3 using transmission electron microscopy
DOI:10.1016/j.scriptamat.2011.05.031 JN:SCRIPTA MATERIALIA PY:2011 TC:14 AU: Beanland, R.;Thomas, P. A.;
7:1:1:135 Large Piezoresponse and Ferroelectric Properties of (Bi0.5Na0.5)TiO3-(Bi0.5K0.5) TiO3-Bi(Mg0.5Ti0.5)O-3 Thin Films Prepared by Chemical Solution Deposition
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7:1:1:136 Local structure change evidenced by temperature-dependent elastic measurements: Case study on Bi1/2Na1/2TiO3-based lead-free relaxor piezoceramics
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7:1:1:137 Large E-field induced strain and polar evolution in lead-free Zr-doped 92.5%(Bi0.5Na0.5)TiO3-7.5%BaTiO3 ceramics
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7:1:1:138 Effect of Texture on Temperature-Dependent Properties of K0.5Na0.5NbO3 Modified Bi1/2Na1/2TiO3-xBaTiO(3)
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7:1:1:139 Large Strain Response and Fatigue-Resistant Behavior in Ternary Bi0.5Na0.5TiO3-BaTiO3-Bi(Zn0.5Ti0.5)O-3 Solid Solutions
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7:1:1:140 Crystal Structure, dielectric and ferroelectric properties of (Bi0.5Na0.5)TiO3-(Ba,Sr)TiO3 lead-free piezoelectric ceramics
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7:1:1:142 Piezoelectric properties of tetragonal single-domain Mn-doped NBT-6 %BT single crystals
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7:1:1:143 Direct evidence of correlations between relaxor behavior and polar nano-regions in relaxor ferroelectrics: A case study of lead-free piezoelectrics Na0.5Bi0.5TiO3-x%BaTiO3
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7:1:1:144 Orientation dependence on piezoelectric properties of Bi0.5Na0.5TiO3-BaTiO3-SrTiO3 epitaxial thin films
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7:1:1:145 Evolution of structure in Na0.5Bi0.5TiO3 single crystals with BaTiO3
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7:1:1:146 Enhanced Piezoelectric and Dielectric Responses in 92.5%(Bi0.5Na0.5) TiO3-7.5%BaTiO3 Ceramics
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7:1:1:147 Raman spectroscopic study of Na1/2Bi1/2TiO3-x%BaTiO3 single crystals as a function of temperature and composition
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7:1:1:148 Structure and properties of La-modified Na0.5Bi0.5TiO3 at ambient and elevated temperatures
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7:1:1:149 Large blocking force in Bi1/2Na1/2TiO3-based lead-free piezoceramics
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7:1:1:150 Incipient piezoelectrics and electrostriction behavior in Sn-doped Bi-1/2( Na0.82K0.18)(1/2) TiO3 lead-free ceramics
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7:1:1:151 Structure, microstructure and dielectric properties of 100-x(Bi0.5Na0.5)TiO3-x[SrTiO3] composites ceramics
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7:1:1:152 Composition induced structure evolution and large strain response in ternary Bi0.5Na0.5TiO3-Bi0.5K0.5TiO3-SrTiO3 solid solution
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7:1:1:153 Aging in the relaxor and ferroelectric state of Fe-doped (1-x)(Bi1/2Na1/2)TiO3-xBaTiO(3) piezoelectric ceramics
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7:1:1:154 CuO as a sintering additive for (Bi1/2Na1/2)TiO3-BaTiO3-(K0.5Na0.5)NbO3 lead-free piezoceramics
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7:1:1:155 Pressure-induced phase transitions and structure of chemically ordered nanoregions in the lead-free relaxor ferroelectric Na1/2Bi1/2TiO3
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7:1:1:156 Local structure, pseudosymmetry, and phase transitions in Na1/2Bi1/2TiO3-K1/2Bi1/2TiO3 ceramics
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7:1:1:157 Crystal structure of 0.96(Na0.5Bi0.5TiO3)-0.04(BaTiO3) from combined refinement of x-ray and neutron diffraction patterns
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7:1:1:158 Structure, Electrical, and Optical Properties of (Na1/2Bi1/2)TiO3-1.5at.%Bi(Zn1/2Ti1/2)O3 Lead-free Single Crystal Grown by a TSSG Technique
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7:1:1:159 The Relationship Between Phase Structure and Electrical Properties in ( 1-x)( Bi0.5Na0.5TiO3-Ba0.5K0.5TiO3-BaTiO3)-xK0.5Na0.5NbO3 Quaternary Lead- Free Piezoelectric Ceramics
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7:1:1:160 Dielectric and Raman scattering studies of phase transitions in the (100-x)Na0.5Bi0.5TiO3-xSrTiO(3) system
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7:1:1:161 Large strain response based on relaxor-antiferroelectric coherence in Bi0.5Na0.5TiO3-SrTiO3-(K0.5Na0.5)NbO3 solid solutions
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7:1:1:162 Frequency and temperature dependence of actuating performance of Bi1/2Na1/2TiO3-BaTiO3 based relaxor/ferroelectric composites
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7:1:1:163 Synthesis mechanism of grain-oriented lead-free piezoelectric Na0.5Bi0.5TiO3-BaTiO3 ceramics with giant piezoelectric response
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7:1:1:164 Large Electromechanical Response in Lead-Free La-Doped BNKT-BST Piezoelectric Ceramics
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7:1:1:165 Bipolar fatigue-resistant behavior in ternary Bi0.5Na0.5TiO3-BaTiO3-SrTiO3 solid solutions
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7:1:1:166 Dielectric, ferroelectric and electric field-induced strain behavior of Ba(Ti0.90Sn0.10)O-3-modified Bi-0.5(Na0.80K0.20)(0.5)TiO3 lead-free piezoelectrics
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7:1:1:167 Electrocaloric effect based on the depolarization transition in (1-x)Bi0.5Na0.5TiO3-xKNbO(3) lead-free ceramics
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7:1:1:168 The Global and Local Symmetries of Nanostructured Ferroelectric Relaxor 0.94(Bi0.5Na0.5)TiO3-0.06BaTiO(3)
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7:1:1:169 Temperature-Dependent Phase Transitions in the Lead-Free Piezoceramics (1-x - y)(Bi1/2Na1/2)TiO3-xBaTiO(3)-y( K0.5Na0.5)NbO3 Observed by in situ Transmission Electron Microscopy and Dielectric Measurements
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7:1:1:170 Cycling stability of lead-free BNT-8BT and BNT-6BT-3KNN multilayer actuators and bulk ceramics
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7:1:1:171 Ultrahigh ferroelectric response in Fe modified 0.95(Na1/2Bi1/2)TiO3-0.05BaTiO(3) single crystals
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7:1:1:172 Electric field-induced deformation behavior in mixed Bi0.5Na0.5TiO3 and Bi-0.5(Na0.75K0.25)(0.5)TiO3-BiAlO3
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7:1:1:173 Effect of lattice occupation behavior of Li+ cations on microstructure and electrical properties of (Bi1/2Na1/2)TiO3-based lead-free piezoceramics
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7:1:1:174 Enhanced electrostricitive properties and thermal endurance of textured (Bi0.5Na0.5)TiO3-BaTiO3-(K0.5Na0.5)NbO3 ceramics
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7:1:1:175 Field-induced strain and polarization response in lead-free Bi-1/2(Na0.80K0.20)(1/2)TiO3-SrZrO3 ceramics
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7:1:1:176 Large electrostrictive strain in lead-free Bi0.5Na0.5TiO3-BaTiO3-KNbO3 ceramics
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7:1:1:177 0.40% Bipolar Strain in Lead Free BNT-KNN System Modified with Li, Ta and Sb
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7:1:1:181 Microstructural and electrical properties of Na1/2Bi1/2TiO3-(Na1/4Bi3/4)(Mg1/4Ti3/4)O-3 piezoelectric ceramics
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7:1:1:184 Large strain under a low electric field in lead-free bismuth-based piezoelectrics
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7:1:1:185 Dielectric, ferroelectric and field-induced strain behavior of K0.5Na0.5NbO3-modified Bi-0.5(Na0.78K0.22)(0.5)TiO3 lead-free ceramics
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7:1:1:189 Phase coexistence and the structure of the morphotropic phase boundary region in (1-x)Bi(Mg1/2Zr1/2) O3-xPbTiO3 piezoceramics
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7:1:1:190 Mechanical confinement for improved energy storage density in BNT-BT-KNN lead-free ceramic capacitors
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7:1:1:191 Energy storage properties of (1-x)(Bi0.5Na0.5)TiO3-xKNbO(3) lead-free ceramics
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7:1:1:192 Electrical and luminescence properties of Er-doped Bi0.5Na0.5TiO3 ceramics
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7:1:1:193 Phase coexistence and Mn-doping effect in lead-free ferroelectric (Na1/2Bi1/2)TiO3 crystals
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7:1:1:194 Orthorhombic-tetragonal phase coexistence and enhanced piezo-response at room temperature in Zr, Sn, and Hf modified BaTiO3
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7:1:1:195 Effects of sintering temperature and poling conditions on the electrical properties of Bi-0.50(Na0.70K0.20Li0.10)(0.50)TiO3 piezoelectric ceramics
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7:1:1:197 Optical properties of an epitaxial Na0.5Bi0.5TiO3 thin film grown by laser ablation: Experimental approach and density functional theory calculations
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7:1:1:198 Electric field induced polarization and strain of Bi-based ceramic composites
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7:1:1:199 BNT-based multilayer device with large and temperature independent strain made by a water-based preparation process
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7:1:1:200 Band gap modification and ferroelectric properties of Bi-0.5(Na,K)(0.5)TiO3-based by Li substitution
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7:1:1:201 Dielectric, ferroelectric, and field-induced strain properties of Ta-doped 0.99Bi(0.5)(Na0.82K0.18)(0.5)TiO3-0.01LiSbO(3) ceramics
DOI:10.1007/s10853-014-8024-7 JN:JOURNAL OF MATERIALS SCIENCE PY:2014 TC:4 AU: Zaman, A.;Iqbal, Y.;Hussain, A.;Kim, M. H.;Malik, R. A.;
7:1:1:202 Effects of Bi nonstoichiometry in (Bi0.5+xNa) TiO3 ceramics
DOI:10.1063/1.3525370 JN:APPLIED PHYSICS LETTERS PY:2011 TC:15 AU: Sung, Y. S.;Kim, J. M.;Cho, J. H.;Song, T. K.;Kim, M. H.;Park, T. G.;
7:1:1:203 Microstructure, ferroelectric, and piezoelectric properties of (1 - x - y)Bi0.5Na0.5TiO3-xBaTiO(3)-yBi(0.5)Ag(0.5)TiO(3) lead-free ceramics
DOI:10.1016/j.jallcom.2010.09.062 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:10 AU: Wu, Lang;Xiao, Dingquan;Zhou, Fei;Teng, Yuancheng;Li, Yuxiang;
7:1:1:204 Large strain response in acceptor- and donor-doped Bi0.5Na0.5TiO3-based lead-free ceramics
DOI:10.1007/s10853-011-5523-7 JN:JOURNAL OF MATERIALS SCIENCE PY:2011 TC:9 AU: Li, Jiaming;Wang, Feifei;Leung, Chung Ming;Or, Siu Wing;Tang, Yanxue;Chen, Xinman;Wang, Tao;Qin, Xiaomei;Shi, Wangzhou;
7:1:1:205 Short range polar state transitions and deviation from Rayleigh-type behaviour in Bi0.5Na0.5TiO3-based perovskites
DOI:10.1063/1.4895559 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Viola, Giuseppe;Tan, Yongqiang;McKinnon, Ruth Agnes;Wei, Xiaoyong;Yan, Haixue;Reece, Michael John;
7:1:1:206 The effects of sintering atmosphere on microstructures and electrical properties of lead-free (Bi0.5Na0.5)TiO3-based ceramics
DOI:10.1016/j.ceramint.2014.02.034 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Chen, Cheng-Sao;Chen, Pin-Yi;Tu, Chi-Shun;Chang, Ting-Lun;Chai, Chih-Kang;
7:1:1:207 Influence of BaTiO3 Content on the Structure and Properties of Na0.5Bi0.5TiO3 Crystals
DOI:10.1111/j.1551-2916.2011.04433.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:9 AU: Ge, Wenwei;Cao, Hu;DeVreugd, Christopher;Li, Jiefang;Viehland, Dwight;Zhang, Qinhui;Luo, Haosu;
7:1:1:208 Ferroelectric, electromechanical, and dielectric properties of (Na0.5Bi0.5)(0.94)Ba0.06TiO3 co-doped MnO2 and La2O3 lead-free ceramics
DOI:10.1007/s10853-013-7694-x JN:JOURNAL OF MATERIALS SCIENCE PY:2014 TC:0 AU: Li, Qiang;Wang, Hairong;Fan, Huiqing;Long, Changbai;Liu, Xiao;
7:1:1:209 Lead-free Bi-1/2(Na0.82K0.18)(1/2)TiO3 relaxor ferroelectrics with temperature insensitive electrostrictive coefficient
DOI:10.1016/j.ceramint.2012.10.046 JN:CERAMICS INTERNATIONAL PY:2013 TC:4 AU: Vu Diem Ngoc Tran;Thi Hinh Dinh;Han, Hyoung-Su;Jo, Wook;Lee, Jae-Shin;
7:1:1:210 Composition and temperature-induced structure evolution in Bi0.5Na0.5TiO3-based solid solutions
DOI:10.1007/s10853-011-5796-x JN:JOURNAL OF MATERIALS SCIENCE PY:2012 TC:6 AU: Wang, Feifei;Xu, Min;Leung, Chung Ming;Tang, Yanxue;Wang, Tao;Chen, Xinman;Shi, Wangzhou;
7:1:1:211 Field induced strain response of lead-free BaZrO3-modified Bi0.5Na0.5TiO3-BaTiO3 ceramics
DOI:10.1016/j.jallcom.2014.01.031 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:7 AU: Rahman, Jamil Ur;Hussain, Ali;Maqbool, Adnan;Ryu, Gyung Hyun;Song, Tae Kwon;Kim, Won-Jeong;Kim, Myong Ho;
7:1:1:212 Structural observation of piezoelectric inhomogeneity in a mixed-orientation Na0.5Bi0.5TiO3 perovskite thin film
DOI:10.1063/1.4904458 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Carbone, D.;Pateras, A. I.;Bussone, G.;Evans, P. G.;Cornelius, T. W.;Bousquet, M.;Boulle, A.;Gautier, B.;Duclere, J. R.;
7:1:1:213 Structure and Dielectric Properties of Na1/2Bi1/2TiO3-BaTiO3 Solid Solutions
DOI:10.1080/00150193.2013.821382 JN:FERROELECTRICS PY:2013 TC:0 AU: Dunce, M.;Birks, E.;Antonova, M.;Plaude, A.;Ignatans, R.;Sternberg, A.;
7:1:1:214 Dielectric and Raman Spectroscopic Studies of Na0.5Bi0.5TiO3-BaSnO3 Ferroelectric System
DOI:10.1111/jace.12838 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:3 AU: Tripathy, Satya Narayan;Mishra, Karuna Kara;Sen, Shrabanee;Pradhan, Dillip K.;
7:1:1:215 A correlated electron diffraction, in situ neutron diffraction and dielectric properties investigation of poled (1-x)Bi0.5Na0.5TiO3-xBaTiO(3) ceramics
DOI:10.1063/1.3654140 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:8 AU: Wang, Jian;Liu, Yun;Withers, Ray L.;Studer, Andrew;Li, Qian;Noren, Lasse;Guo, Yiping;
7:1:1:216 Large electrostrictive effect in ternary Bi0.5Na0.5TiO3-based solid solutions
DOI:10.1063/1.4811812 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Wang, Feifei;Jin, Chengchao;Yao, Qirong;Shi, Wangzhou;
7:1:1:217 Ferroelectric domain evolution in 0.9625Bi(0.5)Na(0.5)TiO(3)-0.0375BiZn(0.5)Ti(0.5)O(3) piezoceramic
DOI:10.1016/j.ceramint.2014.05.118 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Chen, Xiaomin;Xu, Xijun;Yuan, Guoliang;Lu, Ming-Hui;Zhang, Shan-Tao;Yin, Jiang;Liu, Zhiguo;
7:1:1:218 Poling effect on d(33) in textured Bi0.5Na0.5TiO3-based materials
DOI:10.1016/j.scriptamat.2012.10.047 JN:SCRIPTA MATERIALIA PY:2013 TC:6 AU: Fancher, Chris M.;Blendell, John E.;Bowman, Keith J.;
7:1:1:219 Structural and electrical properties of BKT rich Bi0.5K0.5TiO3-K0.5Na0.5NbO3 system
DOI:10.1063/1.4796166 JN:AIP ADVANCES PY:2013 TC:1 AU: Singh, Amrita;Chatterjee, Ratnamala;
7:1:1:220 Morphotropic phase boundary and electrical properties of 1-x[Bi0.5Na0.5]TiO3 -xBa[Zr0.25Ti0.75]O-3 lead-free piezoelectric ceramics
DOI:10.1016/j.ceramint.2012.11.080 JN:CERAMICS INTERNATIONAL PY:2013 TC:9 AU: Parija, B.;Badapanda, T.;Rout, S. K.;Cavalcante, L. S.;Panigrahi, S.;Longo, E.;Batista, N. C.;Sinha, T. P.;
7:1:1:221 Structure and electrical properties of 0.85(Bi0.5Na0.5)TiO3-0.12BaTiO(3)-0.03SrTiO(3) ferroelectric ceramics
DOI:10.1016/j.jeurceramsoc.2013.04.036 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:2 AU: Mgbemere, Henry E.;Fernandes, Rodrigo P.;Schneider, Gerold A.;
7:1:1:222 Theoretical prediction of morphotropic compositions in Na1/2Bi1/2TiO3-based solid solutions from transition pressures
DOI:10.1103/PhysRevB.89.054105 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Groeting, Melanie;Albe, Karsten;
7:1:1:223 Inference of oxygen vacancies in hydrothermal Na0.5Bi0.5TiO3
DOI:10.1063/1.4755882 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: O'Brien, Aoife;Woodward, David I.;Sardar, Kripasindhu;Walton, Richard I.;Thomas, Pam A.;
7:1:1:224 Synthesis, dielectric and relaxation behavior of lead free NBT-BT ceramics
DOI:10.1016/j.ceramint.2012.06.063 JN:CERAMICS INTERNATIONAL PY:2013 TC:8 AU: Sundari, S. Shanmuga;Kumar, Binay;Dhanasekaran, R.;
7:1:1:225 Ferroelectric, dielectric properties and large strain response in Zr-modified (Bi0.5Na0.5)TiO3-BaTiO3 lead-free ceramics
DOI:10.1016/j.ceramint.2013.11.066 JN:CERAMICS INTERNATIONAL PY:2014 TC:8 AU: Jin, C. C.;Wang, F. F.;Yao, Q. R.;Tang, Y. X.;Wang, T.;Shi, W. Z.;
7:1:1:226 A family of oxide ion conductors based on the ferroelectric perovskite Na0.5Bi0.5TiO3
DOI:10.1038/NMAT3782 JN:NATURE MATERIALS PY:2014 TC:35 AU: Li, Ming;Pietrowski, Martha J.;De Souza, Roger A.;Zhang, Huairuo;Reaney, Ian M.;Cook, Stuart N.;Kilner, John A.;Sinclair, Derek C.;
7:1:1:227 The influence of Ti-nonstoichiometry in Bi0.5Na0.5TiO3
DOI:10.1016/j.jeurceramsoc.2013.10.010 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:2 AU: Naderer, Michael;Kainz, Theresa;Schuetz, Denis;Reichmann, Klaus;
7:1:1:228 The effects of aliovalent cations doping on electric-field-induced strain and microstructures of (Bi0.5Na0.5)(0.94)Ba0.06TiO3 lead-free piezoceramics
DOI:10.1016/j.ceramint.2012.10.048 JN:CERAMICS INTERNATIONAL PY:2013 TC:4 AU: Chen, Pin-Yi;Chou, Chen-Chia;Chen, Cheng Nan;Chen, Cheng-Sao;Chen, Haydn;
7:1:1:229 A-site occupancy in the lead-free (Bi1/2Na1/2TiO3)(0.94)-(BaTiO3)(0.06) piezoceramic: Combining first-principles study and TEM
DOI:10.1063/1.3437631 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Kling, Jens;Hayn, Silke;Schmitt, Ljubomira A.;Groeting, Melanie;Kleebe, Hans-Joachim;Albe, Karsten;
7:1:1:230 Effect of neodymium substitution on structural and ferroelectric properties of BNT ceramics
DOI:10.1016/j.materresbul12013.11.060 JN:MATERIALS RESEARCH BULLETIN PY:2014 TC:5 AU: Pal, Vijayeta;Dwivedi, R. K.;Thakur, O. P.;
7:1:1:231 Effect of composition on electrical properties of lead-free Bi-0.5(Na0.80K0.20)(0.5)TiO3-(Ba0.98Nd0.02)TiO3 piezoelectric ceramics
DOI:10.1063/1.4811813 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Jaita, Pharatree;Watcharapasorn, Anucha;Jiansirisomboon, Sukanda;
7:1:1:232 Lead-free electrostrictive bismuth perovskite ceramics with thermally stable field-induced strains
DOI:10.1016/j.matlet.2011.05.059 JN:MATERIALS LETTERS PY:2011 TC:0 AU: Vu Diem Ngoc Tran;Han, Hyoung-Su;Yoon, Chang-Ho;Lee, Jae-Shin;Jo, Wook;Roedel, Juergen;
7:1:1:233 Structure and strain behavior of < 001 > textured BNT-based ceramics by template grain growth
DOI:10.1016/j.matlet.2013.01.088 JN:MATERIALS LETTERS PY:2013 TC:9 AU: Bai, Wangfeng;Hao, Jigong;Fu, Fang;Li, Wei;Shen, Bo;Zhai, Jiwei;
7:1:1:234 The effect of a hydrostatic pressure induced phase transformation on the unipolar electrical response of Nb modified 95/5 lead zirconate titanate
DOI:10.1063/1.3677980 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:11 AU: Valadez, J. C.;Sahul, R.;Alberta, E.;Hackenberger, W.;Lynch, C. S.;
7:1:1:235 Phase structure and electrical properties of (0.8-x)BaTiO3-0.2Bi(0.5)Na(0.5)TiO(3)-xBaZrO(3) lead-free piezoceramics
DOI:10.1016/j.jallcom.2011.08.101 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:4 AU: Zhou, Fei;Wu, Lang;Liu, Naiming;Teng, Yuancheng;Li, Yuxiang;Wen, Jianwu;Ren, Xuetan;
7:1:1:236 Lead-free and lead-based ABO(3) perovskite relaxors with mixed-valence A-site and B-site disorder: Comparative neutron scattering structural study of (Na1/2Bi1/2) TiO3 and Pb(Mg1/3Nb2/3)O-3
DOI:10.1103/PhysRevB.88.174115 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:1:1:237 Pulsed laser deposition of lead-free (Na0.5Bi0.5)(1-x)BaxTiO3 ferroelectric thin films with enhanced dielectric properties
DOI:10.1016/j.apsusc.2012.10.094 JN:APPLIED SURFACE SCIENCE PY:2013 TC:6 AU: Andrei, A.;Scarisoreanu, N. D.;Birjega, R.;Dinescu, M.;Stanciu, G.;Craciun, F.;Galassi, C.;
7:1:1:238 Raman Spectroscopy Study of Na1/2Bi1/2TiO3-BaTiO3 Lead-Free Single Crystal Relaxor Piezoelectrics
DOI:10.1080/00150193.2010.482845 JN:FERROELECTRICS PY:2010 TC:4 AU: Gregora, I.;Ondrejkovic, P.;Simon, E.;Berta, M.;Savinov, M.;Hlinka, J.;Luo, H.;Zhang, Q.;
7:1:1:239 Local structural disorder and its influence on the average global structure and polar properties in Na0.5Bi0.5TiO3
DOI:10.1103/PhysRevB.88.224103 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:1:1:240 Relaxor effect on electric field induced large strain in (1-x)(Bi0.5Na0.5) TiO3-xBaTiO3 lead-free piezoceramics
DOI:10.1016/j.ceramint.2013.11.065 JN:CERAMICS INTERNATIONAL PY:2014 TC:3 AU: Chen, Pin-Yi;Chen, Cheng-Sao;Tu, Chi-Shun;Cheng, Chun-Der;Cherng, Jyh-Shiarn;
7:1:1:241 High pressure in situ differential thermal analysis of Na0.5Bi0.5TiO3 phase transitions up to 5 GPa
DOI:10.1016/j.jallcom.2012.03.102 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:3 AU: Xu, Chao;He, Duanwei;Wang, Haikuo;Liu, Chunmei;Yin, Shuai;Wang, Kaixue;Guan, Junwei;Peng, Fang;Kou, Zili;
7:1:1:242 Phase structure and electrical properties of lead-free (1-x)(Bi0.5Na0.5)(0.88)Ba0.12TiO3-xAg(0.9)Li(0.1)NbO(3) piezoelectric ceramics
DOI:10.1016/j.jallcom.2010.07.208 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:4 AU: Wu, Lang;Liu, Naiming;Zhou, Fei;Wu, Wenjuan;Teng, Yuancheng;Li, Yuxiang;
7:1:1:243 Phase transition and electrical properties in the Li-modified Bi0.5Na0.5TiO3-based lead-free ceramics
DOI:10.1007/s10853-011-6052-0 JN:JOURNAL OF MATERIALS SCIENCE PY:2012 TC:2 AU: Wang, Feifei;Xu, Min;Wang, Tao;Tang, Yanxue;Shi, Wangzhou;
7:1:1:244 Poling effect and piezoelectric response in high-strain ferroelectric 0.70Pb(Mg(1/3)Nb(2/3))O(3)-0.30PbTiO(3) crystal
DOI:10.1063/1.3475150 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:5 AU: Chen, H. -Y.;Tu, C. -S.;Hung, C. -M.;Chien, R. R.;Schmidt, V. H.;Ku, C. -S.;Lee, H. -Y.;
7:1:1:245 Dielectric properties in lead-free piezoelectric (Bi0.5Na0.5)TiO3-BaTiO3 single crystals and ceramics
DOI:10.1010/j.jervsgro.2013.09.011 JN:JOURNAL OF CRYSTAL GROWTH PY:2014 TC:3 AU: Chen, C. -S.;Tu, C. S.;Chen, P. -Y.;Ting, Y.;Chiu, S. -J.;Hung, C. M.;Lee, H. -Y;Wang, S. -F.;Anthoninappen, J.;Schmidt, V. H.;Chien, R. R.;
7:1:1:246 Grain-oriented sodium bismuth titanate-based lead-free piezoelectric ceramics prepared using the pulsed strong magnetic field and template grain growth
DOI:10.1063/1.3486474 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:5 AU: Zhao, Jun;Wang, Fajun;Li, Wen;Li, Hui;Zhou, Dongxiang;Gong, Shuping;Hu, Yunxiang;Fu, Qiuyun;
7:1:1:247 Structure, ferroelectric properties, and electric field-induced large strain in lead-free Bi-0.5(Na,K)(0.5)TiO3-(Bi0.5La0.5)AlO3 piezoelectric ceramics
DOI:10.1016/j.ceramint.2011.05.013 JN:CERAMICS INTERNATIONAL PY:2012 TC:8 AU: Ullah, Aman;Ahn, Chang Won;Lee, Sun Young;Kim, Jin Soo;Kim, Ill Won;
7:1:1:248 Structural and Electrical Properties of Mn-doped Na0.5Bi0.5TiO3 Lead-Free Single Crystal
DOI:10.1080/10584587.2013.780141 JN:INTEGRATED FERROELECTRICS PY:2013 TC:2 AU: Chen, Y.;Lam, K. H.;Zhou, D.;Dai, J. Y.;Luo, H. S.;Jiang, X. P.;Chan, H. L. W.;
7:1:1:249 Phase transitions and phase diagram of the ferroelectric perovskite (Na0.5Bi0.5)(1-x)BaxTiO3 by anelastic and dielectric measurements (vol 81, 144124, 2010)
DOI:10.1103/PhysRevB.83.059902 JN:PHYSICAL REVIEW B PY:2011 TC:0 AU: Cordero, F.;Craciun, F.;Trequattrini, F.;Mercadelli, E.;Galassi, C.;
7:1:1:250 Origin of large recoverable strain in 0.94(Bi0.5Na0.5)TiO3-0.06BaTiO(3) near the ferroelectric-relaxor transition (vol 102, 062902, 2013)
DOI:10.1063/1.4795239 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Simons, Hugh;Daniels, John E.;Glaum, Julia;Studer, Andrew J.;Jones, Jacob L.;Hoffman, Mark;
7:1:1:251 Hysteresis of Field-Induced Ferroelectric Transition in Pb(Mg1/3Nb2/3)O-3 Relaxor Ferroelectrics
DOI:10.1080/00150193.2013.821855 JN:FERROELECTRICS PY:2013 TC:2 AU: Novak, N.;Kutnjak, Z.;
7:1:1:252 Dielectric and ferroelectric properties in (Sr,Ni,Na)TiO3 solid solutions
DOI:10.1063/1.3429234 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:1 AU: Ang, Chen;Yu, Zhi;
7:1:1:253 Structure composition correlation in KNN-BT ceramics - An X-ray diffraction and Raman spectroscopic investigation
DOI:10.1016/j.matchemphys.2012.12.082 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2013 TC:3 AU: Singh, Rajan;Kambale, Kaustubh;Kulkarni, Ajit R.;Harendranath, Cs.;
7:1:1:254 Voronoi-based three-dimensional polygonal finite elements for electromechanical problems
DOI:10.1016/j.commatsci.2012.02.049 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2012 TC:1 AU: Jayabal, Kaliappan;Menzel, Andreas;
7:1:1:255 Relaxor Ferroelectric Behavior and Structural Aspects of SrNaBi2Nb3O12 Ceramics
DOI:10.1111/j.1551-2916.2011.04954.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:1 AU: Kumar, Sunil;Ochoa, Diego A.;Eduardo Garcia, Jose;Varma, Kalidindi B. R.;
7:1:1:256 Tailoring of unipolar strain in lead-free piezoelectrics using the ceramic/ceramic composite approach (vol 115, 124108, 2014)
DOI:10.1063/1.4875100 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Khansur, Neamul H.;Groh, Claudia;Jo, Wook;Reinhard, Christina;Kimpton, Justin A.;Webber, Kyle G.;Daniels, John E.;
7:1:1:257 Influence of hydrothermal synthesis conditions on BNT-based piezoceramics
DOI:10.1016/j.jeurceramsoc.2011.04.025 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2011 TC:3 AU: Trelcat, Jean-Francois;d'Astorg, Sophie;Courtois, Christian;Champagne, Philippe;Rguiti, Mohamed;Leriche, Anne;
7:1:1:258 Temperature and Frequency Dependence of Electric Field-Induced Phase Transitions in PMN-0.32PT
DOI:10.1111/jace.12904 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:1 AU: Wooldridge, Jenny;Stewart, Mark;Vecchini, Carlo;Cain, Markys G.;Gutmann, Matthias;Reece, Mike;
7:1:1:259 Area fraction quantification of ferroelectric domain orientations in BaTiO(3) using piezoresponse force microscopy
DOI:10.1063/1.3467531 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:1 AU: Fernandes, Rodrigo P.;Herber, Ralf-Peter;Kunz, Lothar;Mgbemere, Henry E.;Schneider, Gerold A.;
7:1:1:260 Electron paramagnetic resonance investigation of polar nanoregions mobility in the relaxor PbMg1/3Nb2/3O3 and solid solutions PbMg1/3Nb2/3O3 - PbTiO3
DOI:10.1063/1.3675170 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Glinchuk, Maya D.;Laguta, Valentin V.;Yurchenko, Lesya P.;Rosa, Jan;Jastrabik, Lubomir;Eremkin, Vladimir V.;Smotrakov, Valery G.;
7:1:2:1 Organic and inorganic relaxor ferroelectrics with giant electrocaloric effect
DOI:10.1063/1.3501975 JN:APPLIED PHYSICS LETTERS PY:2010 TC:79 AU: Lu, S. G.;Rozic, B.;Zhang, Q. M.;Kutnjak, Z.;Li, Xinyu;Furman, E.;Gorny, Lee J.;Lin, Minren;Malic, B.;Kosec, M.;Blinc, R.;Pirc, R.;
7:1:2:2 Electrocaloric materials for future solid-state refrigeration technologies
DOI:10.1016/j.pmatsci.2012.02.001 JN:PROGRESS IN MATERIALS SCIENCE PY:2012 TC:78 AU: Valant, Matjaz;
7:1:2:3 Comparison of directly and indirectly measured electrocaloric effect in relaxor ferroelectric polymers
DOI:10.1063/1.3514255 JN:APPLIED PHYSICS LETTERS PY:2010 TC:54 AU: Lu, S. G.;Rozic, B.;Zhang, Q. M.;Kutnjak, Z.;Pirc, R.;Lin, Minren;Li, Xinyu;Gorny, Lee;
7:1:2:4 Caloric materials near ferroic phase transitions
DOI:10.1038/NMAT3951 JN:NATURE MATERIALS PY:2014 TC:65 AU: Moya, X.;Kar-Narayan, S.;Mathur, N. D.;
7:1:2:5 Direct measurement of giant electrocaloric effect in BaTiO3 multilayer thick film structure beyond theoretical prediction
DOI:10.1063/1.3430045 JN:APPLIED PHYSICS LETTERS PY:2010 TC:54 AU: Bai, Yang;Zheng, Guangping;Shi, Sanqiang;
7:1:2:6 Giant Electrocaloric Strength in Single-Crystal BaTiO3
DOI:10.1002/adma.201203823 JN:ADVANCED MATERIALS PY:2013 TC:61 AU: Moya, Xavier;Stern-Taulats, Enric;Crossley, Sam;Gonzalez-Alonso, David;Kar-Narayan, Sohini;Planes, Antoni;Manosa, Lluis;Mathur, Neil D.;
7:1:2:7 Enhanced electrocaloric effect in ferroelectric poly(vinylidene-fluoride/trifluoroethylene) 55/45 mol % copolymer at ferroelectric-paraelectric transition
DOI:10.1063/1.3569953 JN:APPLIED PHYSICS LETTERS PY:2011 TC:40 AU: Lu, S. G.;Rozic, B.;Zhang, Q. M.;Kutnjak, Z.;Neese, Bret;
7:1:2:8 Pyroelectric and electrocaloric materials
DOI:10.1039/c2tc00283c JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2013 TC:37 AU: Li, Xinyu;Lu, Sheng-Guo;Chen, Xiang-Zhong;Gu, Haiming;Qiana, Xiao-shi;Zhang, Q. M.;
7:1:2:9 Bridging the Macroscopic and Atomistic Descriptions of the Electrocaloric Effect
DOI:10.1103/PhysRevLett.108.167604 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:24 AU: Ponomareva, I.;Lisenkov, S.;
7:1:2:10 Giant electrocaloric effect in asymmetric ferroelectric tunnel junctions at room temperature
DOI:10.1063/1.4866272 JN:APPLIED PHYSICS LETTERS PY:2014 TC:6 AU: Liu, Yang;Infante, Ingrid C.;Lou, Xiaojie;Dkhil, Brahim;
7:1:2:11 Novel polymer ferroelectric behavior via crystal isomorphism and the nanoconfinement effect
DOI:10.1016/j.polymer.2013.01.035 JN:POLYMER PY:2013 TC:24 AU: Yang, Lianyun;Li, Xinyu;Allahyarov, Elshad;Taylor, Philip L.;Zhang, Q. M.;Zhu, Lei;
7:1:2:12 Prediction of giant elastocaloric strength and stress-mediated electrocaloric effect in BaTiO3 single crystals
DOI:10.1103/PhysRevB.90.104107 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Liu, Yang;Wei, Jie;Janolin, Pierre-Eymeric;Infante, Ingrid C.;Kreisel, Jens;Lou, Xiaojie;Dkhil, Brahim;
7:1:2:13 Electrocaloric effect in a ferroelectric Pb(Zn1/3Nb2/3)O-3-PbTiO3 single crystal
DOI:10.1103/PhysRevB.81.214110 JN:PHYSICAL REVIEW B PY:2010 TC:34 AU: Valant, Matjaz;Dunne, Lawrence J.;Axelsson, Anna-Karin;Alford, Neil McN.;Manos, George;Perantie, Jani;Hagberg, Juha;Jantunen, Heli;Dabkowski, Antoni;
7:1:2:14 Giant Electrocaloric Response Over A Broad Temperature Range in Modifi ed BaTiO 3 Ceramics
DOI:10.1002/adfm.201302386 JN:ADVANCED FUNCTIONAL MATERIALS PY:2014 TC:23 AU: Qian, Xiao-Shi;Ye, Hui-Jian;Zhang, Ying-Tang;Gu, Haiming;Li, Xinyu;Randall, C. A.;Zhang, Q. M.;
7:1:2:15 Tunable temperature dependence of electrocaloric effect in ferroelectric relaxor poly(vinylidene fluoride-trifluoroethylene-chlorofluoroethylene terpolymer
DOI:10.1063/1.3624533 JN:APPLIED PHYSICS LETTERS PY:2011 TC:34 AU: Li, Xinyu;Qian, Xiao-shi;Lu, S. G.;Cheng, Jiping;Fang, Zhao;Zhang, Q. M.;
7:1:2:16 Direct and indirect electrocaloric measurements on < 001 >-PbMg1/3Nb2/3O3-30PbTiO(3) single crystals
DOI:10.1063/1.4730338 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:19 AU: Le Goupil, Florian;Berenov, Andrey;Axelsson, Anna-Karin;Valant, Matjaz;Alford, Neil McN;
7:1:2:17 Next-generation electrocaloric and pyroelectric materials for solid-state electrothermal energy interconversion
DOI:10.1557/mrs.2014.256 JN:MRS BULLETIN PY:2014 TC:5 AU: Alpay, S. Pamir;Mantese, Joseph;Trolier-McKinstry, Susan;Zhang, Qiming;Whatmore, Roger W.;
7:1:2:18 Giant room-temperature barocaloric effect and pressure-mediated electrocaloric effect in BaTiO3 single crystal
DOI:10.1063/1.4873162 JN:APPLIED PHYSICS LETTERS PY:2014 TC:4 AU: Liu, Yang;Wei, Jie;Janolin, Pierre-Eymeric;Infante, Ingrid C.;Lou, Xiaojie;Dkhil, Brahim;
7:1:2:19 Enhanced electrocaloric effect in lead-free BaTi1-xSnxO3 ceramics near room temperature
DOI:10.1063/1.4895615 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Luo, Zhengdong;Zhang, Dawei;Liu, Yang;Zhou, Di;Yao, Yonggang;Liu, Chenqi;Dkhil, Brahim;Ren, Xiaobing;Lou, Xiaojie;
7:1:2:20 Optimized electrocaloric refrigeration capacity in lead-free (1-x)BaZr0.2Ti0.8O3-xBa(0.7)Ca(0.3)TiO(3) ceramics
DOI:10.1063/1.4810916 JN:APPLIED PHYSICS LETTERS PY:2013 TC:9 AU: Bai, Yang;Han, Xi;Qiao, Lijie;
7:1:2:21 Upper bounds on the electrocaloric effect in polar solids
DOI:10.1063/1.3543628 JN:APPLIED PHYSICS LETTERS PY:2011 TC:22 AU: Pirc, R.;Kutnjak, Z.;Blinc, R.;Zhang, Q. M.;
7:1:2:22 Influence of the critical point on the electrocaloric response of relaxor ferroelectrics
DOI:10.1063/1.3641975 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:34 AU: Rozic, Brigita;Kosec, Marija;Ursic, Hana;Holc, Janez;Malic, Barbara;Zhang, Q. M.;Blinc, Robert;Pirc, Rasa;Kutnjak, Zdravko;
7:1:2:23 Abnormal electrocaloric effect of Na0.5Bi0.5TiO3-BaTiO3 lead-free ferroelectric ceramics above room temperature
DOI:10.1016/j.materresbull.2011.07.038 JN:MATERIALS RESEARCH BULLETIN PY:2011 TC:41 AU: Bai, Yang;Zheng, Guang-Ping;Shi, San-Qiang;
7:1:2:24 Electrocaloric effect in relaxor ferroelectrics
DOI:10.1063/1.3650906 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:31 AU: Pirc, R.;Kutnjak, Z.;Blinc, R.;Zhang, Q. M.;
7:1:2:25 Enhanced cooling capacities of ferroelectric materials at morphotropic phase boundaries
DOI:10.1063/1.3595344 JN:APPLIED PHYSICS LETTERS PY:2011 TC:22 AU: Chukka, Rami;Cheah, Jun Wei;Chen, Zuhuang;Yang, P.;Shannigrahi, S.;Wang, Junling;Chen, Lang;
7:1:2:26 Giant Electrocaloric Effect Around T-c
DOI:10.1103/PhysRevLett.109.187604 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:19 AU: Rose, Maimon C.;Cohen, R. E.;
7:1:2:27 A Giant Electrocaloric Effect in Nanoscale Antiferroelectric and Ferroelectric Phases Coexisting in a Relaxor Pb0.8Ba0.2ZrO3 Thin Film at Room Temperature
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7:1:2:28 Electro-caloric effect in 0.45BaZr(0.2)Ti(0.8)O(3)-0.55Ba(0.7)Ca(0.3)TiO(3) single crystal
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7:1:2:29 Giant mechanically-mediated electrocaloric effect in ultrathin ferroelectric capacitors at room temperature
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7:1:2:30 Electric-field-induced dielectric and temperature changes in a < 011 >-oriented Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystal
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7:1:2:31 Orientation dependence of electrocaloric effects in Pb(Zn1/3Nb2/3)-PbTiO3 single crystals
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7:1:2:32 Giant electrocaloric effect in ferroelectric poly(vinylidenefluoride-trifluoroethylene) copolymers near a first-order ferroelectric transition
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7:1:2:33 Combined effects of diffuse phase transition and microstructure on the electrocaloric effect in Ba1-xSrxTiO3 ceramics
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7:1:2:34 Direct measurement of the electrocaloric effect in poly(vinylidene fluoride-trifluoroethylene-chlorotrifluoroethylene) terpolymer films
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7:1:2:35 Electrocaloric effects in spark plasma sintered Ba0.7Sr0.3TiO3-based ceramics: Effects of domain sizes and phase constitution
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7:1:2:36 Giant Room-Temperature Elastocaloric Effect in Ferroelectric Ultrathin Films
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7:1:2:37 A solid-state refrigerator based on the electrocaloric effect
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7:1:2:38 A chip scale electrocaloric effect based cooling device
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7:1:2:39 Giant electrocaloric effect in BaZr0.2Ti0.8O3 thick film
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7:1:2:40 Enhanced electrocaloric and pyroelectric response from ferroelectric multilayers
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7:1:2:41 Impact of critical point on piezoelectric and electrocaloric response in barium titanate
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7:1:2:42 Electrocaloric properties in relaxor ferroelectric (1-x)Pb( Mg1/3Nb2/3)O-3-xPbTiO(3) system
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7:1:2:43 The giant electrocaloric effect and high effective cooling power near room temperature for BaTiO3 thick film
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7:1:2:44 Direct electrocaloric measurements of a multilayer capacitor using scanning thermal microscopy and infra-red imaging
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7:1:2:45 Electro-caloric effect in (Ba1-xCax)(Zr0.05Ti0.95)O-3: A lead-free ferroelectric material
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7:1:2:46 Effect of Ce doping on the electrocaloric effect of SrxBa1-xNb2O6 single crystals
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7:1:2:47 Pyroelectric and electrocaloric effect of < 1 1 1 >-oriented 0.9PMN-0.1PT single crystal
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7:1:2:48 Electro-caloric effect in relaxor and ferroelectric compositions of Pb(Mg(1-x)/3Nb2(1-x)/3Zrx)O-3 ceramics
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7:1:2:49 Effect of domain walls on the electrocaloric properties of Pb(Zr1-x,Ti-x)O-3 thin films
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7:1:2:50 The Electrocaloric Efficiency of Ceramic and Polymer Films
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7:1:2:51 Differential scanning calorimeter and infrared imaging for electrocaloric characterization of poly(vinylidene fluoride-trifluoroethylene-chlorofluoroethylene) terpolymer
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7:1:2:52 Direct characterization of the electrocaloric effects in thin films supported on substrates
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7:1:2:53 Enhanced Electrocaloric Effects in Spark Plasma-Sintered Ba0.65Sr0.35TiO3-Based Ceramics at Room Temperature
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7:1:2:54 Electrocaloric temperature change constrained by the dielectric strength
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7:1:2:55 Electrocaloric effect in ferroelectric polymers
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7:1:2:56 Intrinsic electrocaloric effects in ferroelectric poly(vinylidene fluoride-trifluoroethylene) copolymers: Roles of order of phase transition and stresses
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7:1:2:57 Orientation and phase transition dependence of the electrocaloric effect in 0.71PbMg(1/3)Nb(2/3)O(3)-0.29PbTiO(3) single crystal
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7:1:2:58 Enhanced electrocaloric effect in poly(vinylidene fluoride-trifluoroethylene)-based terpolymer/copolymer blends
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7:1:2:59 Electro-caloric effect in lead-free Sn doped BaTiO3 ceramics at room temperature and low applied fields
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7:1:2:60 Doubling the electrocaloric cooling of poled ferroelectric materials by bipolar cycling
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7:1:2:61 Kinetic electrocaloric effect and giant net cooling of lead-free ferroelectric refrigerants
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7:1:2:62 Multicaloric effect in ferroelectric PbTiO3 from first principles
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7:1:2:63 Anisotropy of the Electrocaloric Effect in Lead-Free Relaxor Ferroelectrics
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7:1:2:64 Large Electrocaloric Effect in a Dielectric Liquid Possessing a Large Dielectric Anisotropy Near the Isotropic-Nematic Transition
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7:1:2:65 Maximizing the number of coexisting phases near invariant critical points for giant electrocaloric and electromechanical responses in ferroelectrics
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7:1:2:66 Direct Measurements of the Giant Electrocaloric Effect in Soft and Solid Ferroelectric Materials
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7:1:2:67 Room temperature electrocaloric effect on PbZr0.8Ti0.2O3 thin film
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7:1:2:68 Giant elastocaloric effect in ferroelectric Ba0.5Sr0.5TiO3 alloys from first-principles
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7:1:2:69 Intrinsic electrocaloric effect in ultrathin ferroelectric capacitors
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7:1:2:70 Effect of surface tension on electrocaloric effects in the ferroelectric nanomaterial with vortex domain structures
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7:1:2:71 Tailoring electrically induced properties by stretching relaxor polymer films
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7:1:2:72 Ferroelectric behavior in the high temperature paraelectric phase in a poly(vinylidene fluoride-co-trifluoroethylene) random copolymer
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7:1:2:73 A nanocomposite approach to tailor electrocaloric effect in ferroelectric polymer
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7:1:2:74 The electrocaloric effect around the orthorhombic-tetragonal first-order phase transition in BaTiO3
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7:1:2:75 Electrocaloric effect in low-crystallinity ferroelectric polymers
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7:1:2:76 Microscopic interpretation of sign reversal in the electrocaloric effect in a ferroelectric PbMg1/3Nb2/3O3-30PbTiO(3) single crystal
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7:1:2:77 Electrocaloric characterization of a poly(vinylidene fluoride-trifluoroethylene-chlorofluoroethylene) terpolymer by infrared imaging
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7:1:2:78 Characterization of the electrocaloric effect and hysteresis loss in relaxor ferroelectric thin films under alternating current bias fields
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7:1:2:79 Dynamic temperature response of electrocaloric multilayer capacitors
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7:1:2:80 An electrocaloric refrigerator without external regenerator
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7:1:2:81 Enhanced electrocaloric effect in lead-free NBT-based ceramics
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7:1:2:82 Experimentally validated finite element model of electrocaloric multilayer ceramic structures
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7:1:2:83 A polymer blend approach to tailor the ferroelectric responses in P(VDF-TrFE) based copolymers
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7:1:2:84 Electrocaloric properties of epitaxial strontium titanate films
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7:1:2:85 Electrocaloric properties of ferroelectric-paraelectric superlattices controlled by the thickness of paraelectric layer in a wide temperature range
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7:1:2:86 Electrocaloric effect in BaTiO3: A first-principles-based study on the effect of misfit strain
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7:1:2:87 Temperature-electric field hysteresis loop of electrocaloric effect in ferroelectricity-Direct measurement and analysis of electrocaloric effect. I
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7:1:2:88 The Electrocaloric Effect in Lead-Free K0.5Na0.5NbO3-SrTiO3 Ceramics
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7:1:2:89 Unification of the negative electrocaloric effect in Bi1/2Na1/2TiO3-BaTiO3 solid solutions by Ba1/2Sr1/2TiO3 doping
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7:1:2:90 Electrical and thermal properties of vinylidene fluoride-trifluoroethylene-based polymer system with coexisting ferroelectric and relaxor states
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7:1:2:91 Large electrocaloric effect induced by the multi-domain to mono-domain transition in ferroelectrics
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7:1:2:92 Large electrocaloric effect of highly (100)-oriented 0.68PbMg(1/3)Nb(2/3)O(3)-0.32PbTiO(3) thin films with a Pb(Zr0.3Ti0.7)O-3/PbOx buffer layer
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7:1:2:93 Theoretical investigation on polar dielectric with large electrocaloric effect as cooling devices
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7:1:2:94 From mesoscopic to global polar order in the uniaxial relaxor ferroelectric Sr0.8Ba0.2Nb2O6
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7:1:2:95 Finite-element optimisation of electrocaloric multilayer capacitors
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7:1:2:96 Aspects of the Electrocaloric Behavior of Ferroelectric Thin Films: A Review of the Predictions of the Landau-Ginzburg Theory
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7:1:2:97 Direct Measurements of the Electrocaloric Effect In Substrate-Free PMN-0.35pt Thick Films on a Platinum Layer
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7:1:2:98 Nonadiabatic direct measurement electrocaloric effect in lead-free Ba,Ca(Zr,Ti)O-3 ceramics
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7:1:2:99 Sizable electrocaloric effect in a wide temperature range tuned by tensile misfit strain in BaTiO3 thin films
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7:1:2:100 Enhanced ferroism in mechanically processed and environmentally friendly Ba0.30Na0.70Ti0.30Nb0.70O3 ceramics
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7:1:2:101 Simulation of chip-size electrocaloric refrigerator with high cooling-power density
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7:1:2:102 Electrocaloric Effect and Dipolar Entropy Change in Ferroelectric Polymers
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7:1:2:103 Electrocaloric Effect in gamma-Irradiated P(VDF-TrFE) Copolymers with Relaxor Features
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7:1:2:104 Electrocaloric Effect in Ferroelectric P(VDF-TrFE) Copolymers
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7:1:2:105 Characteristics and dielectric properties of (Pb0.97-xLa0.02Bax)(Zr0.72Sn0.22Ti0.06)O-3 ceramics
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7:1:2:106 Influencing dielectric properties of relaxor polymer system by blending vinylidene fluoride-trifluoroethylene-based terpolymer with a ferroelectric copolymer
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7:1:2:107 Electric field dependence of the Curie temperature of ferroelectric poly(vinylidenefluoride-trifluoroethylene) co-polymers for pyroelectric energy harvesting
DOI:10.1088/0964-1726/21/2/022001 JN:SMART MATERIALS & STRUCTURES PY:2012 TC:9 AU: Cha, Gilhwan;Ju, Y. Sungtaek;
7:1:2:108 Origin of pyroelectricity in LiNbO3
DOI:10.1103/PhysRevB.83.220103 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Peng, Qing;Cohen, R. E.;
7:1:2:109 Electric-field tunable electrocaloric effects from phase transition between antiferroelectric and ferroelectric phase
DOI:10.1063/1.4862171 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Hao, Xihong;Zhai, Jiwei;
7:1:2:110 Electrocaloric Materials for Cooling Applications
DOI:10.1080/00150193.2012.678147 JN:FERROELECTRICS PY:2012 TC:2 AU: Kar-Narayan, S.;Mathur, N. D.;
7:1:2:111 The Giant Electrocaloric Effect in Inorganic and Organic Ferroelectric Relaxor Systems
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7:1:2:112 Electrocaloric Response in Substrate-Free PMN-0.30PT Thick Films
DOI:10.1080/00150193.2014.893166 JN:FERROELECTRICS PY:2014 TC:0 AU: Rozic, B.;Ursic, H.;Vrabelj, M.;Holc, J.;Malic, B.;Kutnjak, Z.;
7:1:2:113 Effective Hamiltonian methods for predicting the electrocaloric behavior of BaTiO3
DOI:10.1016/j.matlet.2012.08.102 JN:MATERIALS LETTERS PY:2012 TC:9 AU: Beckman, S. P.;Wan, L. F.;Barr, Jordan A.;Nishimatsu, Takeshi;
7:1:2:114 Decoupling electrocaloric effect from Joule heating in a solid state cooling device
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7:1:2:115 Direct Measurements of the Electrocaloric Effect in Bulk PbMg1/3Nb2/3O3 (PMN) Ceramics
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7:1:2:116 Direct Measurements of the Electrocaloric Effect in P(VDF-TrFE) (68/32) Copolymer Ferroelectric Films
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7:1:2:117 Investigations of Cooling Efficiencies in Solid-State Electrocaloric Device
DOI:10.1080/10584587.2012.660852 JN:INTEGRATED FERROELECTRICS PY:2012 TC:3 AU: Chukka, Rami;Shannigrahi, Santirajan;Chen, Lang;
7:1:2:118 Effect of Electric Field on Ferroelectric Phase Transition in BaTiO3 Ferroelectric
DOI:10.1080/15421406.2014.948776 JN:FERROELECTRICS PY:2014 TC:0 AU: Novak, N.;Pirc, R.;Kutnjak, Z.;
7:1:2:119 High Electrocaloric Effect in Ferroelectrics
DOI:10.1080/00150193.2010.505854 JN:FERROELECTRICS PY:2010 TC:6 AU: Birks, E.;Dunce, M.;Sternberg, A.;
7:1:2:120 Electrocaloric and Barocaloric Effects in Some Ferroelectric Hydrosulfates and Triglycinesulfate
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7:1:2:121 Electrocaloric Effect in the Relaxor Ferroelectric Terpolymer P(VDF-TrFE-CFE)
DOI:10.1080/00150193.2011.594743 JN:FERROELECTRICS PY:2011 TC:2 AU: Rozic, B.;Lu, S. G.;Kutnjak, Z.;Neese, B.;Zhang, Q. M.;
7:1:2:122 Barocaloric Effect in Oxyfluorides Rb2KTiOF5 and (NH4)(2)NbOF5
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7:1:2:123 Investigation of the electrocaloric effect in a PbMg1/3Nb2/3O3-PbTiO3 relaxor thin film (vol 95, 182904, 2009)
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7:1:2:124 Performance enhancement of cylindrical ferroelectric transducers
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7:1:2:125 B3LYP investigation of response properties of alkali halides on external static electric fields
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7:1:2:126 Solid-State Cooler: New Opportunities
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7:1:2:127 Electrocaloric Effect in 0.85PMN-0.15PT Thin Films Deposited by Pulsed Laser Deposition
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7:1:2:128 Ferroelectric phase transition effect of doping trifluoroethylene monomer in poly(vinylidene fluoride)
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7:1:2:129 Giant Electrocaloric Effect Around T-c (vol 109, 187604, 2012)
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7:1:2:130 Giant Electrocaloric Effect Around T-c (vol 109, 187604, 2012)
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7:1:3:1 High performance ferroelectric relaxor-PbTiO3 single crystals: Status and perspective
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7:1:3:2 Decoding the Fingerprint of Ferroelectric Loops: Comprehension of the Material Properties and Structures
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7:1:3:3 Relaxor-based ferroelectric single crystals: Growth, domain engineering, characterization and applications
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7:1:3:4 Critical Property in Relaxor-PbTiO3 Single Crystals - Shear Piezoelectric Response
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7:1:3:5 Composition and phase dependence of the intrinsic and extrinsic piezoelectric activity of domain engineered (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) crystals
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7:1:3:6 Ferroelastic aspects of relaxor ferroelectric behaviour in Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 perovskite
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7:1:3:7 Elastic, dielectric, and piezoelectric constants of Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystal poled along [011](c)
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7:1:3:8 A complete set of material properties of single domain 0.26Pb(In1/2Nb1/2)O-3-0.46Pb(Mg1/3Nb2/3)O-3-0.28PbTiO(3) single crystals
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7:1:3:9 Characterization of single domain Pb(In0.5Nb0.5)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 crystals with monoclinic phase
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7:1:3:10 Electromechanical properties of Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals
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7:1:3:11 Temperature dependence of electric-field-induced domain switching in 0.7Pb(Mg1/3Nb2/3)O-3-0.3PbTiO(3) single crystal
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7:1:3:12 Electromechanical properties of tetragonal Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 ferroelectric crystals
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7:1:3:13 Composition and orientation dependence of high electric-field-induced strain in Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals
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7:1:3:14 Phase transition behaviors in relaxor ferroelectric [001]-poled Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals studied by Brillouin light scattering and dielectric spectroscopies
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7:1:3:15 Temperature independent shear piezoelectric response in relaxor-PbTiO3 based crystals
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7:1:3:16 The compositional segregation, phase structure and properties of Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystal
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7:1:3:17 Phase diagram and properties of Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 polycrystalline ceramics
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7:1:3:18 A method based on optical and atomic force microscopes for instant imaging of non-homogeneous electro-mechanical processes and direct estimation of d(ij) coefficients in piezoelectric materials at the local level
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7:1:3:19 Degradation of the remanent ferromagnetic state under the action of ferroelectric relaxation processes in Co/(1-x)PMN-xPT/Co hybrids: Possible implications on cryogenic and room-temperature applications
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7:1:3:20 Electromechanical properties and anisotropy of single- and multi-domain 0.72Pb(Mg1/3Nb2/3)O-3-0.28PbTiO(3) single crystals
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7:1:3:21 Characterization and piezoelectric thermal stability of PIN-PMN-PT ternary ceramics near the morphotropic phase boundary
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7:1:3:22 Investigation of Electromechanical Properties and Related Temperature Characteristics in Domain-Engineered Tetragonal Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 Crystals
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7:1:3:23 Measurements of face shear properties in relaxor-PbTiO3 single crystals
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7:1:3:24 Study of phase transitions in ternary lead indium niobate-lead magnesium niobate-lead titanate relaxor ferroelectric morphotropic single crystals
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7:1:3:25 The Growth and Properties of Relaxor-Based Ferroelectric Single Crystals
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7:1:3:26 Improved thermal stability of [001](c) poled 0.24Pb(In1/2Nb1/2)O-3-0.47Pb (Mg1/3Nb2/3)O-3-0.29PbTiO(3) single crystal with manganese doping
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7:1:3:27 Thickness-Dependent Properties of Relaxor-PbTiO3 Ferroelectrics for Ultrasonic Transducers
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7:1:3:28 Face shear piezoelectric properties of relaxor-PbTiO3 single crystals
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7:1:3:29 Large strain transduction utilizing phase transition in relaxor-ferroelectric Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals
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7:1:3:30 Piezoelectric activity of relaxor-PbTiO3 based single crystals and polycrystalline ceramics at cryogenic temperatures: Intrinsic and extrinsic contributions
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7:1:3:31 Electrostrictive effect in Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) crystals
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7:1:3:32 Investigation of single and multidomain Pb(In0.5Nb0.5)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 crystals with mm2 symmetry
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7:1:3:33 An efficient way to enhance output strain for shear mode Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 crystals: Applying uniaxial stress perpendicular to polar direction
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7:1:3:34 PMN-PT based quaternary piezoceramics with enhanced piezoelectricity and temperature stability
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7:1:3:35 Orientation dependence of piezoelectric properties and mechanical quality factors of 0.27Pb(In1/2Nb1/2)O-3-0.46Pb(Mg1/3Nb2/3)O-3-0.27PbTiO(3):Mn single crystals
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7:1:3:36 Broadband inelastic light scattering study on relaxor ferroelectric Pb(In1/2Nb1/2)-Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals
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7:1:3:37 Recent developments on high Curie temperature PIN-PMN-PT ferroelectric crystals
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7:1:3:38 Piezoelectric single crystal ultrasonic transducers for biomedical applications
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7:1:3:39 High-order face-shear modes of relaxor-PbTiO3 crystals for piezoelectric motor applications
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7:1:3:40 Determination of full set material constants of [011](c) poled 0.72Pb(Mg1/3Nb2/3)O-3-0.28PbTiO(3) single crystal from one sample
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7:1:3:41 Preparation and Characterization of New Pb(Yb1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 Ternary Piezo-/Ferroelectric Crystals
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7:1:3:42 Large signal electromechanical properties of low loss (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) single crystals
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7:1:3:43 Complete set of elastic, dielectric, and piezoelectric constants of [011](C) poled rhombohedral Pb(In0.5Nb0.5)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3: Mn single crystals
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7:1:3:44 Complete Set of Material Constants of < 011 >-Poled Rhombohedral Single-Crystal 0.25Pb(In1/2Nb1/2)O-3-0.47Pb(Mg1/3Nb2/3)O-3-0.28PbTiO(3)
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7:1:3:45 Domain Evolution in PbMg1/3Nb2/3O3-60at%PbTiO3 with Temperature and Electric Field
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7:1:3:46 Tuning the functional properties of PMN-PT single crystals via doping and thermoelectrical treatments
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7:1:3:47 Temperature-induced and electric-field-induced phase transitions in rhombohedral Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 ternary single crystals
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7:1:3:48 Phase transition characteristics of the relaxor-based 0.24PIN-0.51PMN-0.25PT single crystals
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7:1:3:49 High-Performance Ferroelectric Solid Solution Crystals: Pb(In1/2Nb1/2)O-3-Pb(Zn1/3Nb2/3)O-3-PbTiO3
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7:1:3:50 Elastic, dielectric and piezoelectric characterization of single domain PIN-PMN-PT: Mn crystals
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7:1:3:51 Polarization fatigue in Pb(In0.5Nb0.5)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals
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7:1:3:52 Domain size engineering in tetragonal Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 crystals
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7:1:3:53 Giant electro-mechanical energy conversion in [011] cut ferroelectric single crystals
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7:1:3:54 Dielectric and piezoelectric activities in (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) single crystals from 5 K to 300 K
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7:1:3:55 Complete set of material constants of single domain (K, Na)(Nb, Ta)O-3 single crystal and their orientation dependence
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7:1:3:56 Complete matrix properties of [001](c) and [011](c) poled 0.33Pb(In1/2Nb1/2)O-3-0.38Pb(Mg1/3Nb2/3)O-3-0.29PbTiO(3) single crystals
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7:1:3:57 Thermal expansion and phase transition in [001]-oriented 0.69Pb(Mg1/3Nb2/3)O-3-0.31PbTiO(3) single crystal
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7:1:3:58 Phase coexistence and transformations in field-cooled ternary piezoelectric single crystals near the morphotropic phase boundary
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7:1:3:59 In-situ observation of domain wall motion in Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 crystals
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7:1:3:60 Influence of domain size on the scaling effects in Pb(Mg1/3Nb2/3)O-3-PbTiO3 ferroelectric crystals
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7:1:3:61 Enhanced piezoelectric activity and temperature stability of [111]-oriented orthorhombic 0.68Pb(Mg1/3Nb2/3) O-3-0.32PbTiO(3) single crystals by domain size engineering
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7:1:3:62 Structural transitions in [001]/[111]-oriented 0.26Pb(In1/2Nb1/2) O-3-0.46Pb (Mg1/3Nb2/3) O-3-0.28PbTiO(3) single crystals probed via neutron diffraction and electrical characterization
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7:1:3:63 A face-shear mode single crystal ultrasonic motor
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7:1:3:64 Characterization of full set material constants of piezoelectric materials based on ultrasonic method and inverse impedance spectroscopy using only one sample
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7:1:3:65 Temperature dependence of dielectric polarization and strain behaviors for rhombohedral PIMNT single crystal with different crystallographic orientations
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7:1:3:66 Electric-field and temperature induced phase transitions in Pb(Mg1/3Nb2/3)O-3-0.3PbTiO(3) single crystals
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7:1:3:67 Variations of composition and dielectric properties of Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystal along growth direction
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7:1:3:68 Stress dependence of thermally driven pyroelectric charge release during FER-FEO phase transformations in [011] cut relaxor ferroelectric crystals
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7:1:3:69 Piezoelectric property of relaxor-PbTiO3 crystals under uniaxial transverse stress
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7:1:3:70 In-situ neutron diffraction study of Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals under uniaxial mechanical stress
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7:1:3:71 The effect of polar nanoregions on electromechanical properties of relaxor-PbTiO3 crystals: Extracting from electric-field-induced polarization and strain behaviors
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7:1:3:72 Complete set of elastic, dielectric, and piezoelectric coefficients of [-101] poled 0.23Pb(In1/2Nb1/2O3)-0.45Pb(Mg1/3Nb2/3)O-3-0.32PbTiO(3) single crystals
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7:1:3:73 Dielectric, ultraviolet/visible, and Raman spectroscopic investigations of the phase transition sequence in 0.71Pb(Mg1/3Nb2/3)O-3-0.29PbTiO(3) crystals
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7:1:3:74 Hydrostatic piezoelectric properties of [011] poled Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals and 2-2 lamellar composites
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7:1:3:75 Piezoelectric anisotropy of orthorhombic ferroelectric single crystals
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7:1:3:76 The role of tetragonal side morphotropic phase boundary in modified relaxor-PbTiO3 crystals for high power transducer applications
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7:1:3:77 Growth and characterization of lead-free ferroelectric (K,Na,Li)(Nb,Ta,Sb)O-3 single crystal
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7:1:3:78 Elastic stability of high coupling ternary single crystals
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7:1:3:79 Effects of composition and temperature on the large field behavior of [011](C) relaxor ferroelectric single crystals
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7:1:3:80 Complete set of material properties of single domain 0.24Pb(In1/2Nb1/2)O-3-0.49Pb(Mg1/3Nb2/3)O-3-0.27PbTiO(3) single crystal and the orientation effects
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7:1:3:81 Surface load induced electrical impedance shift in relaxor-PbTiO3 crystal piezoelectric resonators
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7:1:3:82 Primary and secondary pyroelectric coefficients of rhombohedral and tetragonal single-domain relaxor-PbTiO3 single crystals
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7:1:3:83 Optical interband transitions in [111] poled relaxor-based ferroelectric 0.24Pb(In1/2Nb1/2)O-3-(0.76-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) single crystal
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7:1:3:84 Complete set of material properties of [011](c) poled 0.24Pb(In1/2Nb1/2)O-3-0.46Pb(Mg1/3Nb2/3)O-3-0.30PbTiO(3) single crystal
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7:1:3:85 Growth of the Relaxor Based Ferroelectric Single Crystals Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 by Vertical Bridgman Technique
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7:1:3:86 Growth and piezo-/ferroelectric properties of PIN-PMN-PT single crystals
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7:1:3:87 Characterization of Pb(In1/2Nb1/2)O-3-PbTiO3 ferroelectric crystals grown by top-seeded solution growth method
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7:1:3:88 Bridgman growth, crystallographic characterization and electrical properties of relaxor-based ferroelectric single crystal PIMNT
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7:1:3:89 Characteristics of electric-field-induced polarization rotation in < 001 >-poled Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals close to the morphotropic phase boundary
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7:1:3:90 Enhanced dielectric, pyroelectric and ferroelectric properties of Mn-doped 0.15Pb(In1/2Nb1/2)O-3-0.55Pb(Mg1/3Nb2/3)O-3-0.30PbTiO(3) single crystals
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7:1:3:91 Phase Diagram and Properties of High T-C/TR-T Pb(In1/2Nb1/2) O-3-Pb(Zn1/3Nb2/3)O-3-PbTiO3 Ferroelectric Ceramics
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7:1:3:92 Pyroelectric properties of rhombohedral and tetragonal Pb(In1/2Nb1/2)-Pb(Mg1/3Nb2/3)-PbTiO3 crystals
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7:1:3:93 Scaling effects of relaxor-PbTiO3 crystals and composites for high frequency ultrasound
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7:1:3:94 Strain modulated magnetization and colossal resistivity of epitaxial La2/3Ca1/3MnO3 film on BaTiO3 substrate
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7:1:3:95 Origin of temperature independent piezoelectric coefficient in Pb(Mg1/3Nb2/3)O-3-BaTiO3-PbTiO3 ceramics
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7:1:3:96 Inconsistencies of the complete sets of electromechanical constants of relaxor-ferroelectric single crystals
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7:1:3:97 Temperature dependence of dielectric and electromechanical properties of (K,Na)(Nb,Ta)O-3 single crystal and corresponding domain structure evolution
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7:1:3:98 Structural Evolution and Properties of 0.3Pb(In1/2Nb1/2)O-3-0.38Pb(Mg1/3Nb2/3)O-3-0.32PbTiO(3) Ferroelectric Ceramics with Different Sintering Times
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7:1:3:99 Growth and characterization of high-Curie temperature Pb(Lu1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 ternary single crystal by modified Bridgman technique
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7:1:3:100 Shear-mode piezoelectric properties of ternary Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals
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7:1:3:101 Microstructure and dielectric relaxation of dipolar defects in Mn-doped (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) single crystals
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7:1:3:102 The hydrostatic pressure dependence of the piezoelectric properties for the barium titanate and lead titanate crystals: Thermodynamic analysis
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7:1:3:103 The strength of PIN-PMN-PT single crystals under bending with a longitudinal electric field
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7:1:3:104 Reduction of electro-optic half-wave voltage of 0.93Pb(Zn1/3Nb2/3)O-3-0.07PbTiO(3) single crystal through large piezoelectric strain
DOI:10.1016/j.optmat.2010.10.047 JN:OPTICAL MATERIALS PY:2011 TC:7 AU: Sun, Enwei;Wang, Zhu;Zhang, Rui;Cao, Wenwu;
7:1:3:105 Optimization of piezoelectric properties for [001](c) poled 0.94Pb(Zn1/3Nb2/3)O-3-0.06PbTiO(3) single crystals
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7:1:3:106 Polarized Raman study on phase transitions in 0.24Pb(In1/2Nb1/2)O-3-0.43Pb(Mg1/3Nb2/3)O-3-0.33PbTiO(3) single crystal
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7:1:3:107 Influence of manganese doping to the full tensor properties of 0.24Pb(In1/2Nb1/2)O-3-0.47Pb(Mg1/3Nb2/3)O-3-0.29PbTiO(3) single crystals
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7:1:3:108 Single domain vs. polydomain [111] 0.72Pb(Mg1/3Nb2/3)O-3-0.28PbTiO(3) single crystal. Polarization switching, dielectric and pyroelectric properties
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7:1:3:109 Residual stress and interface effect on dielectric mechanisms in poled ultrathin relaxor ferroelectric single crystals
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7:1:3:110 Effect of annealing on defect and electrical properties of Mn doped Pb(Mg1/3Nb2/3)O-3-0.28PbTiO(3) single crystals
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7:1:3:111 The MA-type monoclinic phase and its dc electric/temperature responses studies in Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 ternary single crystals by polarized light microscopy
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7:1:3:112 Study on dielectric and piezoelectric properties of 0.7 Pb(Mg1/3Nb2/3)O-3-0.3 PbTiO3 single crystal with nano-patterned composite electrode
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7:1:3:113 Beam-Mode Piezoelectric Properties of Ternary Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 Single Crystals for Medical Linear Array Applications
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7:1:3:114 Micro-Raman study of the microheterogeneity in the M-A-M-C phase transition in 0.67PbMg(1/3)Nb(2/3)O(3)-0.33PbTiO(3) single crystal
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7:1:3:115 Comment on "Complete sets of elastic, dielectric, and piezoelectric properties of flux-grown [011]-poled Pb(Mg1/3Nb2/3)O-3-(28-32)% PbTiO3 single crystals" [Appl. Phys. Lett. 92, 142906 (2008)]
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7:1:3:116 [101]-Oriented Pb(Mg(1/3)Nb(2/3))O(3)-PbTiO(3) Single Crystals Under Electric Loadings: Polarization Rotation Linking M(B), O, and R Phases
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7:1:3:117 The effect of the hydrostatic pressure on the electromechanical properties of ferroelectric rhombohedral single crystals Pb(Mg1/3Nb2/3)-Pb(In1/2Nb1/2)-PbTiO3
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7:1:3:118 PIN-PMN-PT Single-Crystal-Based 1-3 Piezoelectric Composites for Ultrasonic Transducer Applications
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7:1:3:119 Effects of InNbO4 Fabrication on Perovskite PIN-PMN-PT
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7:1:3:120 Anisotropy of the piezoelectric properties of the domain-engineered pseudotetragonal ferroelectric relaxor-PbTiO3 single crystals
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7:1:3:121 Negative Poisson's ratio and piezoelectric anisotropy of tetragonal ferroelectric single crystals
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7:1:3:122 Growth and pyroelectric properties of rhombohedral 0.21Pb(In1/2Nb1/2)O-3-0.49Pb(Mg1/3Nb2/3)O-3-0.3PbTiO(3) ternary single crystals
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7:1:3:123 Pure low-frequency flexural mode of [011](c) poled relaxor-PbTiO3 single crystals excited by k(32) mode
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7:1:3:124 Enhancement of Piezoelectric Properties of PMN-PT Ceramics at Low Temperatures
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7:1:3:125 The quenched state with dominant shear vibration mode originated from domain reconfiguration in [001]-oriented Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals
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7:1:3:126 Growth and domain structures of novel piezoelectric crystals Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3
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7:1:3:127 Domain Structure Evolution and Polarization Degradation of [101]-Oriented 0.74Pb(Mg1/3Nb2/3)O3-0.26PbTiO3 Single Crystal underCyclic Electric Loadings
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7:1:3:128 Temperature and electric field dependence of the dielectric property and domain evolution in [001]-oriented 0.34Pb(In1/2Nb1/2)O-3-0.25Pb(Mg1/3Nb2/3)O-3-0.41PbTiO(3) single crystal
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7:1:3:129 Dielectric properties and thermal induced domain evolution in the piezoelectric single crystal Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3
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7:1:3:130 Stability of domain engineered lead zinc niobate-lead titanate single crystals for 32-mode sound projectors
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7:1:3:131 Deduced property matrices of domain-engineered relaxor single crystals of [110](L)x[001](T) cut: Effects of domain wall contributions and domain-domain interactions
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7:1:3:132 Linear electro-optic properties of relaxor-based ferroelectric 0.24Pb(In1/2Nb1/2)O-3-(0.762-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) single crystals
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7:1:3:133 Complete electroelastic set for the (YXt)-45 degrees cut of a KNbO3 single crystal
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7:1:3:134 Minimization of pyroelectric effects in relaxor-PbTiO3 crystals for piezoelectric sensors
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7:1:3:135 In Situ Domain Structure Observation and Giant Magnetoelectric Coupling for PMN-PT/Terfenol-D Multiferroic Composites
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7:1:3:136 A Pb(In1/2Nb1/2)O-3-Pb(Zn1/3Nb2/3)O-3-PbTiO3 ternary ferroelectric system with high T-C and high piezoelectric properties
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7:1:3:137 Role of Domain Orientations in Forming the Hydrostatic Performance of Novel 2-2 Single Crystal/Polymer Composites
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7:1:3:139 Hydrostatic Piezoelectric Coefficients of the 2-2 Composite Based on [011]-poled 0.71Pb(Mg1/3Nb2/3)O-3-0.29PbTiO(3) Single Crystal
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7:1:3:140 Nonlinear dielectric response in piezoelectric materials for underwater transducers
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7:1:3:141 Phase transitions and electromechanical properties for barium titanate and lead titanate ferroelectric crystals under one-dimensional shock wave compression
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7:1:3:142 Study of Ni-2-Mn-Ga phase formation by magnetron sputtering film deposition at low temperature onto Si substrates and LaNiO3/Pb(Ti,Zr)O-3 buffer
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7:1:3:143 Energy harvesting using multilayer structure based on 0.71Pb(Mg1/3Nb2/3)O-3-0.29PbTiO(3) single crystal
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7:1:3:144 Optical properties and dispersions of rhombohedral 0.24Pb(In1/2Nb1/2)O-3-0.49Pb(Mg1/3Nb2/3)O-3-0.27PbTiO(3) single domain single crystal
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7:1:3:145 Bridgman growth and thermal analysis of Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals
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7:1:3:146 Large pyroelectric response of 0.8Pb(Mg1/3Nb2/3)O-3-0.2PbTiO(3) ceramics prepared by reaction-sintering method
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7:1:3:147 The Change in Domain Structures from Tweed in Rhombohedral Phase to Twin Structure in Orthorhombic One with Stress in Relaxor Ferroelectric Solid Solutions
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7:1:3:148 Interactions of collinear acoustic waves propagating along pure mode directions of crystals
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7:1:3:149 Aging effect evolution during ferroelectric-ferroelectric phase transition: A mechanism study
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7:1:3:150 Stability of domain engineered lead zinc niobate-lead titanate single crystals for 32-mode sound projectors (vol 97, 062903, 2010)
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7:1:3:151 Preparations and characterizations of perovskite 0.80PMN-0.20PT ceramic by using a one-step calcination method
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7:1:3:152 Piezoelectric 36-shear mode for [011] poled 24%Pb(In1/2Nb1/2) O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 ferroelectric crystal
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7:1:3:153 Orientation dependence of electromechanical properties of relaxor based ferroelectric single crystals
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7:1:3:154 Characterization of (Bi0.5Na0.5)(1-x)BaxTiO3 grown by the TSSG method
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7:1:3:155 Investigation on the Thermal Stability of Pb(Mg1/3Nb2/3)O3-PbTiO3 Single Crystals
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7:1:3:156 The Effects of the Poling Conditions on Dielectric and Piezoelectric Properties of Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 Single Crystals with Morphotropic Phase Boundary Composition
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7:1:3:157 Polarisation Orientation Effects and Hydrostatic Parameters in Novel 2-2 Composites Basedon PMN-xPT Single Crystals
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7:1:4:1 Domain Engineering of Lead-Free Li-Modified (K,Na)NbO3 Polycrystals with Highly Enhanced Piezoelectricity
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7:1:4:2 (K, Na) NbO3-Based Lead-Free Piezoceramics: Fundamental Aspects, Processing Technologies, and Remaining Challenges
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7:1:4:3 Antimony Tuned Rhombohedral-Orthorhombic Phase Transition and Enhanced Piezoelectric Properties in Sodium Potassium Niobate
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7:1:4:4 Remarkably Strong Piezoelectricity of Lead-Free (K0.45Na0.55)(0.98)Li-0.02(Nb0.77Ta0.18Sb0.05)O-3 Ceramic
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7:1:4:5 Temperature-Insensitive (K,Na)NbO3-Based Lead-Free Piezoactuator Ceramics
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7:1:4:6 Rhombohedral-Tetragonal Phase Coexistence and Piezoelectric Properties of (NaK)(NbSb)O-3-LiTaO3-BaZrO3 Lead-Free Ceramics
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7:1:4:7 High piezoelectric activity in (Na,K)NbO3 based lead-free piezoelectric ceramics: Contribution of nanodomains
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7:1:4:8 Giant Piezoelectricity in Potassium-Sodium Niobate Lead-Free Ceramics
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7:1:4:9 Giant d(33) in (K,Na)(Nb,Sb)O-3-(Bi,Na,K,Li)ZrO3 based lead-free piezoelectrics with high T-c
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7:1:4:10 Lead-free Piezoelectrics Based on Potassium-Sodium Niobate with Giant d(33)
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7:1:4:11 Enhanced bipolar fatigue resistance in CaZrO3-modified (K,Na) NbO3 lead-free piezoceramics
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7:1:4:12 Enhanced Electromechanical Properties and Temperature Stability of Textured (K0.5Na0.5)NbO3-Based Piezoelectric Ceramics
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7:1:4:13 Construction of new morphotropic phase boundary in 0.94(K0.4-xNa0.6BaxNb1-xZrx)O-3-0.06LiSbO(3) lead-free piezoelectric ceramics
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7:1:4:14 Sintering Effect on Microstructure and Properties of (K,Na)NbO3 Ceramics
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7:1:4:15 Achieving Both Giant d(33) and High T-C in Patassium-Sodium Niobate Ternary System
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7:1:4:16 Microstructural origin for the piezoelectricity evolution in (K0.5Na0.5)NbO3-based lead-free ceramics
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7:1:4:17 Effect of HfO2 content on the microstructure and piezoelectric properties of (Bi0.5Na0.5)(0.94)Ba0.06TiO3 lead-free ceramics
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7:1:4:18 Aging associated domain evolution in the orthorhombic phase of < 001 > textured (K0.5Na0.5)Nb0.97Sb0.03O3 ceramics
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7:1:4:19 Electric field induced intermediate phase and polarization rotation path in alkaline niobate based piezoceramics close to the rhombohedral and tetragonal phase boundary
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7:1:4:20 Orthorhombic to tetragonal phase transition due to stress release in (Li,Ta)-doped(K,Na)NbO3 lead-free piezoceramics
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7:1:4:21 Piezoelectricity of lead-free (K, Na)NbO3 nanoscale single crystals
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7:1:4:22 Mediating the Contradiction of d(33) and T-C in Potassium-Sodium Niobate Lead-Free Piezoceramics
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7:1:4:23 Enhanced d(33) value in (1-x)[(K0.50Na0.50)(0.97)Li0.03Nb0.97Sb0.03O3] - xBaZrO(3) lead-free ceramics with an orthorhombic-rhombohedral phase boundary
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7:1:4:24 Enhanced piezoelectric coefficient of HfO2-modified (K0.44Na0.56)(0.94)Li-0.06(Nb0.94Sb0.06)O-3 lead-free ceramics
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7:1:4:25 Electric field induced phase instability in typical (Na,K)(Nb,Sb)O-3-LiTaO3 ceramics near orthorhombic and tetragonal phase boundary
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7:1:4:26 Low electric-field driven ultrahigh electrostrains in Sb-substituted (Na,K)NbO3 lead-free ferroelectric ceramics
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7:1:4:27 A monoclinic-tetragonal ferroelectric phase transition in lead-free (K0.5Na0.5)NbO3-x%LiNbO3 solid solution
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7:1:4:28 Low-Temperature Sintering of Li-Modified (K, Na)NbO3 Lead-Free Ceramics: Sintering Behavior, Microstructure, and Electrical Properties
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7:1:4:94 Effects of SrTiO3 on dielectric and piezoelectric properties of K0.48Na0.48Li0.04Nb0.96Ta0.04O3-based piezoceramics
DOI:10.1016/j.mseb.2012.11.022 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2013 TC:1 AU: Bafandeh, Mohammad Reza;Abbasi, Mohammad Hasan;Saidi, Ali;Lee, Jae-Shin;
7:1:4:95 Effects of the Domain Size on Local d33 in Tetragonal (Na0.53 K0.45Li0.02)(Nb0.8Ta0.2)O3 Ceramics
DOI:10.1111/j.1551-2916.2012.05445.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:7 AU: Duc-Thang Le;Kwon, So-Jung;Yeom, Na-Ri;Lee, Young-Jin;Jeong, Young-Hun;Chun, Myoung-Pyo;Nam, Joong-Hee;Paik, Jong-Hoo;Kim, Byung-Ik;Cho, Jeong-Ho;
7:1:4:96 Comparative study of the effect of domain structures on piezoelectric properties in three typical Pb-free piezoceramics
DOI:10.1016/j.ceramint.2014.05.070 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Lu, Shengbo;Xu, Zhengkui;Zuo, Ruzhong;
7:1:4:97 The investigation of depoling mechanism of densified KNbO3 piezoelectric ceramic
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7:1:4:98 Influence of rare-earth Nd, Dy, and Ho doping on structural and electrical properties of (Na0.53K0.47)(0.942)Li0.058NbO3 based lead-free piezoceramics
DOI:10.1016/j.ceramint.2013.08.020 JN:CERAMICS INTERNATIONAL PY:2014 TC:3 AU: Zhou, Jing;Ma, Qing;Wang, Pengfei;Cheng, Lijin;Liu, Shaojun;
7:1:4:99 Hydrothermal-assisted synthesis and sintering of K0.5Na0.5NbO3-xLiTaO(3) lead-free piezoelectric ceramics
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7:1:4:100 Textured (K0.5Na0.5)NbO3 ceramics prepared by screen-printing multilayer grain growth technique
DOI:10.1016/j.ceramint.2011.04.102 JN:CERAMICS INTERNATIONAL PY:2012 TC:6 AU: Li, Yali;Hui, Chun;Wu, Mengjia;Li, Yongxiang;Wang, Youliang;
7:1:4:101 Crystal structure, microstructure and electrical properties of (1-x-y)Bi0.5Na0.5TiO3-xBi(0.5)K(0.5)TiO(3)-yBiFeO(3) ceramics near MPB prepared via the combustion technique
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7:1:4:102 Neodymium doping of KNNLT
DOI:10.1016/j.jeurceramsoc.2012.05.025 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:9 AU: Bathelt, R.;Soller, T.;Benkert, K.;Schuh, C.;Roosen, A.;
7:1:4:103 Low-Temperature Sintering of CuO-Doped 0.94(K0.48Na0.535)NbO3-0.06LiNbO(3) Lead-Free Piezoelectric Ceramics
DOI:10.1111/j.1551-2916.2010.04227.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:12 AU: Huang, Rongxia;Zhao, Yuzhen;Zhang, Xiaowen;Zhao, Yongjie;Liu, Rongzheng;Zhou, Heping;
7:1:4:104 An ultrasonic therapeutic transducers using lead-free Na0.5K0.5NbO3-CuNb2O6 ceramics
DOI:10.1016/j.jallcom.2010.07.150 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:9 AU: Yang, Ming-Ru;Chu, Sheng-Yuan;Tsai, Cheng-Che;
7:1:4:105 Structural, dielectric and piezoelectric features of (Na0.52K0.44Li0.04)Nb0.87Sb0.08Ta0.05O3 ceramics
DOI:10.1016/j.matlet.2012.04.013 JN:MATERIALS LETTERS PY:2012 TC:5 AU: Du, Juan;Zang, Guo-Zhong;Yi, Xiu-Jie;Xu, Zhi-Jun;Chu, Rui-Qing;Ban, Chao-Lei;Wei, Yan-Yan;Zhao, Pan-Pan;Wang, Chun-Ming;
7:1:4:106 SmAlO3-modified (K0.5Na0.5)(0.95)Li0.05Sb0.05Nb0.95O3 lead-free ceramics with a wide sintering temperature range
DOI:10.1016/j.mseb.2013.06.013 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2013 TC:1 AU: Du, Juan;Xu, Zhijun;Chu, Ruiqing;Yi, Xiujie;Chao, Wenna;Zhang, Xiaofeng;Zhang, Peiyu;Zheng, Limei;
7:1:4:107 Temperature dependence of the local piezoresponse in (K,Na)NbO3-based ceramics with large electromechanical strain
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7:1:4:108 Large decrease of characteristic frequency of dielectric relaxation associated with domain-wall motion in Sb5+-modified (K,Na)NbO3-based ceramics
DOI:10.1063/1.4773023 JN:APPLIED PHYSICS LETTERS PY:2012 TC:0 AU: Zhang, Jialiang;Hao, Wentao;Gao, Yong;Qin, Yalin;Tan, Yongqiang;Wang, Chunlei;
7:1:4:109 Dielectric and Piezoelectric Properties of Lead-free (Li,Na, K)(Nb,Ta,Sb)O-3 System Ceramics as a Function of Calcination Temperature
DOI:10.1080/00150193.2012.741947 JN:FERROELECTRICS PY:2012 TC:4 AU: Yoo, Juhyun;
7:1:4:110 Phase structure and electrical properties of Yb and Mn co-substituted (K0.48Na0.52)NbO3 lead-free piezoelectric ceramics
DOI:10.1016/j.jallcom.2013.11.057 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Wu, Wenjuan;Chen, Min;Ding, Yingchun;Liu, Chuanqi;
7:1:4:111 New Lead-Free (1 - x)(K0.5Na0.5) NbO3-x(Bi0.5Na0.5)ZrO3 Ceramics with High Piezoelectricity
DOI:10.1111/jace.12836 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:8 AU: Wang, Zhuo;Xiao, Dingquan;Wu, Jiagang;Xiao, Min;Li, Fangxu;Zhu, Jianguo;
7:1:4:112 Giant piezoelectricity of (K,Na)(Nb,Sb)O-3-(Bi,Na,K,Pb)ZrO3 ceramics with rhombohedral-tetragonal (R-T) phase boundary
DOI:10.1016/j.scriptamat.2014.06.001 JN:SCRIPTA MATERIALIA PY:2014 TC:1 AU: Wu, Jiagang;Xiao, Jianqiao;Zheng, Ting;Wang, Xiaopeng;Cheng, Xiaojing;Zhang, Binyu;Xiao, Dingquan;Zhu, Jianguo;
7:1:4:113 Internal bias field relaxation in poled Mn-doped Pb(Mn1/3Sb2/3)O-3-Pb (Zr,Ti)O-3 ceramics
DOI:10.1016/j.ceramint.2013.03.023 JN:CERAMICS INTERNATIONAL PY:2013 TC:1 AU: Du, Gang;Liang, Ruihong;Wang, Li;Li, Kui;Zhang, Wenbin;Wang, Genshui;Dong, Xianlin;
7:1:4:114 Dielectric and piezoelectric properties of SrZrO3-modified (K0.45Na0.51Li0.04)(Nb0.90Ta0.04Sb0.06)O-3 lead-free piezoceramics
DOI:10.1016/j.matlet.2013.04.052 JN:MATERIALS LETTERS PY:2013 TC:1 AU: Du, Haiwei;Huang, Yanqiu;Tang, Hongping;Qin, Haina;Feng, Wei;
7:1:4:115 Influence of domain orientation on the mechanical properties of lead zirconate titanate piezoelectric ceramics
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7:1:4:116 Relationships between crystal structure and electrical properties of Li-0.055[Ag-x(K0.5Na0.5)(1-x)](0.945)(Nb1-yTay)O-3 ceramics
DOI:10.1016/j.ceramint.2011.04.112 JN:CERAMICS INTERNATIONAL PY:2012 TC:3 AU: Seo, Seock No;Cho, Jeong Ho;Kim, Byung Ik;Kim, Eung Soo;
7:1:4:117 0.99(K0.45Na0.52Li0.03)(Nb1-xSbx)O-3-0.01BiScO(3) lead-free ceramics with excellent piezoelectric properties and broad sintering temperature
DOI:10.1016/j.ceramint.2013.11.113 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Liu, Chao;Xiao, Dingquan;Huang, Tao;Wu, Jiagang;Li, Fangxu;Zhu, Jianguo;
7:1:4:118 Effect of SrZrO3 on phase structure and electrical properties of 0.974(K0.5Na0.5)NbO3-0.026Bi(0.5)K(0.5)TiO(3) lead-free ceramics
DOI:10.1016/j.ceramint.2013.10.048 JN:CERAMICS INTERNATIONAL PY:2014 TC:3 AU: Huang, Tao;Xiao, Dingquan;Liu, Chao;Li, Fangxu;Wu, Bo;Wu, Jiagang;Zhu, Jianguo;
7:1:4:119 Composition induced rhombohedral-tetragonal phase boundary in BaZrO3 modified (K0.445Na0.50Li0.055)NbO3 lead-free ceramics
DOI:10.1016/j.matlet.2014.01.096 JN:MATERIALS LETTERS PY:2014 TC:2 AU: Liu, Chao;Xiao, Dingquan;Huang, Tao;Wu, Jiagang;Li, Fangxu;Wu, Bo;Zhu, Jianguo;
7:1:4:120 Roles of Li and Ta in Pb-free piezoelectric (Na,K)NbO3 ceramics
DOI:10.1063/1.4897642 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Sung, Y. S.;
7:1:4:121 Effect of tetragonal perovskite phase addition on the electrical properties of KNN thick films fabricated by aerosol deposition
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7:1:4:122 Good temperature stability and high piezoelectric properties of pure and La-doped tetragonal (K0.45Na0.55)(0.94)Li-0.06 center dot TaxNb1-xO3 ceramics
DOI:10.1016/j.jeurceramsoc.2014.06.033 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:2 AU: Li, Huan;Meng, Qingxin;Gong, Dewei;Tian, Hao;Zhou, Zhongxiang;
7:1:4:123 Temperature stability, phase structure and electrical behavior of Li-modified 0.99(K0.48Na0.52)NbO3-0.01BiCoO(3) piezoelectric ceramics
DOI:10.1016/j.ceramint.2013.06.114 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Wu, Wenjuan;Xiao, Dingquan;Ma, Jian;Wu, Jiagang;Li, Jing;Liang, Wenfeng;
7:1:4:124 High Piezoelectric Properties of KNN-Based Thick Films with Abnormal Grain Growth
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7:1:4:125 Hot-stage transmission electron microscopy study of (Na, K)NbO3 based lead-free piezoceramics (vol 105, 042904, 2014)
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7:1:4:126 Fabrication of 1-3 connectivity (Ba0.95Pb0.05)(Ti0.99Co0.01) O-3/monothane-A70 composites by die-pressing method and their electrical characterizations
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7:1:4:127 Fabrication and characterization of Na0.5K0.5NbO3-CuNb2O6 lead-free step-down piezoelectric transformers
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7:1:4:128 Effects of Li content on the phase structure and electrical properties of lead-free (Ag0.85-xLixNa0.1K0.05)NbO3 piezoelectric ceramics
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7:1:4:129 Electrical Properties of Textured (KNa)(0.44)Li0.06Nb0.84Sb0.06Ta0.1O3 Thick Films
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7:1:4:130 Thermal Properties and Phase Transition Behavior of KNN-AN Piezoelectric Ceramics
DOI:10.1080/00150193.2011.594762 JN:FERROELECTRICS PY:2011 TC:1 AU: Shi, Jing;Fan, Huiqing;
7:1:4:131 Electrical properties of [Li-0.04(K0.5Na0.5)(0.96-x)Ag-x](Nb1-ySby)O-3 ceramics
DOI:10.1016/j.ceramint.2011.04.115 JN:CERAMICS INTERNATIONAL PY:2012 TC:1 AU: Lee, J. K.;Kim, J. H.;Cho, J. H.;Kim, B. I.;Kim, E. S.;
7:1:4:132 Electrical Properties of CuO-doped (K0.5Na0.5)(Nb0.92Sb0.03Ta0.05)O-3 Piezoelectric Ceramics with High Q(m)
DOI:10.1080/00150193.2013.849970 JN:FERROELECTRICS PY:2014 TC:0 AU: Liu, Chao;Xiao, Ding-Quan;Wu, Jia-Gang;Wang, Zhuo;Li, Fang-Xu;Huang, Tao;Zhu, Jian-Guo;
7:1:4:133 Piezoelectric Properties of (1-x)(K0.52Na0.48)(1-x)LixNbO3-x(Bi0.5Na0.5)(0.9)Ca0.1TiO3 with Higher Curie Temperature
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7:1:4:134 Processing and electromechanical properties of lanthanum-doped Pb(Zr,Ti)O-3 extruded piezoelectric fibres
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7:1:4:135 Microstructural, piezoelectric properties and temperature stability in Li-0.02(Na0.55K0.45)(0.98)[(Nb0.77Ta0.18Sb0.05)(1-) Cu-2x/5(x)]O-3 ceramics for piezoelectric actuator
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7:1:4:136 Piezoelectric and dielectric properties of 0.98(Na0.5K0.5)NbO3-0.02Ba(ZrxTi(1-x))O-3 ceramics
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7:1:4:137 Effect of Changing Na/K Ratio on Structure and Electrical Properties of (NaxKy) (Nb0.885Sb0.08)-0.035LiTaO(3) Lead-Free Piezoelectric Ceramics (vol 94, pg 1683, 2011)
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7:1:5:1 A morphotropic phase boundary system based on polarization rotation and polarization extension
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7:1:5:2 Microstructure basis for strong piezoelectricity in Pb-free Ba(Zr0.2Ti0.8)O-3-(Ba0.7Ca0.3)TiO3 ceramics
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7:1:5:3 Elastic, piezoelectric, and dielectric properties of Ba(Zr0.2Ti0.8)O-3-50(Ba0.7Ca0.3)TiO3 Pb-free ceramic at the morphotropic phase boundary
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7:1:5:4 Elastic, dielectric, and piezoelectric anomalies and Raman spectroscopy of 0.5Ba(Ti0.8Zr0.2)O-3-0.5(Ba0.7Ca0.3)TiO3
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7:1:5:5 Revised structural phase diagram of (Ba0.7Ca0.3TiO3)-(BaZr0.2Ti0.8O3)
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7:1:5:6 Phase coexistence and ferroelastic texture in high strain (1-x)Ba(Zr0.2Ti0.8)O-3-x(Ba0.7Ca0.3)TiO3 piezoceramics
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7:1:5:7 Structure and phase transitions in 0.5(Ba0.7Ca0.3TiO3)-0.5(BaZr0.2Ti0.8O3) from -100 degrees C to 150 degrees C
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7:1:5:8 Composition and poling condition-induced electrical behavior of (Ba0.85Ca0.15)(Ti1-xZrx)O-3 lead-free piezoelectric ceramics
DOI:10.1016/j.jeurceramsoc.2011.11.003 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:57 AU: Wu, Jiagang;Xiao, Dingquan;Wu, Wenjuan;Chen, Qiang;Zhu, Jianguo;Yang, Zhengchun;Wang, John;
7:1:5:9 Triple-point-type morphotropic phase boundary based large piezoelectric Pb-free material-Ba(Ti0.8Hf0.2)O-3-(Ba0.7Ca0.3)TiO3
DOI:10.1063/1.4724216 JN:APPLIED PHYSICS LETTERS PY:2012 TC:26 AU: Zhou, Chao;Liu, Wenfeng;Xue, Dezhen;Ren, Xiaobing;Bao, Huixin;Gao, Jinghui;Zhang, Lixue;
7:1:5:10 Phase transitions and the piezoelectricity around morphotropic phase boundary in Ba(Zr0.2Ti0.8)O-3-x(Ba0.7Ca0.3)TiO3 lead-free solid solution
DOI:10.1063/1.4899125 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Zhang, Le;Zhang, Ming;Wang, Liang;Zhou, Chao;Zhang, Zhen;Yao, Yonggang;Zhang, Lixue;Xue, Dezhen;Lou, Xiaojie;Ren, Xiaobing;
7:1:5:11 Unique single-domain state in a polycrystalline ferroelectric ceramic
DOI:10.1103/PhysRevB.89.100104 JN:PHYSICAL REVIEW B PY:2014 TC:4 AU: Guo, Hanzheng;Zhou, Chao;Ren, Xiaobing;Tan, Xiaoli;
7:1:5:12 Relationship between electromechanical properties and phase diagram in the Ba(Zr0.2Ti0.8)O-3-x(Ba0.7Ca0.3)TiO3 lead-free piezoceramic
DOI:10.1016/j.actamat.2014.07.058 JN:ACTA MATERIALIA PY:2014 TC:16 AU: Acosta, Matias;Novak, Nikola;Jo, Wook;Roedel, Juergen;
7:1:5:13 Polarization alignment, phase transition, and piezoelectricity development in polycrystalline 0.5Ba(Zr0.2Ti0.8)O-3-0.5(Ba0.7Ca0.3)TiO3
DOI:10.1103/PhysRevB.90.014103 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Guo, Hanzheng;Voas, Brian K.;Zhang, Shujun;Zhou, Chao;Ren, Xiaobing;Beckman, Scott P.;Tan, Xiaoli;
7:1:5:14 Polymorphic structure evolution and large piezoelectric response of lead-free (Ba,Ca)(Zr,Ti)O-3 ceramics
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7:1:5:15 Mechanical constitutive behavior and exceptional blocking force of lead-free BZT-xBCT piezoceramics
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7:1:5:16 Orientation-dependent piezoelectric properties in lead-free epitaxial 0.5BaZr(0.2)Ti(0.8)O(3)-0.5Ba(0.7)Ca(0.3)TiO(3) thin films
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7:1:5:17 Phase Transition Behavior and Large Piezoelectricity Near the Morphotropic Phase Boundary of Lead-Free (Ba0.85Ca0.15)(Zr0.1Ti0.9)O-3 Ceramics
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7:1:5:18 Growth and characterization of lead-free piezoelectric BaZr0.2Ti0.8O3-Ba0.7Ca0.3TiO3 thin films on Si substrates
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7:1:5:19 Effect of sintering temperature on dielectric, piezoelectric and ferroelectric properties of BZT-BCT 50/50 ceramics
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7:1:5:20 Phase Diagram and Enhanced Piezoelectric Response of Lead-Free BaTiO3-CaTiO3-BaHfO3 System
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7:1:5:21 Polarization dynamics across the morphotropic phase boundary in Ba(Zr0.2Ti0.8)O-3-x(Ba0.7Ca0.3)TiO3 ferroelectrics
DOI:10.1063/1.4824730 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Zhukov, Sergey;Genenko, Yuri A.;Acosta, Matias;Humburg, Heide;Jo, Wook;Roedel, Juergen;von Seggern, Heinz;
7:1:5:22 In situ electric field induced domain evolution in Ba(Zr0.2Ti0.8)O-3-0.3(Ba0.7Ca0.3)TiO3 ferroelectrics
DOI:10.1063/1.48960481 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Zakhozheva, M.;Schmitt, L. A.;Acosta, M.;Jo, W.;Roedel, J.;Kleebe, H. -J.;
7:1:5:23 Reduction of the piezoelectric performance in lead-free (1-x)Ba(Zr0.2Ti0.8)O-3-x(Ba0.7Ca0.3)TiO3 piezoceramics under uniaxial compressive stress
DOI:10.1063/1.4768273 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:17 AU: Ehmke, Matthias C.;Daniels, John;Glaum, Julia;Hoffman, Mark;Blendell, John E.;Bowman, Keith J.;
7:1:5:24 Crystallization, phase evolution and ferroelectric properties of sol-gel-synthesized Ba(Ti0.8Zr0.2)O-3-x(Ba0.7Ca0.3)TiO3 thin films
DOI:10.1039/c2tc00020b JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2013 TC:18 AU: Wang, Zeng-mei;Zhao, Kuan;Guo, Xin-li;Sun, Wei;Jiang, Hua-long;Han, Xue-qin;Tao, Xu-tang;Cheng, Zhen-xiang;Zhao, Hong-yang;Kimura, Hideo;Yuan, Guo-liang;Yin, Jiang;Liu, Zhi-guo;
7:1:5:25 Temperature driven nano-domain evolution in lead-free Ba(Zr0.2Ti0.8)O-3-50(Ba0.7Ca0.3)TiO3 piezoceramics
DOI:10.1063/1.4891756 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Lu, Shengbo;Xu, Zhengkui;Su, Shi;Zuo, Ruzhong;
7:1:5:26 Major contributor to the large piezoelectric response in (1-x)Ba(Zr0.2Ti0.8)O-3 - x(Ba0.7Ca0.3)TiO3 ceramics: Domain wall motion
DOI:10.1063/1.4885675 JN:APPLIED PHYSICS LETTERS PY:2014 TC:5 AU: Gao, Jinghui;Hu, Xinghao;Zhang, Le;Li, Fei;Zhang, Lixue;Wang, Yu;Hao, Yanshuang;Zhong, Lisheng;Ren, Xiaobing;
7:1:5:27 Temperature-Dependent Poling Behavior of Lead-free BZT-BCT Piezoelectrics
DOI:10.1111/j.1551-2916.2011.04758.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:27 AU: Li, Binzhi;Blendell, John E.;Bowman, Keith J.;
7:1:5:28 Linking large piezoelectric coefficients to highly flexible polarization of lead free BaTiO3-CaTiO3-BaZrO3 ceramics
DOI:10.1063/1.3599854 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:25 AU: Benabdallah, F.;Simon, A.;Khemakhem, H.;Elissalde, C.;Maglione, M.;
7:1:5:29 Symmetry determination on Pb-free piezoceramic 0.5Ba(Zr0.2Ti0.8)O-3-0.5(Ba0.7Ca0.3)TiO3 using convergent beam electron diffraction method
DOI:10.1063/1.4864130 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:13 AU: Gao, Jinghui;Zhang, Lixue;Xue, Dezhen;Kimoto, Takayoshi;Song, Minghui;Zhong, Lisheng;Ren, Xiaobing;
7:1:5:30 Thermodynamics of Ferroelectric Solid Solutions with Morphotropic Phase Boundaries
DOI:10.1111/jace.12979 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:8 AU: Heitmann, Adam A.;Rossetti, George A., Jr.;
7:1:5:31 Adaptive ferroelectric state at morphotropic phase boundary: Coexisting tetragonal and rhombohedral phases
DOI:10.1016/j.actamat.2014.03.007 JN:ACTA MATERIALIA PY:2014 TC:7 AU: Zhang, Yang;Xue, Dezhen;Wu, Haijun;Ding, Xiangdong;Lookman, Turab;Ren, Xiaobing;
7:1:5:32 Stress, temperature and electric field effects in the lead-free (Ba,Ca)(Ti,Zr)O-3 piezoelectric system
DOI:10.1016/j.actamat.2014.06.005 JN:ACTA MATERIALIA PY:2014 TC:11 AU: Ehmke, Matthias C.;Schader, Florian H.;Webber, Kyle G.;Roedel, Juergen;Blendell, John E.;Bowman, Keith J.;
7:1:5:33 Synthesis and characterization of lead-free 0.5Ba(Zr0.2Ti0.8)O-3-0.5(Ba0.7Ca0.3)TiO3 ceramic
DOI:10.1063/1.4808338 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:17 AU: Coondoo, Indrani;Panwar, Neeraj;Amorin, Harvey;Alguero, Miguel;Kholkin, A. L.;
7:1:5:34 Structure, dielectric, ferroelectric, and optical properties of (1-x)Ba(Zr0.2Ti0.8)O-3-x(Ba0.7Ca0.3)TiO3 thin films prepared by sol-gel method
DOI:10.1016/j.tsf.2011.12.030 JN:THIN SOLID FILMS PY:2012 TC:25 AU: Lin, Yanting;Wu, Guangheng;Qin, Ni;Bao, Dinghua;
7:1:5:35 Resolving structural contributions to the electric-field-induced strain in lead-free (1-x)Ba(Zr0.2Ti0.8)O-3 - x(Ba0.7Ca0.3)TiO3 piezoceramics
DOI:10.1016/j.actamat.2013.11.021 JN:ACTA MATERIALIA PY:2014 TC:6 AU: Ehmke, Matthias C.;Khansur, Neamul H.;Daniels, John E.;Blendell, John E.;Bowman, Keith J.;
7:1:5:36 In Situ X-ray Diffraction of Biased Ferroelastic Switching in Tetragonal Lead-free (1-x)Ba(Zr0.2Ti0.8)O3-x(Ba0.7Ca0.3)TiO3 Piezoelectrics
DOI:10.1111/jace.12424 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:10 AU: Ehmke, Matthias C.;Glaum, Julia;Hoffman, Mark;Blendell, John E.;Bowman, Keith J.;
7:1:5:37 Piezoelectric properties of 0.5(Ba0.7Ca0.3TiO3)-0.5[Ba(Zr0.2Ti0.8)O-3] ferroelectric lead-free laser deposited thin films
DOI:10.1063/1.3572056 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:25 AU: Piorra, A.;Petraru, A.;Kohlstedt, H.;Wuttig, M.;Quandt, E.;
7:1:5:38 Microstructure at morphotropic phase boundary in Pb(Mg1/3Nb2/3)O-3-PbTiO3 ceramic: Coexistence of nano-scaled {110}-type rhombohedral twin and {110}-type tetragonal twin
DOI:10.1063/1.4745935 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:13 AU: Wu, Haijun;Xue, Dezhen;Lv, Duchao;Gao, Jinghui;Guo, Shengwu;Zhou, Yumei;Ding, Xiangdong;Zhou, Chao;Yang, Sen;Yang, Yaodong;Ren, Xiaobing;
7:1:5:39 The Effect of Electric Poling on the Performance of Lead-Free (1-x)Ba(Zr0.2Ti0.8)O-3-x(Ba0.7Ca0.3)TiO3 Piezoceramics
DOI:10.1111/jace.12586 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:6 AU: Ehmke, Matthias C.;Glaum, Julia;Hoffman, Mark;Blendell, John E.;Bowman, Keith J.;
7:1:5:40 Domain wall motion and electromechanical strain in lead-free piezoelectrics: Insight from the model system (1-x)Ba(Zr0.2Ti0.8)O-3-x(Ba0.7Ca0.3)TiO3 using in situ high-energy X-ray diffraction during application of electric fields
DOI:10.1063/1.4870934 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:11 AU: Tutuncu, Goknur;Li, Binzhi;Bowman, Keith;Jones, Jacob L.;
7:1:5:41 In-situ X-ray diffraction study of stress-induced phase transition of (1-x)BaZr0.2Ti0.8O3-xBa(0.7)Ca(0.3)TiO(3) in polymer matrix composite
DOI:10.1016/j.matchemphys.2014.03.049 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2014 TC:1 AU: Wang, W.;Li, W. L.;Feng, Y.;Hou, Y. F.;Xu, D.;Wang, M.;Fei, W. D.;
7:1:5:42 Structure, dielectric, ferroelectric, and energy density properties of (1-x)BZT-xBCT ceramic capacitors for energy storage applications
DOI:10.1007/s10853-012-6990-1 JN:JOURNAL OF MATERIALS SCIENCE PY:2013 TC:13 AU: Puli, Venkata Sreenivas;Pradhan, Dhiren K.;Chrisey, Douglas B.;Tomozawa, M.;Sharma, G. L.;Scott, J. F.;Katiyar, Ram S.;
7:1:5:43 Phase transition behavior and high piezoelectric properties in lead-free BaTiO3-CaTiO3-BaHfO3 ceramics
DOI:10.1007/s10853-013-7650-9 JN:JOURNAL OF MATERIALS SCIENCE PY:2014 TC:4 AU: Wang, Dali;Jiang, Zhaohua;Yang, Bin;Zhang, Shantao;Zhang, Mingfu;Guo, Feifei;Cao, Wenwu;
7:1:5:44 Continuous cross-over from ferroelectric to relaxor state and piezoelectric properties of BaTiO3-BaZrO3-CaTiO3 single crystals
DOI:10.1063/1.4870933 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Benabdallah, F.;Veber, P.;Prakasam, M.;Viraphong, O.;Shimamura, K.;Maglione, M.;
7:1:5:45 Correlation Between Piezoelectric Properties and Phase Coexistence in (Ba,Ca)(Ti,Zr)O-3 Ceramics
DOI:10.1111/jace.13047 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:3 AU: Zhang, Yichi;Glaum, Julia;Groh, Claudia;Ehmke, Matthias C.;Blendell, John E.;Bowman, Keith J.;Hoffman, Mark J.;
7:1:5:46 Spectroscopic ellipsometry study of 0.5BaZr(0.2)Ti(0.8)O(3)-0.5Ba(0.7)Ca(0.3)TiO(3) ferroelectric thin films
DOI:10.1016/j.jallcom.2014.06.186 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:0 AU: Wang, Hongguang;Xu, Jinbao;Ma, Chao;Xu, Fanglong;Wang, Lei;Bian, Liang;Chang, Aimin;
7:1:5:47 (1-x)Ba(Zr0.2Ti0.8)O3-x(Ba0.7Ca0.3)TiO3 Ferroelectric Thin Films Prepared from Chemical Solutions
DOI:10.1111/j.1551-2916.2011.04877.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:13 AU: Kang, Guangqing;Yao, Kui;Wang, John;
7:1:5:48 Polymorphic phase boundaries and enhanced piezoelectric response in extended composition range in the lead free ferroelectric BaTi1-xZrxO3
DOI:10.1063/1.4812472 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:11 AU: Kalyani, Ajay Kumar;Senyshyn, Anatoliy;Ranjan, Rajeev;
7:1:5:49 Elastic response of (1-x)Ba(Ti0.8Zr0.2)O-3 - x(Ba0.7Ca0.3)TiO3 (x=0.45-0.55) and the role of the intermediate orthorhombic phase in enhancing the piezoelectric coupling
DOI:10.1063/1.4903807 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Cordero, F.;Craciun, F.;Dinescu, M.;Scarisoreanu, N.;Galassi, C.;Schranz, W.;Soprunyuk, V.;
7:1:5:50 Phase transitions in (1-x)BaZr0.2Ti0.8O3-xBa(0.7)Ca(0.3)TiO(3) powders and ceramic pellets
DOI:10.1016/j.ceramint.2013.08.037 JN:CERAMICS INTERNATIONAL PY:2014 TC:5 AU: Wang, W.;Li, W. L.;Xu, D.;Cao, W. P.;Hou, Y. F.;Fei, W. D.;
7:1:5:51 Piezoelectric properties of BaTiO3-CaTiO3-BaZrO3 ceramics with compositions near the morphotropic phase boundary
DOI:10.1016/j.ceramint.2014.06.086 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Wang, W.;Wang, L. D.;Li, W. L.;Xu, D.;Hou, Y. F.;Cao, W. P.;Feng, Y.;Fei, W. D.;
7:1:5:52 Effects of poling over the orthorhombic-tetragonal phase transition temperature in compositionally homogeneous (K, Na)NbO3-based ceramics
DOI:10.1063/1.3573790 JN:APPLIED PHYSICS LETTERS PY:2011 TC:13 AU: Morozov, M. I.;Kungl, H.;Hoffmann, M. J.;
7:1:5:53 Microstructures and electrical properties of 0.5(Ba0.7Ca0.3)TiO3-0.5Ba(Zr0.2Ti0.8)O-3 thin films prepared by a sol gel route
DOI:10.1016/j.ceramint.2013.04.001 JN:CERAMICS INTERNATIONAL PY:2013 TC:1 AU: Chi, Q. G.;Zhu, H. F.;Xu, J. C.;Wang, X.;Lin, J. Q.;Sun, Z.;Chen, Y.;Lei, Q. Q.;
7:1:5:54 Effects of tricritical points and morphotropic phase boundaries on the piezoelectric properties of ferroelectrics
DOI:10.1103/PhysRevB.83.174108 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Porta, Marcel;Lookman, Turab;
7:1:5:55 Polarization switching characteristics of 0.5BaTi(0.8)Zr(0.2)O(3)-0.5Ba(0.7)Ca(0.3)TiO(3) lead free ferroelectric thin films by pulsed laser deposition
DOI:10.1063/1.4871673 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:4 AU: Kolekar, Y. D.;Bhaumik, A.;Shaikh, P. A.;Ramana, C. V.;Ghosh, K.;
7:1:5:56 Intrinsic electromechanical properties of ferroelectric ceramics with the coexistence of tetragonal and rhombohedral phases near the morphotropic phase boundary
DOI:10.1063/1.4895896 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Wu, Yugong;Hou, Jiankun;
7:1:5:57 Effect of crystallographic orientation in textured Ba0.92Ca0.08TiO3 piezoelectric ceramics
DOI:10.1063/1.4896840 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Haugen, Astri Bjornetun;Morozov, Maxim I.;Johnsson, Mats;Grande, Tor;Einarsrud, Mari-Ann;
7:1:5:58 Largely enhanced electromechanical properties of BaTiO3-(Na0.5Er0.5)TiO3 lead-free piezoelectric ceramics
DOI:10.1063/1.4893610 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Li, Jun;Chai, Xiaona;Peng, Dengfeng;Zou, Hue;Wang, Xusheng;Yao, Xi;
7:1:5:59 Dielectric relaxor behaviors and tunability of (1-x)Ba(Zr0.2Ti0.8)O-3-x(Ba0.7Ca0.3)TiO3 thin films fabricated by sol-gel method
DOI:10.1007/s00339-012-7110-4 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2012 TC:4 AU: Lin, Yanting;Qin, Ni;Wu, Guangheng;Sa, Tongliang;Bao, Dinghua;
7:1:5:60 Enhanced dielectric and piezoelectric properties of BZT-BCT system near MPB
DOI:10.1016/j.ceramint.2014.06.001 JN:CERAMICS INTERNATIONAL PY:2014 TC:2 AU: Mishra, P.;Sonia;Kumar, P.;
7:1:5:61 Piezoelectric properties of new ternary Bi-1/2(Na, Li)(1/2)TiO3-(Bi1/2K1/2)TiO3-Ba0.85Ca0.15Ti0.90Zr0.10O3 ceramics
DOI:10.1007/s00339-012-7297-4 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2012 TC:1 AU: Wu, Jiagang;Qiao, Sha;Zhu, Jianguo;Xiao, Dingquan;
7:1:5:62 Optimizing electrical poling for tetragonal, lead-free BZT-BCT piezoceramic alloys
DOI:10.1016/j.jeurceramsoc.2013.05.032 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:10 AU: Li, Binzhi;Ehmke, Matthias C.;Blendell, John E.;Bowman, Keith J.;
7:1:5:63 Dielectric, ferroelectric, and piezoelectric properties of textured BZT-BCT lead-free thick film by screen printing
DOI:10.1016/j.matlet.2012.05.114 JN:MATERIALS LETTERS PY:2012 TC:9 AU: Bai, Wangfeng;Shen, Bo;Fu, Fang;Zhai, Jiwei;
7:1:5:64 Dielectric and piezoelectric properties of low temperature synthesized iso-valent modified BT ceramics
DOI:10.1016/j.ceramint.2012.03.079 JN:CERAMICS INTERNATIONAL PY:2012 TC:5 AU: Sharma, Sonia;Kumar, P.;Palei, P.;
7:1:5:65 Nucleation of Rhombohedral Regions Within a Tetragonal Matrix in Mn-Doped Na0.5Bi0.5TiO3 Crystals: Origins of a Diffuse Transformation, Thermal Hysteresis, and Isotropization
DOI:10.1111/j.1551-2916.2010.04083.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:1 AU: Ge, Wenwei;Yao, Jianjun;Luo, Liang;Devreugd, Christopher P.;Li, Jiefang;Viehland, D.;Zhang, Qinhui;Luo, Haosu;
7:1:5:66 Morphotropic phase boundary tailoring of PZST-PMN system by compositional variation for shape memory effect
DOI:10.1016/j.matchemphys.2010.03.072 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2010 TC:2 AU: Pathak, Abhishek;Prakash, Chandra;Chatterjee, Ratnamala;
7:1:5:67 Evidence for a tricritical point coinciding with the triple point in (Pb0.94Sr0.06)(ZrxTi1-x)O-3: A combined synchrotron x-ray diffraction, dielectric, and Landau theory study
DOI:10.1103/PhysRevB.88.184109 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:1:5:68 Symmetry of piezoelectric (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (x=0.31) single crystal at different length scales in the morphotropic phase boundary region
DOI:10.1103/PhysRevB.86.184113 JN:PHYSICAL REVIEW B PY:2012 TC:7 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;Phonon softening and dispersion in EuTiO3;PHYSICAL REVIEW B;86;22;220301;10.1103/PhysRevB.86.220301;DEC 4 2012;2012;We measured phonon dispersion in single-crystal EuTiO3 using inelastic;x-ray scattering. Astructural transition to an antiferrodistortive phase;was found at a critical temperature T-0 = 287 +/- 1K using powder and;single-crystal x-ray diffraction. Clear softening of the zone boundary;R-point q = (0.5 0.5 0.5) acoustic phonon shows this to be a displacive;transition. The mode energy plotted against reduced temperature could be;seen to nearly overlap that of SrTiO3, suggesting a universal scaling;relation. Phonon dispersion was measured along Gamma-X (0 0 0) -> (0.5 0;0). Mode eigenvectors were obtained from a shell model consistent with;the q dependence of intensity and energy, which also showed that the;dispersion is nominally the same as in SrTiO3 at room temperature, but;corrected for mass. The lowest-energy optical mode, determined to be of;Slater character, softens approximately linearly with temperature until;the 70-100 K range where the softening stops, and at low temperature,;the mode disperses linearly near the zone center.;7;0;0;0;7;1098-0121;WOS:000311910600001;;;J;Fock, J.;Leijnse, M.;Jennum, K.;Zyazin, A. S.;Paaske, J.;Hedegard, P.;Nielsen, M. Brondsted;van der Zant, H. S. J.;Manipulation of organic polyradicals in a single-molecule transistor;PHYSICAL REVIEW B;86;23;235403;10.1103/PhysRevB.86.235403;DEC 4 2012;2012;Inspired by cotunneling spectroscopy of spin-states in a single;OPE5-based molecule, we investigate the prospects for electric control;of magnetism in purely organic molecules contacted in a three-terminal;geometry. Using the gate electrode, the molecule is reversibly switched;between three different redox states, with magnetic spectra revealing;both ferromagnetic and antiferromagnetic exchange couplings on the;molecule. These observations are shown to be captured by an effective;low-energy Heisenberg model, which we substantiate microscopically by a;simple valence bond description of the molecule. These preliminary;findings suggest an interesting route towards functionalized all-organic;molecular magnetism.;Fock, Jeppe/A-9074-2011;Fock, Jeppe/0000-0002-7515-4026;3;0;0;0;3;1098-0121;WOS:000311911100003;;;J;Li, P. H. Y.;Bishop, R. F.;Campbell, C. E.;Farnell, D. J. J.;Goetze, O.;Richter, J.;Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice;PHYSICAL REVIEW B;86;21;214403;10.1103/PhysRevB.86.214403;DEC 4 2012;2012;We use the coupled-cluster method to study the zero-temperature;properties of an extended two-dimensional Heisenberg antiferromagnet;formed from spin-1/2 moments on an infinite spatially anisotropic kagome;lattice of corner-sharing isosceles triangles, with nearest-neighbor;bonds only. The bonds have exchange constants J(1) > 0 along two of the;three lattice directions and J(2) = kappa J(1) > 0 along the third. In;the classical limit, the ground-state (GS) phase for kappa < 1/2 has;collinear ferrimagnetic (Neel') order where the J(2)-coupled chain spins;are ferromagnetically ordered in one direction with the remaining spins;aligned in the opposite direction, while for kappa > 1/2 there exists an;infinite GS family of canted ferrimagnetic spin states, which are;energetically degenerate. For the spin-1/2 case, we find that quantum;analogs of both these classical states continue to exist as stable GS;phases in some regions of the anisotropy parameter kappa, namely, for 0;< kappa < kappa(c1) for the Neel' state and for (at least part of) the;region kappa > kappa(c2) for the canted phase. However, they are now;separated by a paramagnetic phase without either sort of magnetic order;in the region kappa(c1) < kappa < kappa(c2), which includes the;isotropic kagome point kappa = 1 where the stable GS phase is now;believed to be a topological (Z(2)) spin liquid. Our best numerical;estimates are kappa(c1) = 0.515 +/- 0.015 and kappa(c2) = 1.82 +/- 0.03.;Richter, Johannes/A-6339-2009; Bishop, Raymond/D-9715-2012;Bishop, Raymond/0000-0001-5565-0658;4;0;0;0;4;1098-0121;WOS:000311910100002;;;J;Monozon, B. S.;Schmelcher, P.;Bound and resonant impurity states in a narrow gapped armchair graphene;nanoribbon;PHYSICAL REVIEW B;86;24;245404;10.1103/PhysRevB.86.245404;DEC 4 2012;2012;An analytical study of discrete and resonant impurity quasi-Coulomb;states in a narrow gapped armchair graphene nanoribbon (GNR) is;performed. We employ the adiabatic approximation assuming that the;motions parallel ("slow") and perpendicular ("fast") to the boundaries;of the ribbon are separated adiabatically. The energy spectrum comprises;a sequence of series of quasi-Rydberg levels relevant to the slow motion;adjacent from the low energies to the size-quantized levels associated;with the fast motion. Only the series attributed to the ground;size-quantized subband is really discrete, while others corresponding to;the excited subbands consist of quasidiscrete (Fano resonant) levels of;nonzero energetic widths, caused by the coupling with the states of the;continuous spectrum branching from the low lying subbands. In the;two-and three-subband approximation the spectrum of the complex energies;of the impurity electron is derived in an explicit form. Narrowing the;GNR leads to an increase of the binding energy and the resonant width;both induced by the finite width of the ribbon. Displacing the impurity;center from the midpoint of the GNR causes the binding energy to;decrease, while the resonant width of the first excited Rydberg series;increases. As for the second excited series, their widths become;narrower with the shift of the impurity. A successful comparison of our;analytical results with those obtained by other theoretical and;experimental methods is presented. Estimates of the binding energies and;the resonant widths taken for the parameters of typical GNRs show that;not only the strictly discrete but also some resonant states are quite;stable and could be studied experimentally in doped GNRs.;Monozon, Boris/E-6412-2012; Schmelcher, Peter/D-9592-2014;Schmelcher, Peter/0000-0002-2637-0937;0;0;0;0;0;1098-0121;WOS:000311911900002;;;J;Thiaville, Andre;Vukadinovic, Nicolas;Acher, Olivier;Sum rule for the magnetic permeability of arbitrary textures;PHYSICAL REVIEW B;86;21;214404;10.1103/PhysRevB.86.214404;DEC 4 2012;2012;The f-sum rule for the magnetic permeability, derived previously for an;assembly of isolated macrospins, is generalized for an arbitrary;nonuniform three-dimensional magnetization texture, in which the;magnetizations at different points are coupled by exchange and;magnetostatic interactions. The sum value depends only on the magnetic;texture at rest. It has no direct contribution from the exchange energy,;but depends on the anisotropy, applied field, and demagnetizing;energies. The derived formula is tested against numerical calculations;for several complex and very different magnetization structures. This;generalized sum rule should be useful for experiments, numerical;simulations, and metrology.;1;0;0;0;1;1098-0121;WOS:000311910100003;;;J;Troc, R.;Gajek, Z.;Pikul, A.;Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as;seen in magnetic, transport, and specific-heat data;PHYSICAL REVIEW B;86;22;224403;10.1103/PhysRevB.86.224403;DEC 4 2012;2012;Single-crystalline UGe2 was investigated by means of magnetic;susceptibility, magnetization, electrical resistivity,;magnetoresistivity, and specific-heat measurements, all carried out in;wide temperature and magnetic-field ranges. An analysis of the obtained;data points out the dual behavior of the 5f electrons in this compound,;i. e., possessing simultaneously local and itinerant characters in two;substates. The magnetic and thermal characteristics of the compound were;modeled using the effective crystal field (CF) in the intermediate;coupling scheme and initial parameters obtained in the angular overlap;model. Various configurations of the localized 5f(n) (n = 1, 2, and 3);electrons on the uranium ion have been probed. The best results were;obtained for the 5f(2) (U4+) configuration. The CF parameters obtained;in the paramagnetic region allowed us to reproduce satisfactorily the;experimental findings in the whole temperature range including also the;magnitude of the ordered magnetic moment of uranium at low temperature.;The electrical resistivity data after subtraction of the phonon;contribution reveal the presence of a Kondo-like interaction in UGe2;supporting the idea of partial localization of the 5f electrons in UGe2.;On the other hand, magnetoresistivity and an excess of specific heat;originated from the hybridized (itinerant) part of 5f states, apparent;around the characteristic temperature T*, give a distinct signature for;the presence of the coupled charge-density wave and spin-density wave;fluctuations over all the ferromagnetic region with a maximum at T*,;postulated earlier in the literature.;7;0;0;0;7;1098-0121;WOS:000311910600004;;;J;Williams, T. J.;Yamani, Z.;Butch, N. P.;Luke, G. M.;Maple, M. B.;Buyers, W. J. L.;Neutron scattering study of URu2-xRexSi2 (x=0.10): Driving order towards;quantum criticality;PHYSICAL REVIEW B;86;23;235104;10.1103/PhysRevB.86.235104;DEC 4 2012;2012;We report inelastic neutron scattering measurements in the hidden order;state of URu2-xRexSi2 with x = 0.10. We observe that towards the;ferromagnetic quantum critical point induced by the negative chemical;pressure of Re doping, the gapped incommensurate fluctuations are robust;and comparable in intensity to the parent material. As the Re doping;moves the system toward the quantum critical point, the commensurate;spin fluctuations related to hidden order weaken, display a shortened;lifetime, and slow down. Halfway to the quantum critical point, the;hidden order phase survives, albeit weakened, in contrast to its;destruction by hydrostatic pressure and by positive chemical pressure;from Rh doping.;yamani, zahra/B-7892-2012; Luke, Graeme/A-9094-2010;0;0;0;0;0;1098-0121;WOS:000311911100001;;;J;Wolfowicz, Gary;Simmons, Stephanie;Tyryshkin, Alexei M.;George, Richard E.;Riemann, Helge;Abrosimov, Nikolai V.;Becker, Peter;Pohl, Hans-Joachim;Lyon, Stephen A.;Thewalt, Mike L. W.;Morton, John J. L.;Decoherence mechanisms of Bi-209 donor electron spins in isotopically;pure Si-28;PHYSICAL REVIEW B;86;24;245301;10.1103/PhysRevB.86.245301;DEC 4 2012;2012;Bismuth (Bi-209) is the deepest group V donor in silicon and possesses;the most extreme characteristics such as a 9/2 nuclear spin and a 1.5;GHz hyperfine coupling. These lead to several potential advantages for a;Si:Bi donor electron spin qubit compared to the more common phosphorus;donor. Most previous studies on Si: Bi have been performed using natural;silicon where linewidths and electron spin coherence times are limited;by the presence of Si-29 impurities. Here, we describe electron spin;resonance (ESR) and electron nuclear double resonance (ENDOR) studies on;Bi-209 in isotopically pure Si-28. ESR and ENDOR linewidths, transition;probabilities, and coherence times are understood in terms of the spin;Hamiltonian parameters showing a dependence on field and m(I) of the;Bi-209 nuclear spin. We explore various decoherence mechanisms;applicable to the donor electron spin, measuring coherence times up to;700 ms at 1.7 K at X band, comparable with Si-28:P. Importantly, the;coherence times we measure follow closely to the calculated field;gradients of the transition frequencies (df/dB), providing a strong;motivation to explore "clock" transitions where coherence lifetimes;could be further enhanced.;Morton, John/I-3515-2013;6;1;0;0;6;1098-0121;WOS:000311911900001;;;J;Armbruster, Oskar;Lungenschmied, Christoph;Bauer, Siegfried;Investigation of trap states and mobility in organic semiconductor;devices by dielectric spectroscopy: Oxygen-doped P3HT:PCBM solar cells;PHYSICAL REVIEW B;86;23;235201;10.1103/PhysRevB.86.235201;DEC 3 2012;2012;We investigate the dielectric response of solar cell devices based on;oxygen-doped poly(3-hexylthiophene):[6,6]-phenyl-C-61-butyric acid;methyl ester (P3HT:PCBM) blends as a function of temperature between 133;K and 303 K. The spectra are analyzed using a recently introduced model;[O. Armbruster, C. Lungenschmied, and S. Bauer, Phys. Rev. B 84, 085208;(2011)] which is based on a trapping and reemission mechanism of charge;carriers. A dominating trap depth of 130 meV is determined and the;broadening of this trap level identified as purely thermal. In addition;we estimate the density of charge carriers after doping as well as their;mobility. We show that the concentration of mobile holes approximately;doubles by heating the device from the lowest to the highest measured;temperature. This is indicative of a second, shallow trap level of;approximately 14 meV. Dielectric spectroscopy hence proves to be a;valuable tool to assess device parameters such as dopant concentration,;charge carrier transport characteristics, and mobility which are of;crucial interest for understanding degradation in organic semiconductor;devices.;Bauer, Siegfried/A-2354-2009; Armbruster, Oskar/G-1154-2014;Armbruster, Oskar/0000-0002-4235-4451;3;0;0;0;3;1098-0121;WOS:000311806300004;;;J;Chen, Bo;Abbey, Brian;Dilanian, Ruben;Balaur, Eugeniu;van Riessen, Grant;Junker, Mark;Tran, Chanh Q.;Jones, Michael W. M.;Peele, Andrew G.;McNulty, Ian;Vine, David J.;Putkunz, Corey T.;Quiney, Harry M.;Nugent, Keith A.;Diffraction imaging: The limits of partial coherence;PHYSICAL REVIEW B;86;23;235401;10.1103/PhysRevB.86.235401;DEC 3 2012;2012;Coherent diffraction imaging (CDI) typically requires that the source;should be highly coherent both laterally and longitudinally. In this;paper, we demonstrate that lateral and longitudinal partial coherence;can be successfully included in a CDI reconstruction algorithm;simultaneously using experimental x-ray data. We study the interplay;between lateral partial coherence and longitudinal partial coherence and;their relative influence on CDI. We compare our results against the;coherence criteria published by Spence et al. [Spence et al.,;Ultramicroscopy 101, 149 (2004)] and show that for iterative ab initio;phase-recovery algorithms based on those typically used in CDI and in;cases where the coherence properties are known, we are able to relax the;minimal coherence requirements by a factor of 2 both laterally and;longitudinally, potentially yielding significant reduction in exposure;time.;Jones, Michael/M-6895-2013; Abbey, Brian/D-3274-2011;Jones, Michael/0000-0002-0720-8715;;5;1;0;0;5;1098-0121;WOS:000311806300008;;;J;Gawarecki, Krzysztof;Lueker, Sebastian;Reiter, Doris E.;Kuhn, Tilmann;Glaessl, Martin;Axt, Vollrath Martin;Grodecka-Grad, Anna;Machnikowski, Pawel;Dephasing in the adiabatic rapid passage in quantum dots: Role of;phonon-assisted biexciton generation;PHYSICAL REVIEW B;86;23;235301;10.1103/PhysRevB.86.235301;DEC 3 2012;2012;We study the evolution of an exciton confined in a quantum dot;adiabatically controlled by a frequency-swept (chirped) laser pulse in;the presence of carrier-phonon coupling. We focus on the dynamics;induced by a linearly polarized beam and analyze the decoherence due to;phonon-assisted biexciton generation. We show that if the biexciton;state is shifted down by a few meV, as is typically the case, then the;resulting decoherence is strong even at low temperatures. As a result,;efficient state preparation is restricted to a small parameter area;corresponding to low temperatures, positive chirps, and moderate pulse;areas.;Kuhn, Tilmann/C-1190-2008;6;0;0;0;6;1098-0121;WOS:000311806300006;;;J;Hellstrom, Matti;Spangberg, Daniel;Hermansson, Kersti;Broqvist, Peter;Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface;PHYSICAL REVIEW B;86;23;235302;10.1103/PhysRevB.86.235302;DEC 3 2012;2012;The formation of Cu dimers on the ZnO(10 (1) over bar0) surface has been;studied using hybrid density functional theory. Depending on the;adsorption site, Cu atoms are found to adsorb with either oxidation;state 0 or +1. In the latter case, the Cu atom has donated an electron;to the ZnO conduction band. The two modes of adsorption display similar;stability at low coverages, while at higher coverages the neutral;species is more stable. Single Cu atoms diffuse across the ZnO(10 (1);over bar0) surface with small barriers of migration (0.3-0.4 eV) along;ZnO[1 (2) over bar 10], repeatedly switching their oxidation states,;while the barrier along ZnO[0001] is significantly higher (>1.5 eV). The;formation of a Cu dimer from two adsorbed Cu atoms is energetically;favorable with two competing structures of similar stability, both being;charge neutral. The minimum energy paths for Cu atom diffusion and dimer;formation are characterized by at least one of the two Cu atoms being in;oxidation state 0.;5;0;0;0;5;1098-0121;WOS:000311806300007;;;J;Huang, Yu-Kun;Chen, Pochung;Kao, Ying-Jer;Accurate computation of low-temperature thermodynamics for quantum spin;chains;PHYSICAL REVIEW B;86;23;235102;10.1103/PhysRevB.86.235102;DEC 3 2012;2012;We apply the biorthonormal transfer-matrix renormalization group (BTMRG);[Huang, Phys. Rev. E 83, 036702 (2011)] to study low-temperature;properties of quantum spin chains. Simulations on anisotropic Heisenberg;spin-1/2 chains demonstrate that the BTMRG outperforms the conventional;transfer-matrix renormalization group by successfully accessing far;lower temperature than previously reported, while retaining the same;level of accuracy. The power of the method is further illustrated by the;calculation of the low-temperature specific heat for a frustrated spin;chain.;Kao, Ying Jer/B-5297-2009; Chen, Pochung/G-1241-2010;Kao, Ying Jer/0000-0002-3329-6018;;4;0;0;0;4;1098-0121;WOS:000311806300002;;;J;Kim, Jin Hee;Rhyee, Jong-Soo;Kwon, Yong Seung;Magnon gap formation and charge density wave effect on thermoelectric;properties in the SmNiC2 compound;PHYSICAL REVIEW B;86;23;235101;10.1103/PhysRevB.86.235101;DEC 3 2012;2012;We studied the electrical, thermal, and thermoelectric properties of the;polycrystalline compound of SmNiC2. The electrical resistivity and;magnetization measurement show the interplay between the charge density;wave at T-CDW = 150 K and the ferromagnetic ordering of T-c = 18 K.;Below the ferromagnetic transition temperature, we observed the magnon;gap formation of Delta similar or equal to 4.3- 4.4 meV by rho(T) and;C-p (T) measurements. The charge density wave is attributed to the;increase of the Seebeck coefficient resulting in the increase of the;power factor S-2 sigma. The thermal conductivity anomalously increases;with increasing temperature along the whole measured temperature range,;which implies the weak attribution of Umklapp phonon scattering. The;thermoelectric figure of merit ZT significantly increases due to the;increase of the power factor at T-CDW = 150 K. Here we argue that the;competing interaction between electron-phonon and electron-magnon;couplings exhibits the unconventional behavior of electrical and thermal;properties.;6;0;1;0;6;1098-0121;WOS:000311806300001;;;J;Osorio-Guillen, J. M.;Larrauri-Pizarro, Y. D.;Dalpian, G. M.;Pressure-induced metal-insulator transition and absence of magnetic;order in FeGa3 from a first-principles study;PHYSICAL REVIEW B;86;23;235202;10.1103/PhysRevB.86.235202;DEC 3 2012;2012;The intermetallic compound FeGa3 is a narrow-gap semiconductor with a;measured gap between 0.2 and 0.6 eV. The presence of iron d states on;the top of the valence band and on the bottom of the conduction band,;together with its moderate electronic correlation (U/W similar to 0.6),;have led to the question of whether there is magnetic order in this;compound. We have examined the possible presence of magnetism in FeGa3;as well as its electronic structure at high pressures, using the density;functional theory (DFT) + U method with the intermediated;double-counting scheme. We have found that for an optimized value of the;Yukawa screening length., there is no magnetic moment on the iron ions;(mu = 0), implying that FeGa3 is nonmagnetic. We have also found that;around a pressure of 25 GPa a metal-insulator transition takes place.;Osorio-Guillen, Jorge/B-7587-2008; Dalpian, Gustavo/B-9746-2008;Osorio-Guillen, Jorge/0000-0002-7384-8999;;3;0;0;0;3;1098-0121;WOS:000311806300005;;;J;Yuan, Xun;Zhang, Yubo;Abtew, Tesfaye A.;Zhang, Peihong;Zhang, Wenqing;VO2: Orbital competition, magnetism, and phase stability;PHYSICAL REVIEW B;86;23;235103;10.1103/PhysRevB.86.235103;DEC 3 2012;2012;The relative phase stability of VO2 is one of the most fundamental;issues concerning the metal-insulator transition in this material but;has been so far largely unexplored theoretically. We investigate the;relative stability of various phases of VO2 using different levels of;energy functionals within density functional theory (DFT). It is found;that straightforward applications of several popular energy functionals,;including the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, result in;a wrong prediction for the ground state of VO2. In particular, although;the HSE and DFT + U methods are able to produce a band gap in the M-1;phase, they strongly favor the formation of local magnetic moments, a;result that clearly disagrees with experiments. We also examine the;effect of the occupation and the redistribution of the d derived t(2g);(i.e., d(xz), d(yz), and d(x2-y2)) orbitals of V atoms on the calculated;relative phase stability of VO2. We find that a small change in d;occupation can result in a drastically different theoretical prediction.;With the introduction of an orbital-dependent potential, a complete;separation between the d(x2-y2) derived valence band and d(xz) and d(yz);derived conduction bands in the M-1 phase is achieved, resulting in a;slight redistribution of the d occupation and a more faithful account of;the polarization of the t(2g) orbitals. This slight rearrangement of the;d occupation also leads to a relative phase stability of VO2 ( including;structural and magnetic phases) that agrees well with experiment.;Zhang, Wenqing/K-1236-2012; Zhang, Peihong/D-2787-2012;4;0;0;0;4;1098-0121;WOS:000311806300003;;;J;Campi, Davide;Bernasconi, Marco;Benedek, Giorgio;Electronic properties and lattice dynamics of the As(111) surface;PHYSICAL REVIEW B;86;24;245403;10.1103/PhysRevB.86.245403;DEC 3 2012;2012;The bulk and surface electronic and structural properties of As(111);have been studied with first-principles methods. The inclusion of;spin-orbit interaction reveals that As shares the same topologically;nontrivial order of the bulk electronic bands of Sb which gives rise to;two spin-polarized surface states connecting valence-like and;conduction-like states. Bulk and surface phonons have been calculated by;means of density functional perturbation theory. The surface phonon;bands reveal features related to a remarkable stiffening of the surface;bilayer with respect to the bulk ones similarly to what is measured for;the Bi(111) and to what is expected for the Sb(111) surface.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000311806500003;;;J;Chakraborty, Akash;Wenk, Paul;Bouzerar, Richard;Bouzerar, Georges;Spontaneous magnetization in the presence of nanoscale inhomogeneities;in diluted magnetic systems;PHYSICAL REVIEW B;86;21;214402;10.1103/PhysRevB.86.214402;DEC 3 2012;2012;The presence of nanoscale inhomogeneities has been experimentally;evidenced in several diluted magnetic systems, which in turn often leads;to interesting physical phenomena. However, a proper theoretical;understanding of the underlying physics is lacking in most of the cases.;Here, we present a detailed and comprehensive theoretical study of the;effects of nanoscale inhomogeneities on the temperature-dependent;spontaneous magnetization in diluted magnetic systems, which is found to;exhibit an unusual and unconventional behavior. The effects of impurity;clustering on the magnetization response have hardly been studied until;now. We show that nanosized clusters of magnetic impurities can lead to;drastic effects on the magnetization compared to that of homogeneously;diluted compounds. The anomalous nature of the magnetization curves;strongly depends on the relative concentration of the inhomogeneities as;well as the effective range of the exchange interactions. In addition,;we also provide a systematic discussion of the nature of the;distributions of the local magnetizations.;3;0;0;0;3;1098-0121;WOS:000311805500004;;;J;Dmitriev, A. P.;Gornyi, I. V.;Polyakov, D. G.;Coulomb drag between ballistic quantum wires;PHYSICAL REVIEW B;86;24;245402;10.1103/PhysRevB.86.245402;DEC 3 2012;2012;We develop a kinetic equation description of Coulomb drag between;ballistic one-dimensional electron systems, which enables us to;demonstrate that equilibration processes between right- and left-moving;electrons are crucially important for establishing dc drag. In;one-dimensional geometry, this type of equilibration requires either;backscattering near the Fermi level or scattering with small-momentum;transfer near the bottom of the electron spectrum. Importantly, pairwise;forward scattering in the vicinity of the Fermi surface alone is not;sufficient to produce a nonzero dc drag resistivity rho(D), in contrast;to a number of works that have studied Coulomb drag due to this;mechanism of scattering before. We show that slow equilibration between;two subsystems of electrons of opposite chirality, "bottlenecked" by;inelastic collisions involving cold electrons near the bottom of the;conduction band, leads to a strong suppression of Coulomb drag, which;results in an activation dependence of rho(D) on temperature, instead of;the conventional power law. We demonstrate the emergence of a drag;regime in which rho(D) does not depend on the strength of interwire;interactions, while depending strongly on the strength of interactions;inside the wires.;4;0;0;0;4;1098-0121;WOS:000311806500002;;;J;Etz, Corina;Costa, Marcio;Eriksson, Olle;Bergman, Anders;Accelerating the switching of magnetic nanoclusters by anisotropy-driven;magnetization dynamics;PHYSICAL REVIEW B;86;22;224401;10.1103/PhysRevB.86.224401;DEC 3 2012;2012;In this work, the magnetization dynamics of clusters supported on;nonmagnetic substrates is shown to exhibit a complex response when;subjected to external magnetic fields. The field-driven magnetization;reversal of small Co clusters deposited on a Cu(111) surface has been;studied by means of first-principles calculations and atomistic spin;dynamics simulations. For applied fields ranging from 1 to 10 Tesla, we;observe a coherent magnetization reversal with switching times in the;range of several tenths of picoseconds to several nanoseconds, depending;on the field strength. We find a nonmonotonous dependence of the;switching times with respect to the strength of the applied field, which;we prove has its origin in the complex magnetic anisotropy landscape of;these low-dimensional systems. This effect is shown to be stable for;temperatures around 10 K, and is possible to realize over a range of;exchange interactions and anisotropy landscapes. Possible experimental;routes to achieve this unique switching behavior are discussed.;Bergman, Anders/H-7996-2012; Etz, Corina/E-3112-2014; Eriksson, Olle/E-3265-2014;Bergman, Anders/0000-0002-5134-1978;;3;1;0;0;3;1098-0121;WOS:000311805700003;;;J;Harada, S.;Zhou, J. J.;Yao, Y. G.;Inada, Y.;Zheng, Guo-qing;Abrupt enhancement of noncentrosymmetry and appearance of a spin-triplet;superconducting state in Li-2(Pd1-xPtx)(3)B beyond x=0.8;PHYSICAL REVIEW B;86;22;220502;10.1103/PhysRevB.86.220502;DEC 3 2012;2012;We report synthesis, Pt-195, B-11, and Li-7 NMR measurements, and;first-principles band calculations for noncentrosymmetric;superconductors Li-2(Pd1-xPtx)(3)B (x = 0, 0.2, 0.5, 0.8, 0.84, 0.9, and;1). For 0 <= x <= 0.8, the spin-lattice relaxation rate 1/T-1 shows a;clear coherence peak just below T-c, decreasing exponentially at low;temperature, and the Knight shift K-195 decreases below Tc. For x = 0.9;and 1.0, in contrast, 1/T-1 shows no coherence peak but a T-3 variation;and K-195 remains unchanged across T-c. These results indicate that the;superconducting state changes drastically from a spin-singlet dominant;to a spin-triplet dominant state at x = 0.8. We find that the distortion;of B(Pt,Pd)(6) increases abruptly above x = 0.8, which leads to an;abrupt enhancement of the asymmetric spin-orbit coupling as confirmed by;band calculation. Such structure distortion that enhances the extent of;inversion-symmetry breaking is primarily responsible for the pairing;symmetry evolution. The insight obtained here provides a guideline for;searching for noncentrosymmetric superconductors with a large;spin-triplet component.;Yao, Yugui/A-8411-2012; Zheng, Guo-qing/B-1524-2011;6;0;0;0;6;1098-0121;WOS:000311805700002;;;J;Huang, C. L.;Fritsch, V.;Kittler, W.;v. Loehneysen, H.;Low-temperature properties of CeAu2Ge2 single crystals grown from Au-Ge;and Sn flux;PHYSICAL REVIEW B;86;21;214401;10.1103/PhysRevB.86.214401;DEC 3 2012;2012;The specific heat of CeAu2Ge2 single crystals grown from Au-Ge (AGF) or;Sn flux (SF) was measured at temperatures T between 1.8 and 200 K. Two;magnetic transitions are observed in the zero-field specific heat at;12.1 and 14.5 K in the AGF sample, while only a single sharp transition;at 9.2 K is seen in the SF sample, confirming our recent susceptibility;results [Fritsch et al., Phys. Rev. B 84, 104446 (2011)]. We observe;several field-induced transitions in the magnetoresistance of the AGF;sample measured at 1.6 and 2.3 K in accordance with the B-T phase;diagram constructed from isothermal magnetization curves M(B). In;addition, we have measured M(B) under hydrostatic pressure P up to 10.5;kbar. The Neel temperature T-N increases linearly with P at a small rate;of 0.049 K/kbar, which suggests that, if T-N(P) is attributed to a pure;volume effect, this compound is close to the maximum transition;temperature of the Doniach diagram. The transition fields B-M between;the field-induced phases increase linearly with P as well. The;comparable Gruneisen parameters of T-N and B-M indicate that the energy;scale depending on the sample's volume is given by the antiferromagnetic;correlations and not by the Kondo effect. We discuss possible reasons;for the different magnetic behavior of AGF and SF samples.;Huang, Chien-Lung/O-2028-2013;2;0;0;0;2;1098-0121;WOS:000311805500003;;;J;Jadczak, J.;Kubisa, M.;Ryczko, K.;Bryja, L.;Potemski, M.;High magnetic field spin splitting of excitons in asymmetric GaAs;quantum wells;PHYSICAL REVIEW B;86;24;245401;10.1103/PhysRevB.86.245401;DEC 3 2012;2012;Low-temperature photoluminescence from high-quality GaAs quantum wells,;asymmetrically doped with carbon, are investigated under high magnetic;fields (up to 20 T) directed along the [001] growth axis. At higher;fields, in the sigma(-) polarized emission, we observe two well-resolved;lines which are attributed to the recombination of neutral (X) and;charged (X+) excitons. In contrast, only the neutral exciton line is;observed for the sigma(+) polarization. From the difference of the X;line positions for the two polarizations we determine the effective;Zeeman splitting of neutral excitons and then the g factor g(h) of;confined holes. We find that g(h) depends substantially on the well size;and changes the sign at moderate magnetic fields. To explain the;experimental results, the valence Landau levels are calculated using the;Luttinger model beyond the axial approximation. We demonstrate that;mainly the excited hole levels contribute to the excitonic state at;higher magnetic fields. Due to their light-hole character, resulting;from the valence-band mixing, the excited hole states have a sizable;overlap with the electron states confined far from the doped barrier.;The calculated values of g(h) are in an excellent quantitative agreement;with the experimental data.;2;0;0;0;2;1098-0121;WOS:000311806500001;;;J;Lane, Nina J.;Vogel, Sven C.;Hug, Gilles;Togo, Atsushi;Chaput, Laurent;Hultman, Lars;Barsoum, Michel W.;Neutron diffraction measurements and first-principles study of thermal;motion of atoms in select M(n+1)AX(n) and binary MX transition-metal;carbide phases;PHYSICAL REVIEW B;86;21;214301;10.1103/PhysRevB.86.214301;DEC 3 2012;2012;Herein, we compare the thermal vibrations of atoms in select ternary;carbides with the formula M(n+1)AX(n) ("MAX phases," M = Ti, Cr; A = Al,;Si, Ge; X = C, N) as determined from first-principles phonon;calculations to those obtained from high-temperature neutron powder;diffraction studies. The transition metal carbides TiC, TaC, and WC are;also studied to test our methodology on simpler carbides. Good;qualitative and quantitative agreement is found between predicted and;experimental values for the binary carbides. For all the MAX phases;studied-Ti3SiC2, Ti3GeC2, Ti2AlN, Cr2GeC and Ti4AlN3-density functional;theory calculations predict that the A element vibrates with the highest;amplitude and does so anisotropically with a higher amplitude within the;basal plane, which is in line with earlier results from high-temperature;neutron diffraction studies. In some cases, there are quantitative;differences in the absolute values between the theoretical and;experimental atomic displacement parameters (ADPs), such as reversal of;anisotropy or a systematic offset of temperature-dependent ADPs. The;mode-dependent Gruneisen parameters are also computed to explore the;anharmonicity in the system.;Lujan Center, LANL/G-4896-2012;4;0;0;0;4;1098-0121;WOS:000311805500002;;;J;Niemann, R.;Baro, J.;Heczko, O.;Schultz, L.;Faehler, S.;Vives, E.;Manosa, L.;Planes, A.;Tuning avalanche criticality: Acoustic emission during the martensitic;transformation of a compressed Ni-Mn-Ga single crystal;PHYSICAL REVIEW B;86;21;214101;10.1103/PhysRevB.86.214101;DEC 3 2012;2012;The propagation of a phase front during a thermally induced martensitic;transition is discontinuous due to pinning at various defects, an effect;which results in acoustic emission. Here we analyze the consequences of;an applied compressive stress exemplarily on a Ni50.4Mn27.9Ga21.7 single;crystal. Our experiments show that the distribution of the energies of;the acoustic emission events follows a power law for more than three;decades. This indicates that the transition exhibits avalanche;criticality. The exponent characterizing the distribution of energies;depends on the applied stress, and decreases from 1.9 +/- 0.1 at zero;stress to 1.5 +/- 0.2 at stress above 3 MPa. This decrease could be;attributed to the reduced multiplicity of variants possible under;uniaxial compression.;Niemann, Robert/F-3634-2012; Schultz, Ludwig/B-3383-2010; Manosa, Lluis/D-8579-2014; Heczko, Oleg/G-9355-2014; Vives, Eduard/I-4821-2014;Manosa, Lluis/0000-0002-1182-2670; Vives, Eduard/0000-0002-5916-7214;4;0;0;0;4;1098-0121;WOS:000311805500001;;;J;Usui, Hidetomo;Suzuki, Katsuhiro;Kuroki, Kazuhiko;Minimal electronic models for superconducting BiS2 layers;PHYSICAL REVIEW B;86;22;220501;10.1103/PhysRevB.86.220501;DEC 3 2012;2012;We construct minimal electronic models for a newly discovered;superconductor LaO1-xFxBiS2 (T-c = 10.6 K) possessing BiS2 layers based;on a first-principles band calculation. First, we obtain a model;consisting of two Bi 6p and two S 3p orbitals, which give nearly;electron-hole symmetric bands. Further focusing on the bands that;intersect the Fermi level, we obtain a model with two p orbitals. The;two bands (per BiS2 layer) have a quasi-one-dimensional character with a;double minimum dispersion, which gives good nesting of the Fermi;surface. At around x similar to 0.5 the topology of the Fermi surface;changes, so that the density of states at the Fermi level becomes large.;Possible pairing states are discussed.;42;0;0;0;42;1098-0121;WOS:000311805700001;;;J;Cammarata, Antonio;Rondinelli, James M.;Spin-assisted covalent bond mechanism in "charge-ordering" perovskite;oxides;PHYSICAL REVIEW B;86;19;195144;10.1103/PhysRevB.86.195144;NOV 30 2012;2012;First-principles density functional calculations on the metal-insulator;transition (MIT) in perovskite CaFeO3 point to local ferromagnetic;coupling as the microscopic origin for the electronic "charge order";transition. Our atomic, electronic, and magnetic structure analyses;reveal that the MIT results from a spin-assisted covalent bonding;mechanism between the O 2p and Fe 3d states with anisotropic Fe-O bonds;and negligible intersite Fe-Fe charge transfer. We suggest that control;of the lattice distortions, which mediate the covalent bond formation,;in oxides containing late transition-metal row cations in high valence;states provides a platform to tailor electronic transitions.;Rondinelli, James/A-2071-2009; Cammarata, Antonio/A-4883-2014;Rondinelli, James/0000-0003-0508-2175; Cammarata,;Antonio/0000-0002-5691-0682;7;0;0;0;7;1098-0121;WOS:000311715000003;;;J;Clem, John R.;Kogan, V. G.;Kinetic impedance and depairing in thin and narrow superconducting films;PHYSICAL REVIEW B;86;17;174521;10.1103/PhysRevB.86.174521;NOV 30 2012;2012;We use both Eilenberger-Usadel and Ginzburg-Landau (GL) theory to;calculate the superfluid's temperature-dependent kinetic inductance for;all currents up to the depairing current in thin and narrow;superconducting films. The calculations apply to BCS weak-coupling;superconductors with isotropic gaps and transport mean-free paths much;less than the BCS coherence length. The kinetic inductance is calculated;for the response to a small alternating current when the film is;carrying a dc bias current. In the slow-experiment/fast-relaxation;limit, in which the superconducting order parameter quasistatically;follows the time-dependent current, the kinetic inductance diverges as;the bias current approaches the depairing value. However, in the;fast-experiment/slow-relaxiation limit, in which the the superconducting;order parameter remains fixed at a value corresponding to the dc bias;current, the kinetic inductance rises to a finite value at the depairing;current. We then use time-dependent GL theory to calculate the kinetic;impedance of the superfluid, which includes not only the kinetic;reactance, but also the kinetic resistance of the superfluid arising;from dissipation due to order-parameter relaxation. The kinetic;resistance is largest for angular frequencies omega obeying omega tau(s);> 1, where tau(s) is the order-parameter relaxation time, and for bias;currents close to the depairing current. We also include the normal;fluid's contribution to dissipation in deriving an expression for the;total kinetic impedance. The Appendices contain many details about the;temperature-dependent behavior of superconductors carrying current up to;the depairing value.;3;0;0;0;3;1098-0121;WOS:000311714600005;;;J;Cohn, J. L.;Boynton, P.;Trivino, J. S.;Trastoy, J.;White, B. D.;dos Santos, C. A. M.;Neumeier, J. J.;Stoichiometry, structure, and transport in the quasi-one-dimensional;metal Li0.9Mo6O17;PHYSICAL REVIEW B;86;19;195143;10.1103/PhysRevB.86.195143;NOV 30 2012;2012;A correlation between lattice parameters, oxygen composition, and the;thermoelectric and Hall coefficients is presented for single-crystal;Li0.9Mo6O17, a quasi-one-dimensional (Q1D) metallic compound. The;possibility that this compound is a compensated metal is discussed in;light of a substantial variability observed in the literature for these;transport coefficients.;1;0;0;0;1;1098-0121;WOS:000311715000002;;;J;Crepaldi, A.;Ressel, B.;Cilento, F.;Zacchigna, M.;Grazioli, C.;Berger, H.;Bugnon, Ph.;Kern, K.;Grioni, M.;Parmigiani, F.;Ultrafast photodoping and effective Fermi-Dirac distribution of the;Dirac particles in Bi2Se3;PHYSICAL REVIEW B;86;20;205133;10.1103/PhysRevB.86.205133;NOV 30 2012;2012;We exploit time- and angle-resolved photoemission spectroscopy to;determine the evolution of the out-of-equilibrium electronic structure;of the topological insulator Bi2Se3. The response of the Fermi-Dirac;distribution to ultrashort IR laser pulses has been studied by modeling;the dynamics of hot electrons after optical excitation. We disentangle a;large increase in the effective temperature (T*) from a shift of the;chemical potential (mu*), which is consequence of the ultrafast;photodoping of the conduction band. The relaxation dynamics of T* and;mu* are k independent and these two quantities uniquely define the;evolution of the excited charge population. We observe that the energy;dependence of the nonequilibrium charge population is solely determined;by the analytical form of the effective Fermi-Dirac distribution.;14;1;0;0;14;1098-0121;WOS:000311715100007;;;J;Dumlich, Heiko;Reich, Stephanie;Nanotube bundles and tube-tube orientation: A van der Waals density;functional study (vol 84, 064121, 2011);PHYSICAL REVIEW B;86;17;179905;10.1103/PhysRevB.86.179905;NOV 30 2012;2012;0;0;0;0;0;1098-0121;WOS:000311714600007;;;J;Fukutani, Keisuke;Hayashi, Hirokazu;Yakovkin, Ivan N.;Habuchi, Takafumi;Hirayama, Daisuke;Jiang, Jian;Iwasawa, Hideaki;Shimada, Kenya;Losovyj, Ya. B.;Dowben, Peter A.;Enhanced electron-phonon coupling at the Au/Mo(112) surface;PHYSICAL REVIEW B;86;20;205432;10.1103/PhysRevB.86.205432;NOV 30 2012;2012;A detailed investigation of the electronic structure and electron-phonon;coupling for a Au monolayer on the Mo(112) surface is presented. The;electronic states of bulk Mo and the (112) surface-derived states are;seen to strongly hybridize with those of the Au overlayer, resulting in;the formation of surface resonance states localized near the surface and;the interface of Au/Mo(112). The experimentally extracted self-energy;due to the electron-phonon coupling on one of the surface resonance;bands gives a good quantitative agreement with the calculations. The;strength of electron-phonon coupling for Au/Mo(112) is discussed in;terms of the mass enhancement factor and is considerably larger than for;the Mo(112) surface. Such an increase in the mass enhancement factor in;the vicinity of the Fermi level likely derives from the soft surface;phonon modes created upon Au adsorption.;2;0;0;0;2;1098-0121;WOS:000311715100011;;;J;Hamada, Ikutaro;Adsorption of water on graphene: A van der Waals density functional;study;PHYSICAL REVIEW B;86;19;195436;10.1103/PhysRevB.86.195436;NOV 30 2012;2012;The van der Waals density functional (vdW-DF) was used to investigate;the interaction of a water monomer with graphene. It was found that a;variant of vdW-DF [Hamada and Otani, Phys. Rev. B 82, 153412 (2010)];predicts geometries and energetics of water on graphene which are in;good agreement with those obtained using more elaborate random-phase;approximation and quantum Monte Carlo approaches. Interfacial electronic;structures were also analyzed in detail.;Hamada, Ikutaro/E-8040-2010;Hamada, Ikutaro/0000-0001-5112-2452;12;1;0;0;12;1098-0121;WOS:000311715000010;;;J;Hofmann, D.;Kuemmel, S.;Integer particle preference during charge transfer in Kohn-Sham theory;PHYSICAL REVIEW B;86;20;201109;10.1103/PhysRevB.86.201109;NOV 30 2012;2012;We investigate the static and dynamic charge transfer that is triggered;by external electric fields in model molecular wires. A self-interaction;correction in Kohn-Sham density functional theory leads to the desired;integer electron transfers that do not occur with standard functionals;which miss Coulomb blockade effects. Analysis of the multiplicative;exchange-correlation potential in stationary cases and during real-time;propagation shows how the local exchange-correlation potential builds up;step and reverse-step structures that enforce the integer particle;preference. The role of spin-symmetry breaking is discussed.;Kummel, Stephan/K-5634-2014;8;0;0;0;8;1098-0121;WOS:000311715100002;;;J;Illg, Christian;Meyer, Bernd;Faehnle, Manfred;Frequencies and polarization vectors of phonons: Results from force;constants which are fitted to experimental data or calculated ab initio;PHYSICAL REVIEW B;86;17;174309;10.1103/PhysRevB.86.174309;NOV 30 2012;2012;The properties of phonons may be calculated from the dynamical matrix;which is determined by force constants. Often the force constants are;obtained by fitting them to experimental phonon frequencies, e. g., for;wave vectors q on high-symmetry directions of the Brillouin zone. It is;well known that these force constants do not necessarily lead to correct;frequencies for wave vectors for nonsymmetrical q and to correct;polarization vectors. In the present paper this is demonstrated by;comparing for fcc Ni, fcc Al, and bcc Fe the frequencies and;polarization vectors calculated from fitted force constants with the;results from ab initio calculated force constants. However, for most;regions of the Brillouin zone the differences between the results;obtained from the two sets of force constants are not large.;1;0;0;0;1;1098-0121;WOS:000311714600003;;;J;Iori, Federico;Rodolakis, Fanny;Gatti, Matteo;Reining, Lucia;Upton, M.;Shvyd'ko, Y.;Rueff, Jean-Pascal;Marsi, Marino;Low-energy excitations in strongly correlated materials: A theoretical;and experimental study of the dynamic structure factor in V2O3;PHYSICAL REVIEW B;86;20;205132;10.1103/PhysRevB.86.205132;NOV 30 2012;2012;This work contains an experimental and theoretical study of the dynamic;structure factor at large momentum transfer vertical bar Q vertical bar;similar to 4 angstrom(-1) of the strongly correlated transition-metal;oxide V2O3. We focus in particular on the transitions between d states;that give rise to the spectra below 6 eV. We show that the main peak in;this energy range is mainly due to t(2g) -> e(g)(sigma) transitions, and;that it carries a signature of the phase transition between the;paramagnetic insulator and the paramagnetic metal that can already be;understood from the joint density of states calculated at the level of;the static local density approximation. Instead, in order to obtain;theoretical spectra that are overall similar to the measured ones, we;have to go beyond the static approximation and include at least crystal;local field effects. The latter turn out to be crucial in order to;eliminate a spurious peak and hence allow a safe comparison between;theory and experiment, including an analysis of the strong anisotropy of;the spectra.;CSIC-UPV/EHU, CFM/F-4867-2012; Iori, Federico/E-5372-2013; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Iori, Federico/0000-0002-7677-3435;;4;0;0;0;4;1098-0121;WOS:000311715100006;;;J;Kharitonov, Maxim;Antiferromagnetic state in bilayer graphene;PHYSICAL REVIEW B;86;19;195435;10.1103/PhysRevB.86.195435;NOV 30 2012;2012;Motivated by the recent experiment of Velasco Jr. et al. [J. Velasco Jr.;et al., Nat. Nanotechnology 7, 156 (2012)], we develop a mean-field;theory of the interaction-induced antiferromagnetic (AF) state in;bilayer graphene at charge neutrality point at arbitrary perpendicular;magnetic field B. We demonstrate that the AF state can persist at all B.;At higher B, the state continuously crosses over to the AF phase of the;nu = 0 quantum Hall ferromagnet, recently argued to be realized in the;insulating nu = 0 state. The mean-field quasiparticle gap is finite at B;= 0 and grows with increasing B, becoming quasilinear in the quantum;Hall regime, in accord with the reported behavior of the transport gap.;By adjusting the two free parameters of the model, we obtain a;simultaneous quantitative agreement between the experimental and;theoretical values of the key parameters of the gap dependence-its;zero-field value and slope at higher fields. Our findings suggest that;the insulating state observed in bilayer graphene in Ref. 1 is;antiferromagnetic (canted, once the Zeeman effect is taken into account);at all magnetic fields.;19;1;0;0;19;1098-0121;WOS:000311715000009;;;J;Klos, J. W.;Kumar, D.;Romero-Vivas, J.;Fangohr, H.;Franchin, M.;Krawczyk, M.;Barman, A.;Effect of magnetization pinning on the spectrum of spin waves in;magnonic antidot waveguides;PHYSICAL REVIEW B;86;18;184433;10.1103/PhysRevB.86.184433;NOV 30 2012;2012;We study the spin-wave spectra in magnonic antidot waveguides (MAWs) for;two limiting cases (strong and negligible) of the surface anisotropy at;the ferromagnet/air interface. The MAWs under investigation have the;form of a thin stripe of permalloy with a single row of periodically;arranged antidots in the middle. The introduction of a magnetization;pinning at the edges of the permalloy stripe and the edges of antidots;is found to modify the spin-wave spectrum. This effect is shown to be;necessary for magnonic gaps to open in the considered systems. Our study;demonstrates that the surface anisotropy can be crucial in the practical;applications of MAWs and related structures and in the interpretation of;experimental results in one-and two-dimensional magnonic crystals. We;used three different numerical methods, i.e., plane waves method (PWM),;finite difference method, and finite element method to validate the;results. We showed that PWM in the present formulation assumes pinned;magnetization, while in micromagnetic simulations special care must be;taken to introduce pinning.;Fangohr, Hans/C-6367-2008; Klos, Jaroslaw/G-9728-2012;Fangohr, Hans/0000-0001-5494-7193; Klos, Jaroslaw/0000-0002-5858-2950;13;2;0;0;13;1098-0121;WOS:000311714700002;;;J;Kolata, K.;Koester, N. S.;Chernikov, A.;Drexler, M. J.;Gatti, E.;Cecci, S.;Chrastina, D.;Isella, G.;Guzzi, M.;Chatterjee, S.;Dephasing in Ge/SiGe quantum wells measured by means of coherent;oscillations;PHYSICAL REVIEW B;86;20;201303;10.1103/PhysRevB.86.201303;NOV 30 2012;2012;We present a dephasing time analysis of the excitonic resonances in;Ge/SiGe quantum wells for various lattice temperatures by coherent;oscillation spectroscopy (COS). The results are compared to the;linewidths of the excitonic resonances determined from linear absorption;measurements. Additionally, COS is applied to different samples with;varying linewidth, identifying one sample with a dominating;homogeneously broadened 1s excitonic resonance down to 7 K.;Chatterjee, Sangam/E-3124-2012;2;0;0;0;2;1098-0121;WOS:000311715100003;;;J;Lang, Li-Jun;Chen, Shu;Majorana fermions in density-modulated p-wave superconducting wires;PHYSICAL REVIEW B;86;20;205135;10.1103/PhysRevB.86.205135;NOV 30 2012;2012;We study the p-wave superconducting wire with a periodically modulated;chemical potential and show that the Majorana edge states are robust;against the periodic modulation. We find that the critical amplitude of;modulated potential, at which the Majorana edge fermions and topological;phase disappear, strongly depends on the phase shifts. For some specific;values of the phase shift, the critical amplitude tends to infinity. The;existence of Majorana edge fermions in the open chain can be;characterized by a topological Z(2) invariant of the bulk system, which;can be applied to determine the phase boundary between the topologically;trivial and nontrivial superconducting phases. We also demonstrate the;existence of the zero-energy peak in the spectral function of the;topological superconducting phase, which is only sensitive to the open;boundary condition but robust against the disorder.;Lang, Li-Jun/C-2815-2014;Lang, Li-Jun/0000-0001-6038-8340;11;0;0;0;11;1098-0121;WOS:000311715100009;;;J;Lazicki, Amy;Dewaele, Agnes;Loubeyre, Paul;Mezouar, Mohamed;High-pressure-temperature phase diagram and the equation of state of;beryllium;PHYSICAL REVIEW B;86;17;174118;10.1103/PhysRevB.86.174118;NOV 30 2012;2012;X-ray diffraction of beryllium in a laser-heated diamond anvil cell;provides experimental insight into its behavior at high pressure and;temperature. We measure the cold compression of Be in helium and NaCl;pressure media up 192 GPa, and its thermal expansion up to 82 GPa and;2630 K. The new measurements form a P-V-T data set which is fit by the;Vinet-Debye form to establish a Be experimental equation of state. We;compare the results to several theoretical models. The crystal structure;of Be is determined up to 205 GPa and 4000 K; no evidence for the;predicted high-temperature transition to a cubic phase is found.;Finally, the maximum temperature stability of the solid phase along;isobaric heating ramps gives a lower bound for the melting curve.;5;0;0;0;5;1098-0121;WOS:000311714600002;;;J;Li, J.;Ekuma, C. E.;Vekhter, I.;Jarrell, M.;Moreno, J.;Stadler, S.;Karki, A. B.;Jin, R.;Physical properties of Ba2Mn2Sb2O single crystals;PHYSICAL REVIEW B;86;19;195142;10.1103/PhysRevB.86.195142;NOV 30 2012;2012;We report both experimental and theoretical investigations of the;physical properties of Ba2Mn2Sb2O single crystals. This material;exhibits a hexagonal structure with lattice constants a = 4.7029(15) A;and c = 19.9401(27) A, as obtained from powder x-ray diffraction;measurements, and in agreement with structural optimization through;density functional theory (DFT) calculations. The magnetic;susceptibility and specific heat show anomalies at T-N = 60 K,;consistent with antiferromagnetic ordering. However, the magnitude of;T-N is significantly smaller than the Curie-Weiss temperature (vertical;bar Theta(CW)vertical bar approximate to 560 K), suggesting a magnetic;system of reduced dimensionality. The temperature dependence of both the;in-plane and out-of-plane resistivity changes from activated at T > T-x;similar to 200 K to logarithmic at T < T-x. Correspondingly, the;magnetic susceptibility displays a bump at T-x. DFT calculations at the;DFT + U level support the experimental observation of an;antiferromagnetic ground state.;Vekhter, Ilya/M-1780-2013; Moreno, Juana/D-5882-2012;0;0;0;0;0;1098-0121;WOS:000311715000001;;;J;Mafra, D. L.;Kong, J.;Sato, K.;Saito, R.;Dresselhaus, M. S.;Araujo, P. T.;Using gate-modulated Raman scattering and electron-phonon interactions;to probe single-layer graphene: A different approach to assign phonon;combination modes;PHYSICAL REVIEW B;86;19;195434;10.1103/PhysRevB.86.195434;NOV 30 2012;2012;Gate-modulated and laser-dependent Raman spectroscopy have been widely;used to study q = 0 zone center phonon modes, their self-energy, and;their coupling to electrons in graphene systems. In this work we use;gate-modulated Raman of q not equal 0 phonons as a technique to;understand the nature of five second-order Raman combination modes;observed in the frequency range of 1700-2300 cm(-1) of single-layer;graphene (SLG). Anomalous phonon self-energy renormalization phenomena;are observed in all five combination modes within this intermediate;frequency region, which can clearly be distinguished from one another.;By combining the anomalous phonon renormalization effect with the double;resonance Raman theory, which includes both phonon dispersion relations;and angular dependence of the electron-phonon scattering matrix;elements, and by comparing it to the experimentally obtained phonon;dispersion, measured by using different laser excitation energies, we;can assign each Raman peak to the proper phonon combination mode. This;approach should also shed light on the understanding of more complex;structures such as few-layer graphene (FLG) and its stacking orders as;well as other two-dimensional (2D)-like materials.;Sato, Kentaro/B-7163-2008; Saito, Riichiro/B-1132-2008;Sato, Kentaro/0000-0001-6706-2175;;5;2;1;0;5;1098-0121;WOS:000311715000008;;;J;Mazza, Giacomo;Fabrizio, Michele;Dynamical quantum phase transitions and broken-symmetry edges in the;many-body eigenvalue spectrum;PHYSICAL REVIEW B;86;18;184303;10.1103/PhysRevB.86.184303;NOV 30 2012;2012;Many-body models undergoing a quantum phase transition to a;broken-symmetry phase that survives up to a critical temperature must;possess, in the ordered phase, symmetric as well as nonsymmetric;eigenstates. We predict, and explicitly show in the fully connected;Ising model in a transverse field, that these two classes of eigenstates;do not overlap in energy, and therefore that an energy edge exists;separating low-energy symmetry-breaking eigenstates from high-energy;symmetry-invariant ones. This energy is actually responsible, as we;show, for the dynamical phase transition displayed by this model under a;sudden large increase of the transverse field. A second situation we;consider is the opposite, where the symmetry-breaking eigenstates are;those in the high-energy sector of the spectrum, whereas the low-energy;eigenstates are symmetric. In that case too a special energy must exist;marking the boundary and leading to unexpected out-of-equilibrium;dynamical behavior. An example is the fermonic repulsive Hubbard model;Hamiltonian H. Exploiting the trivial fact that the high-energy spectrum;of H is also the low-energy one of -H, we conclude that the high-energy;eigenstates of the Hubbard model are superfluid. Simulating in a;time-dependent Gutzwiller approximation the time evolution of a;high-energy BCS-like trial wave function, we show that a small;superconducting order parameter will actually grow in spite of the;repulsive nature of the interaction.;fabrizio, michele/N-3762-2014;2;0;0;0;2;1098-0121;WOS:000311714700001;;;J;Mueller, T.;Aharonovich, I.;Wang, Z.;Yuan, X.;Castelletto, S.;Prawer, S.;Atatuere, M.;Phonon-induced dephasing of chromium color centers in diamond;PHYSICAL REVIEW B;86;19;195210;10.1103/PhysRevB.86.195210;NOV 30 2012;2012;We report on the coherence properties of single photons from;chromium-based color centers in diamond. We use field-correlation and;spectral line-shape measurements to reveal the interplay between slow;spectral wandering and fast dephasing mechanisms as a function of;temperature. The zero-phonon transition frequency and its linewidth;follow a power-law dependence on temperature, which is consistent with;direct electron-phonon coupling and phonon-modulated Coulomb coupling to;nearby impurities, which are the predominant fast dephasing mechanisms;for these centers. Further, the observed reduction in the quantum yield;for photon emission as a function of temperature suggests the opening of;additional nonradiative channels through thermal activation to;higher-energy states and indicates a near-unity quantum efficiency at 4;K.;castelletto, stefania/G-1516-2011; McKenzie, Warren/J-2137-2014;3;0;0;0;3;1098-0121;WOS:000311715000007;;;J;Murthy, Ganpathy;Shankar, R.;Hamiltonian theory of fractionally filled Chern bands;PHYSICAL REVIEW B;86;19;195146;10.1103/PhysRevB.86.195146;NOV 30 2012;2012;There is convincing numerical evidence that fractional quantum-Hall-like;ground states arise in fractionally filled Chern bands. Here, we show;that the Hamiltonian theory of composite fermions (CF) can be as useful;in describing these states as it was in describing the fractional;quantum Hall effect (FQHE) in the continuum. We are able to introduce;CFs into the fractionally filled Chern-band problem in two stages.;First, we construct an algebraically exact mapping which expresses the;electron density projected to the Chern band rho(FCB) as a sum of;Girvin-MacDonald-Platzman density operators rho(GMP) that obey the;magnetic translation algebra. Next, following our Hamiltonian treatment;of the FQH problem, we rewrite the operators rho(GMP) in terms of CF;variables which reproduce the same algebra. This naturally produces a;unique Hartree-Fock ground state for the CFs, which can be used as a;springboard for computing gaps, response functions,;temperature-dependent phenomena, and the influence of disorder. We give;two concrete examples, one of which has no analog in the continuum FQHE;with nu = 1/5 and sigma(xy) = 2/5. Our approach can be easily extended;to fractionally filled, strongly interacting two-dimensional;time-reversal-invariant topological insulators.;15;0;0;0;15;1098-0121;WOS:000311715000005;;;J;Ovsyannikov, Sergey V.;Morozova, Natalia V.;Karkin, Alexander E.;Shchennikov, Vladimir V.;High-pressure cycling of hematite alpha-Fe2O3: Nanostructuring, in situ;electronic transport, and possible charge disproportionation;PHYSICAL REVIEW B;86;20;205131;10.1103/PhysRevB.86.205131;NOV 30 2012;2012;We studied electronic transport properties of hematite (alpha-Fe2O3) at;room temperature under cycling of high pressure up to similar to 22 GPa.;The original samples and those recovered after high-pressure experiments;were examined by x-ray diffraction and Raman and optical absorption;spectroscopy. At ambient pressure the original samples were also;characterized by temperature measurements of electrical and;galvanomagnetic properties. Upon compression, the original single;crystals underwent a sluggish structural deconfinement starting above 5;GPa into a nanometric state. Above 5-7 GPa, the nanostructured hematite;showed a reversible transition to a state with enhanced electrical;conductivity and moderate values of thermoelectric power (Seebeck;effect) of about -150 mu V/K. This electronic phase corresponds to;neither conventional trivalent oxidation state of the iron ions in;hematite nor metallic conductivity. Analysis of the electronic transport;data in the frameworks of two models, of polaron hopping, and of;intrinsic semiconductor conductivity, revealed a change from the;electron conductivity to two-band electrical conductivity and suggested;that the observed enhancement of the electrical properties in;nanocrystalline alpha-Fe2O3 above 5-7 GPa is related to the;mixed-valence state of the iron ions. Since alpha-Fe2O3 is believed to;undergo a "spin-flop" (Morin) transition near 2-5 GPa at room;temperature, we discuss potential contributions of magnetoelastic and;other effects to the observed high-pressure properties of hematite.;Ovsyannikov, Sergey/J-7802-2012; Morozova, Natalia/J-3568-2013; Karkin, Alexander/J-6712-2013; Shchennikov, Vladimir/J-8533-2013;Morozova, Natalia/0000-0002-2377-1372; Karkin,;Alexander/0000-0003-0464-4762; Shchennikov, Vladimir/0000-0003-2887-1652;4;0;0;0;4;1098-0121;WOS:000311715100005;;;J;Pielawa, Susanne;Berg, Erez;Sachdev, Subir;Frustrated quantum Ising spins simulated by spinless bosons in a tilted;lattice: From a quantum liquid to antiferromagnetic order;PHYSICAL REVIEW B;86;18;184435;10.1103/PhysRevB.86.184435;NOV 30 2012;2012;We study spinless bosons in a decorated square lattice with a;near-diagonal tilt. The resonant subspace of the tilted Mott insulator;is described by an effective Hamiltonian of frustrated quantum Ising;spins on a nonbipartite lattice. This generalizes an earlier proposal;for the unfrustrated quantum Ising model in one dimension which was;realized in a recent experiment on ultracold Rb-87 atoms in an optical;lattice. Very close to diagonal tilt, we find a quantum liquid state;which is continuously connected to the paramagnet. Frustration can be;reduced by increasing the tilt angle away from the diagonal, and the;system undergoes a transition to an antiferromagnetically ordered state.;Using quantum Monte Carlo simulations and exact diagonalization, we find;that for realistic system sizes the antiferromagnetic order appears to;be quasi-one-dimensional, however, in the thermodynamic limit the order;is two-dimensional.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;1;0;0;0;1;1098-0121;WOS:000311714700004;;;J;Popov, V. V.;Polischuk, O. V.;Davoyan, A. R.;Ryzhii, V.;Otsuji, T.;Shur, M. S.;Plasmonic terahertz lasing in an array of graphene nanocavities;PHYSICAL REVIEW B;86;19;195437;10.1103/PhysRevB.86.195437;NOV 30 2012;2012;We propose a novel concept of terahertz lasing based on stimulated;generation of plasmons in a planar array of graphene resonant;micro/nanocavities strongly coupled to terahertz radiation. Due to the;strong plasmon confinement and superradiant nature of terahertz emission;by the array of plasmonic nanocavities, the amplification of terahertz;waves is enhanced by many orders of magnitude at the plasmon resonance;frequencies. We show that the lasing regime is ensured by the balance;between the plasmon gain and plasmon radiative damping.;Davoyan, Artur/K-8567-2013;Davoyan, Artur/0000-0002-4662-1158;15;0;0;0;15;1098-0121;WOS:000311715000011;;;J;Romanov, Sergei G.;Vogel, Nicolas;Bley, Karina;Landfester, Katharina;Weiss, Clemens K.;Orlov, Sergej;Korovin, Alexander V.;Chuiko, Gennady P.;Regensburger, Alois;Romanova, Alexandra S.;Kriesch, Arian;Peschel, Ulf;Probing guided modes in a monolayer colloidal crystal on a flat metal;film;PHYSICAL REVIEW B;86;19;195145;10.1103/PhysRevB.86.195145;NOV 30 2012;2012;Two-dimensional slab hybrid metal-dielectric photonic crystals, which;are prepared by assembling polymer colloidal spheres into closely packed;monolayers of hexagonal symmetry on a gold-coated glass substrate, show;an improved confinement of light compared with a colloidal monolayer on;a glass substrate. We demonstrated that the optical response of such;hybrid crystals consists of diffractively coupled waveguiding modes,;Fabry-Perot resonances, and Mie resonances. Correspondingly, two major;mechanisms, namely, band transport and hopping of localized excitations,;participate in the in-plane light transport in such hybrid crystals.;Weiss, Clemens/C-9932-2009; Peschel, Ulf/C-3356-2013; Romanov, Sergei/H-6868-2013; Kriesch, Arian/A-7337-2011;Weiss, Clemens/0000-0001-8559-0385; Romanov, Sergei/0000-0003-0546-9505;;Kriesch, Arian/0000-0002-8347-0344;6;1;0;0;6;1098-0121;WOS:000311715000004;;;J;Schoop, Leslie;Muechler, Lukas;Schmitt, Jennifer;Ksenofontov, Vadim;Medvedev, Sergey;Nuss, Juergen;Casper, Frederick;Jansen, Martin;Cava, R. J.;Felser, Claudia;Effect of pressure on superconductivity in NaAlSi;PHYSICAL REVIEW B;86;17;174522;10.1103/PhysRevB.86.174522;NOV 30 2012;2012;The ternary superconductor NaAlSi, isostructural with LiFeAs, the "111";iron pnictide superconductor, is investigated under pressure. The;structure remains stable up to 15 GPa. Resistivity and susceptibility;measurements show an increase of T-c up to 2 GPa, followed by a decrease;until superconductivity disappears at 4.8 GPa. Band structure;calculations show that pressure should have a negligible effect on the;electronic structure and the Fermi surface and thus the disappearance of;superconductivity under pressure must have a different origin. We;compare the electronic structure of NaAlSi under pressure with that of;nonsuperconducting isostructural NaAlGe.;Felser, Claudia/A-5779-2009; Casper, Frederick/A-5782-2009; Nuss, Juergen/G-2711-2010; Muchler, Lukas/A-4628-2013; Schoop, Leslie/A-4627-2013;Nuss, Juergen/0000-0002-0679-0184; Schoop, Leslie/0000-0003-3459-4241;1;0;0;0;1;1098-0121;WOS:000311714600006;;;J;Schwier, E. F.;Scherwitzl, R.;Vydrova, Z.;Garcia-Fernandez, M.;Gibert, M.;Zubko, P.;Garnier, M. G.;Triscone, J. -M.;Aebi, P.;Unusual temperature dependence of the spectral weight near the Fermi;level of NdNiO3 thin films;PHYSICAL REVIEW B;86;19;195147;10.1103/PhysRevB.86.195147;NOV 30 2012;2012;We investigate the behavior of the spectral weight near the Fermi level;of NdNiO3 thin films as a function of temperature across the;metal-to-insulator transition (MIT) by means of ultraviolet;photoelectron spectroscopy. The spectral weight was found to exhibit;thermal hysteresis, similar to that of the dc conductivity. A detailed;analysis of the temperature dependence reveals two distinct regimes of;spectral loss close to the Fermi level. The temperature evolution of one;regime is found to be independent of the MIT.;Garcia-Fernandez, Mirian/B-6018-2013; Zubko, Pavlo/B-5496-2009;Zubko, Pavlo/0000-0002-7330-3163;2;0;0;0;2;1098-0121;WOS:000311715000006;;;J;Sen, Arnab;Damle, Kedar;Moessner, R.;Vacancy-induced spin textures and their interactions in a classical spin;liquid;PHYSICAL REVIEW B;86;20;205134;10.1103/PhysRevB.86.205134;NOV 30 2012;2012;Motivated by experiments on the archetypal frustrated magnet;SrCr9pGa12-9pO19 (SCGO), we study the classical Heisenberg model on the;pyrochlore slab (kagome bilayer) lattice with site dilution x = 1 - p.;This allows us to address generic aspects of the physics of nonmagnetic;vacancies in a classical spin liquid. We explicitly demonstrate that the;pure (x = 0) system remains a spin liquid down to the lowest;temperatures, with an unusual nonmonotonic temperature dependence of the;susceptibility, which even turns diamagnetic for the apical spins;between the two kagome layers. For x > 0 but small, the low-temperature;magnetic response of the system is most naturally described in terms of;the properties of spatially extended spin textures that cloak an;"orphan" S = 3/2 Cr3+ spin in direct proximity to a pair of missing;sites belonging to the same triangular simplex. In the T -> 0 limit,;these orphan-texture complexes each carry a net magnetization that is;exactly half the magnetic moment of an individual spin of the undiluted;system. Furthermore, we demonstrate that they interact via an entropic;temperature-dependent pairwise exchange interaction J(eff) (T,(r) over;right arrow) similar to T J ((r) over right arrow root T) that has a;logarithmic form at short distances and decays exponentially beyond a;thermal correlation length xi(T) similar to 1/root T. The sign of J(eff);depends on whether the two orphan spins belong to the same kagome layer;or not. We provide a detailed analytical account of these properties;using an effective field theory approach specifically tailored for the;problem at hand. These results are in quantitative agreement with;large-scale Monte Carlo numerics.;3;1;0;0;3;1098-0121;WOS:000311715100008;;;J;Solanki, Ravindra Singh;Mishra, S. K.;Senyshyn, Anatoliy;Ishii, I.;Moriyoshi, Chikako;Suzuki, Takashi;Kuroiwa, Yoshihiro;Pandey, Dhananjai;Antiferrodistortive phase transition in pseudorhombohedral;(Pb0.94Sr0.06)( Zr0.550Ti0.450)O-3: A combined synchrotron x-ray and;neutron powder diffraction study;PHYSICAL REVIEW B;86;17;174117;10.1103/PhysRevB.86.174117;NOV 30 2012;2012;The controversies about the structure of the true ground state of;pseudorhombohedral compositions of Pb(ZrxTi1-x)O-3 (PZT) are addressed;using a 6% Sr2+ substituted sample with x = 0.550. Sound velocity;measurements reveal a phase transition at T-c similar to 279 K. The;temperature dependence of full width at half maximum of (h00)(pc) peaks;and the unit cell volume also show anomalies around 279 K even though;there is no indication of any change of space group in the synchrotron;x-ray powder diffraction (SXRD) patterns. The neutron powder diffraction;patterns reveal appearance of superlattice peaks below T-c similar to;279 K, confirming the existence of an antiferrodistortive phase;transition. The Rietveld analysis of the room-temperature and;low-temperature SXRD data below T-c shows that the structure corresponds;to single monoclinic phase in the Cm space group while the analysis of;neutron powder diffraction data reveals that the structure of the;ground-state phase below T-c corresponds to the Cc space group. Our;analysis shows that the structural models for the ground-state phase;based on the R3c space group with or without the coexistence of the;room-temperature monoclinic phase in the Cm space group can be rejected.;SOLANKI, RAVINDRA /H-7221-2013; Senyshyn, Anatoliy/C-8267-2014;Senyshyn, Anatoliy/0000-0002-1473-8992;3;0;0;0;3;1098-0121;WOS:000311714600001;;;J;Steinke, N. -J.;Moore, T. A.;Mansell, R.;Bland, J. A. C.;Barnes, C. H. W.;Nonuniversal dynamic magnetization reversal in the Barkhausen-dominated;and mesofrequency regimes;PHYSICAL REVIEW B;86;18;184434;10.1103/PhysRevB.86.184434;NOV 30 2012;2012;Dynamic magnetization reversal in the mesofrequency range is studied by;ac magneto-optical Kerr effect (ac-MOKE) and ac anisotropic;magnetoresistance (ac-AMR) magnetometry in a series of epitaxial and;polycrystalline thin magnetic films. The dynamic coercive field was;found to scale as a power law with scaling exponents <= 1/2 depending on;the ferromagnetic material. In addition, there is a low sweep rate;regime in which the dynamic coercivity reaches a minimum. These findings;are explained in the context of reversal proceeding by motion of a few;domain walls (similar to 1). At dc and low field sweep rates the;reversal proceeds between local pinning sites via Barkhausen avalanches;and the overall reversal speed is strongly dependent on the field sweep;rate. At higher field sweep rates a continuous motion regime is entered;in which the reversal velocity depends linearly on the applied field;sweep rate and only an average pinning force is experienced by the wall.;The fit of the dynamic coercivity vs applied field sweep rate allows the;determination of the average nonlocal pinning field. The nonuniversal;scaling exponent can be explained using recently developed models and;introducing a field rate-dependent number of active domain walls.;Mansell, Rhodri/A-1450-2013;2;0;0;0;2;1098-0121;WOS:000311714700003;;;J;Stoffel, M.;Fagot-Revurat, Y.;Tejeda, A.;Kierren, B.;Nicolaou, A.;Le Fevre, P.;Bertran, F.;Taleb-Ibrahimi, A.;Malterre, D.;Electron-phonon coupling on strained Ge/Si(111)-(5x5) surfaces;PHYSICAL REVIEW B;86;19;195438;10.1103/PhysRevB.86.195438;NOV 30 2012;2012;We investigate the structural and electronic properties of strained;Ge/Si(111)-(5 x 5) surfaces by means of scanning tunneling microscopy;and high-resolution angle-resolved photoemission spectroscopy. The;homogeneous (5 x 5) reconstructed overlayers are characterized by three;electronic surface states, similar to the Si(111)-(7 x 7) surface. The;dispersion of the dangling bond related surface state exhibits the same;periodicity as that of the (5 x 5) reconstruction. Moreover, a careful;analysis of the shape and width of this surface state provides striking;evidence of electron-phonon coupling at low temperatures. By considering;the spectral function within a simple Debye model, we determine both the;Debye energy and the electron-phonon coupling strength. The latter value;is further confirmed by analyzing the temperature-dependent phonon;broadening of the dangling bond related surface state linewidth.;BERTRAN, Francois/B-7515-2008; Tejeda, Antonio/C-4711-2014;BERTRAN, Francois/0000-0002-2416-0514; Tejeda,;Antonio/0000-0003-0125-4603;1;0;0;0;1;1098-0121;WOS:000311715000012;;;J;Turek, I.;Kudrnovsky, J.;Carva, K.;Magnetic anisotropy energy of disordered tetragonal Fe-Co systems from;ab initio alloy theory;PHYSICAL REVIEW B;86;17;174430;10.1103/PhysRevB.86.174430;NOV 30 2012;2012;We present results of systematic fully relativistic first-principles;calculations of the uniaxial magnetic anisotropy energy (MAE) of a;disordered and partially ordered tetragonal Fe-Co alloy using the;coherent potential approximation (CPA). This alloy has recently become a;promising system for thin ferromagnetic films with a perpendicular;magnetic anisotropy. We find that existing theoretical approaches to;homogeneous random bulk Fe-Co alloys, based on a simple virtual crystal;approximation (VCA), overestimate the maximum MAE values obtained in the;CPA by a factor of 4. This pronounced difference is ascribed to the;strong disorder in the minority spin channel of real alloys, which is;neglected in the VCA and which leads to a broadening of the d-like;eigenstates at the Fermi energy and to the reduction of the MAE. The;ordered Fe-Co alloys with a maximum L1(0)-like atomic long-range order;can exhibit high values of the MAE, which, however, get dramatically;reduced by small perturbations of the perfect order.;Carva, Karel/A-3703-2008; Turek, Ilja/G-5553-2014; KUDRNOVSKY, Josef/G-5581-2014;KUDRNOVSKY, Josef/0000-0002-9968-6748;10;0;0;0;10;1098-0121;WOS:000311714600004;;;J;Uppstu, Andreas;Harju, Ari;High-field magnetoresistance revealing scattering mechanisms in graphene;PHYSICAL REVIEW B;86;20;201409;10.1103/PhysRevB.86.201409;NOV 30 2012;2012;We show that the type of charge carrier scattering significantly affects;the high-field magnetoresistance of graphene nanoribbons. This effect;has the potential to be used in identifying the scattering mechanisms in;graphene. The results also provide an explanation for the experimentally;found, intriguing differences in the behavior of the magnetoresistance;of graphene Hall bars placed on different substrates. Additionally, our;simulations indicate that the peaks in the longitudinal resistance tend;to become pinned to fractionally quantized values, as different;transport modes have very different scattering properties.;Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;1;0;0;0;1;1098-0121;WOS:000311715100004;;;J;White, Alexander J.;Sukharev, Maxim;Galperin, Michael;Molecular nanoplasmonics: Self-consistent electrodynamics in;current-carrying junctions;PHYSICAL REVIEW B;86;20;205324;10.1103/PhysRevB.86.205324;NOV 30 2012;2012;We consider a biased molecular junction subjected to an external;time-dependent electromagnetic field. We discuss local field formation;due to both surface plasmon-polariton excitations in the contacts and;the molecular response. Employing realistic parameters we demonstrate;that such self-consistent treatment is crucial for the proper;description of the junction transport characteristics.;White, Alexander/D-8754-2014;White, Alexander/0000-0002-7771-3899;3;0;0;0;3;1098-0121;WOS:000311715100010;;;J;Wierschem, Keola;Kato, Yasuyuki;Nishida, Yusuke;Batista, Cristian D.;Sengupta, Pinaki;Magnetic and nematic orderings in spin-1 antiferromagnets with;single-ion anisotropy;PHYSICAL REVIEW B;86;20;201108;10.1103/PhysRevB.86.201108;NOV 30 2012;2012;We study a spin-1 Heisenberg model with exchange interaction J, uniaxial;single-ion exchange anisotropy D, and Zeeman coupling to a magnetic;field B parallel to the symmetry axis. We compute the (D/J, B/J) quantum;phase diagram for square and simple cubic lattices by combining;analytical and quantum Monte Carlo approaches, and find a transition;between XY antiferromagnetic and ferronematic phases that spontaneously;break the U(1) symmetry of the model. In the language of bosonic gases,;this is a transition between a Bose-Einstein condensate (BEC) of single;bosons and a BEC of pairs. Our work opens up new avenues for measuring;this transition in real magnets.;8;0;0;0;8;1098-0121;WOS:000311715100001;;;J;Wu, Chien-Te;Valls, Oriol T.;Halterman, Klaus;Proximity effects in conical-ferromagnet/superconductor bilayers;PHYSICAL REVIEW B;86;18;184517;10.1103/PhysRevB.86.184517;NOV 30 2012;2012;We present a study of various aspects of proximity effects in F/S;(ferromagnet/superconductor) bilayers, where F has a spiral magnetic;texture such as that found in holmium, erbium, and other materials, and;S is a conventional s-wave superconductor. We numerically solve the;Bogoliubov-de Gennes (BdG) equations self-consistently and use the;solutions to compute physical quantities relevant to the proximity;effects in these bilayers. We obtain the relation between the;superconducting transition temperature T-c and the thicknesses d(F) of;the magnetic layer by solving the linearized BdG equations. We find that;the T-c (d(F)) curves include multiple oscillations. Moreover, the;system may be reentrant not only with d(F), as is the case when the;magnet is uniform, but also with temperature T : the superconductivity;disappears in certain ranges of d(F) or T. The T reentrance reported;here occurs when d(F) is larger than the spatial period of the conical;exchange field. We compute the condensation free energies and entropies;from the full BdG equations and find the results are in agreement with;T-c values obtained by linearization. The inhomogeneous nature of the;magnet makes it possible for all odd triplet pairing components to be;induced. We have investigated their properties and found that, as;compared to the singlet amplitude, both the m = 0 and +/- 1 triplet;components exhibit long-range penetration. For nanoscale bilayers, the;proximity lengths for both layers are also obtained. These lengths;oscillate with d(F) and they are found to be long range on both sides.;These results are shown to be consistent with recent experiments. We;also calculate the reverse proximity effect described by the;three-dimensional local magnetization, and the local density of states,;which reveals important energy-resolved signatures associated with the;proximity effects.;6;0;0;0;6;1098-0121;WOS:000311714700005;;;J;Altarelli, M.;Kurta, R. P.;Vartanyants, I. A.;X-ray cross-correlation analysis and local symmetries of disordered;systems: General theory (vol 82, 104207, 2010);PHYSICAL REVIEW B;86;17;179904;10.1103/PhysRevB.86.179904;NOV 29 2012;2012;1;0;0;0;1;1098-0121;WOS:000311693600006;;;J;Beheshtian, J.;Sadeghi, A.;Neek-Amal, M.;Michel, K. H.;Peeters, F. M.;Induced polarization and electronic properties of carbon-doped boron;nitride nanoribbons;PHYSICAL REVIEW B;86;19;195433;10.1103/PhysRevB.86.195433;NOV 29 2012;2012;The electronic properties of boron nitride nanoribbons (BNNRs) doped;with a line of carbon atoms are investigated using density functional;calculations. By replacing a line of alternating B and N atoms with;carbons, three different configurations are possible depending on the;type of the atoms which bond to the carbons. We found very different;electronic properties for these configurations: (i) the NCB arrangement;is strongly polarized with a large dipole moment having an unexpected;direction, (ii) the BCB and NCN arrangements are nonpolar with zero;dipole moment, (iii) the doping by a carbon line reduces the band gap;regardless of the local arrangement of the borons and the nitrogens;around the carbon line, and (iv) the polarization and energy gap of the;carbon-doped BNNRs can be tuned by an electric field applied parallel to;the carbon line. Similar effects were found when either an armchair or;zigzag line of carbon was introduced.;Sadeghi, Ali/D-1554-2013;8;0;0;0;8;1098-0121;WOS:000311694200006;;;J;Chi, Hang;Kim, Hyoungchul;Thomas, John C.;Su, Xianli;Stackhouse, Stephen;Kaviany, Massoud;Van der Ven, Anton;Tang, Xinfeng;Uher, Ctirad;Configuring pnicogen rings in skutterudites for low phonon conductivity;PHYSICAL REVIEW B;86;19;195209;10.1103/PhysRevB.86.195209;NOV 29 2012;2012;Dominant heat-carrying modes in skutterudites are associated with;vibrations of the pnicogen rings. Apart from filling the structural;cages with foreign species, disrupting the pnicogen ring structure by;substitutional alloying should be an effective approach to reduce;thermal conductivity. In this paper we explore alloying configurations;of pnicogen rings (Sb rings in the case of CoSb3) that yield;particularly low values of the thermal conductivity. We find that IV-VI;double substitution (replacing two Sb atoms with one atom each from the;column IV and column VI elements to achieve an average charge of two Sb;atoms) is a very effective approach. Our ab initio calculations, in;combination with a cluster expansion, have allowed us to identify stable;alloy configurations on the Sb rings. Subsequent molecular and lattice;dynamics simulations on low energy configurations establish the range of;atomic displacement parameters and values of the thermal conductivity.;Theoretical results are in good agreement with our experimental thermal;conductivity values. Combining both approaches of compensated double;substitution and filling of structural cages should be an effective way;of improving the thermoelectric figure of merit of skutterudites.;Su, Xianli/A-9685-2012; Chi, Hang/F-1537-2011; Thomas, John/A-2764-2009; Kim, Hyoungchul/F-2557-2014;Chi, Hang/0000-0002-1299-1150; Thomas, John/0000-0002-3162-0152; Kim,;Hyoungchul/0000-0003-3109-660X;8;0;0;0;8;1098-0121;WOS:000311694200003;;;J;Fortmann, C.;Niemann, C.;Glenzer, S. H.;Theory of x-ray scattering in high-pressure electrides;PHYSICAL REVIEW B;86;17;174116;10.1103/PhysRevB.86.174116;NOV 29 2012;2012;We report on a theoretical model for the calculation of x-ray scattering;from high-pressure electrides. By treating interstitial electrons as;effective anions forming a sublattice within the crystal, we explicitly;account for Bragg reflections from the sublattice as well as for;scattering interferences between the ion lattice and the anion;sublattice. The additional reflections and interferences lead to;significant modifications of the static structure factor as compared to;the pure lattices. Our results are important for accurate calculations;of material properties in the high-pressure phase and allow for direct;experimental verification of electride phases in matter at ultrahigh;pressures through angle-resolved x-ray scattering.;2;0;0;0;2;1098-0121;WOS:000311693600001;;;J;Guclu, Caner;Campione, Salvatore;Capolino, Filippo;Hyperbolic metamaterial as super absorber for scattered fields generated;at its surface;PHYSICAL REVIEW B;86;20;205130;10.1103/PhysRevB.86.205130;NOV 29 2012;2012;We show that hyperbolic metamaterials (HMs) that exhibit hyperbolic;wave-vector dispersion diagrams possess two important features related;to super absorption: The total power scattered by a nanosphere is (i);greatly enhanced when placed at the HM surface, compared to other;material surfaces, and (ii) almost totally directed into the HM. We show;that these two features are peculiar of HM interfaces, and we support;them using a spectral theory study of transverse-electric and magnetic;waves scattered by a subwavelength nanosphere. We analyze the;nanosphere's scattered power absorbed by various substrate;configurations. We also consider various nanosphere materials.;22;0;0;0;22;1098-0121;WOS:000311694300002;;;J;Hebbache, M.;Entanglement of electron spins and geometric phases in the diamond color;center coupled to the P1 center;PHYSICAL REVIEW B;86;19;195316;10.1103/PhysRevB.86.195316;NOV 29 2012;2012;Impurity spins in semiconductors are potential quantum bits.;Entanglement and topological phases are key resources in quantum;computation. We prove that the coupled electron spins carried by a;diamond nitrogen-vacancy color center (NV-) and a single substitutional;nitrogen impurity (P1 center) are entangled in the immediate vicinity of;the level anticrossing that appears in the Zeeman energy diagram at;about 500 G. We also determine the Aharonov-Anandan, Berry, and marginal;geometric phases that can be accumulated by the state vectors of this;spin system when it is magnetically transported around a closed path. At;the resonance where the gap between two energy levels is minimum, the;geometric phases undergo discontinuities, and the entanglement of the;two electron spins is maximal.;2;0;0;0;2;1098-0121;WOS:000311694200004;;;J;Kerdsongpanya, Sit;Alling, Bjorn;Eklund, Per;Effect of point defects on the electronic density of states of ScN;studied by first-principles calculations and implications for;thermoelectric properties;PHYSICAL REVIEW B;86;19;195140;10.1103/PhysRevB.86.195140;NOV 29 2012;2012;We have investigated the effect of defects and impurities on the;electronic density of states of scandium nitride using first-principles;calculations with the generalized gradient approximation and hybrid;functionals for the exchange correlation energy. Our results show that;Sc and N vacancies can introduce asymmetric peaks in the density of;states close to the Fermi level. We also find that the N vacancy states;are sensitive to total electron concentration of the system due to their;possibility for spin polarization. Substitutional point defects shift;the Fermi level in the electronic band according to their valence but do;not introduce sharp features. The energetics and electronic structure of;defect pairs are also studied. By using hybrid functional calculations,;a correct description of the band gap of scandium nitride is obtained.;Our results envisage ways for improving the thermoelectric figure of;merit of ScN by electronic structure engineering through stoichiometry;tuning and doping.;Eklund, Per/B-7677-2011; Alling, Bjorn/I-3193-2012;Eklund, Per/0000-0003-1785-0864; Alling, Bjorn/0000-0001-5863-5605;8;0;0;0;8;1098-0121;WOS:000311694200001;;;J;Kim, Jiseok;Fischetti, Massimo V.;Aboud, Shela;Structural, electronic, and transport properties of silicane nanoribbons;PHYSICAL REVIEW B;86;20;205323;10.1103/PhysRevB.86.205323;NOV 29 2012;2012;Silicane ribbons do not suffer from aromatic dependence of the band gap;making them a more promising candidate for near-term nanoelectronic;application compared to armchair graphene nanoribbons. The structural,;electronic, and transport properties of free-standing sp(3)-hybridized;armchair- and zigzag-edge silicane nanoribbons have been investigated;using ab initio and nonlocal empirical pseudopotential calculations.;Under ambient conditions, two-dimensional silicane sheets will;spontaneously break into stable one-dimensional ribbons similar to;density functional theory studies of graphene ribbons. The calculated;low-field electron mobility and ballistic conductance show a strong edge;dependence, due to differences in the effective mass and momentum;relaxation rates along the two transport directions. The mobility in;zigzag-edge ribbons is found to be approximately twenty times higher;than in armchair-edge ribbons.;7;0;0;0;7;1098-0121;WOS:000311694300004;;;J;Kim, Kyou-Hyun;Payne, David A.;Zuo, Jian-Min;
7:1:5:69 In-situ observation of nanomechanical behavior arising from critical-temperature-induced phase transformation in Ba(Zr0.2Ti0.8)O-3-0.5(Ba0.7Ca0.3)TiO3 thin film
DOI:10.1063/1.4818121 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Wang, Z. M.;Cai, Zh. L.;Zhao, K.;Guo, X. L.;Chen, J.;Sun, W.;Cheng, Zh. X.;Kimura, H.;Li, B. W.;Yuan, G. L.;Yin, J.;Liu, Zh. G.;
7:1:5:70 Accurate characterization of thin films on rough surfaces by spectroscopic ellipsometry
DOI:10.1016/j.tsf.2013.07.067 JN:THIN SOLID FILMS PY:2013 TC:2 AU: Siah, S. C.;Hoex, B.;Aberle, G.;
7:1:6:1 Piezoelectric and Dielectric Properties of (Ba1-xCax)(Ti0.95Zr0.05)O-3 Lead-Free Ceramics
DOI:10.1111/j.1551-2916.2010.03907.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:72 AU: Li, Wei;Xu, Zhijun;Chu, Ruiqing;Fu, Peng;Zang, Guozhong;
7:1:6:2 Correlation Between the Microstructure and Electrical Properties in High-Performance (Ba0.85Ca0.15)(Zr0.1Ti0.9)O-3 Lead-Free Piezoelectric Ceramics
DOI:10.1111/j.1551-2916.2012.05146.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:66 AU: Hao, Jigong;Bai, Wangfeng;Li, Wei;Zhai, Jiwei;
7:1:6:3 Enhanced piezoelectric properties of (Ba0.85Ca0.15)(Ti0.9Zr0.1)O-3 lead-free ceramics by optimizing calcination and sintering temperature
DOI:10.1016/j.jeurceramsoc.2011.04.023 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2011 TC:82 AU: Wang, Pan;Li, Yongxiang;Lu, Yiqing;
7:1:6:4 Role of room-temperature phase transition in the electrical properties of (Ba, Ca)(Ti, Zr)O-3 ceramics
DOI:10.1016/j.scriptamat.2011.07.028 JN:SCRIPTA MATERIALIA PY:2011 TC:62 AU: Wu, Jiagang;Xiao, Dingquan;Wu, Wenjun;Chen, Qiang;Zhu, Jianguo;Yang, Zhengchun;Wang, John;
7:1:6:5 Large piezoelectric effect in Pb-free Ba(Ti,Sn)O-3-x(Ba,Ca)TiO3 ceramics
DOI:10.1063/1.3640214 JN:APPLIED PHYSICS LETTERS PY:2011 TC:46 AU: Xue, Dezhen;Zhou, Yumei;Bao, Huixin;Gao, Jinghui;Zhou, Chao;Ren, Xiaobing;
7:1:6:6 High piezoelectric d(33) coefficient in (Ba1-xCax)(Ti0.98Zr0.02)O-3 lead-free ceramics with relative high Curie temperature
DOI:10.1016/j.matlet.2010.07.042 JN:MATERIALS LETTERS PY:2010 TC:55 AU: Li, Wei;Xu, Zhijun;Chu, Ruiqing;Fu, Peng;Zang, Guozhong;
7:1:6:7 Enhancement of the temperature stabilities in yttrium doped (Ba0.99Ca0.01)(Ti0.98Zr0.02)O-3 ceramics
DOI:10.1016/j.jallcom.2012.03.110 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:22 AU: Li, Wei;Hao, Jigong;Bai, Wangfeng;Xu, Zhijun;Chu, Ruiqing;Zhai, Jiwei;
7:1:6:8 Phase-transition behavior and piezoelectric properties of lead-free (Ba0.95Ca0.05)(Ti1-xZrx)O-3 ceramics
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7:1:6:75 Effects of B-Site Doping on Piezoelectric and Ferroelectric Properties of Pb0.88Sr0.12(Zr0.54Ti0.44Sb0.02)((1-y))-(Zn1/3Nb2/3)(y)O-3 Ceramics
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7:1:6:78 Preparation, characterization and properties of novel 0-3 ferroelectric composites of Ba0.95Ca0.05Ti0.8Zr0.2O3-poly(vinylidene fluoride-trifluoroethylene)
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7:1:7:1 Ferroelectric and piezoelectric properties of lead-free BaTiO3 doped Bi0.5Na0.5TiO3 thin films from metal-organic solution deposition
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7:1:7:2 Enhanced ferroelectric and piezoelectric properties in doped lead-free (Bi0.5Na0.5)(0.94)Ba0.06TiO3 thin films
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7:1:7:3 Ferroelectric and piezoelectric properties of lead-free Bi0.5Na0.5 TiO3-Bi0.5K0.5TiO3-BaTiO3-thin films near the morphotropic phase boundary
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7:1:7:4 Dielectric and piezoelectric properties of lead-free (Bi,Na)TiO3-based thin films
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7:1:7:7 Reduced leakage current, enhanced ferroelectric and dielectric properties in (Ce,Fe)-codoped Na0.5Bi0.5TiO3 film
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7:1:7:8 Reduced leakage current and enhanced ferroelectric properties in Mn-doped Bi0.5Na0.5TiO3-based thin films
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7:1:7:9 Enhanced ferroelectric and piezoelectric response in Mn-doped Bi0.5Na0.5TiO3-BaTiO3 lead-free film by pulsed laser deposition
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7:1:7:10 Effects of annealing temperature on the microstructure, electrical properties of Fe-doped Na0.5Bi0.5TiO3 thin films
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7:1:7:11 Effect of Rb doping on ferroelectric and piezoelectric properties of Bi0.5Na0.5TiO3-BaTiO3 thin films
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7:1:7:13 Characterization of sol-gel synthesised lead-free (1-x)Na0.5Bi0.5TiO3-xBaTiO(3)-based ceramics
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7:1:7:14 Enhanced ferroelectric and dielectric properties in (La0.7Ca0.3)MnO3-buffered (Bi0.5Na0.5)TiO3-based lead-free thin film by pulsed laser deposition
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7:1:7:15 Electrical behaviors of c-axis textured 0.975Bi(0.5)Na(0.5)TiO(3)-0.025BiCoO(3) thin films grown by pulsed laser deposition
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7:1:7:16 Crystallographic Orientation Dependence on Electrical Properties of (Bi, Na) TiO3-based Thin Films
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7:1:7:17 Electrical properties of (110) epitaxial lead-free ferroelectric Na0.5Bi0.5TiO3 thin films grown by pulsed laser deposition: Macroscopic and nanoscale data
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7:1:7:18 Lead-free ferroelectric BaTiO3 doped-(Na0.5Bi0.5)TiO3 thin films processed by pulsed laser deposition technique
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7:1:7:19 Piezoelectric BNT-BT0.11 thin films processed by sol-gel technique
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7:1:7:20 Dielectric tunability of highly (l00)-oriented Fe-doped Na0.5Bi0.5TiO3 thin film
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7:1:7:21 Synthesis of (Bi0.5Na0.5)TiO3 (BNT) and Pr doped BNT using the soft combustion technique and its properties
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7:1:7:22 Temperature-dependent leakage current behavior of epitaxial Bi0.5Na0.5TiO3-based thin films made by pulsed laser deposition
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7:1:7:23 Dielectric and impedance spectroscopy characterizations of CuO added (Na0.5Bi0.5)(0.94)Ba0.06TiO3 lead-free piezoelectric ceramics
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7:1:7:24 Growth and electric properties of (100)-oriented Mn-doped (Bi0.5Na0.5)TiO3-BaTiO3 thin film by pulsed laser deposition
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7:1:7:25 Dielectric and ferroelectric properties of A-site non-stoichiometric Na0.5Bi0.5TiO3-based thin films
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7:1:7:26 Effect of Mn Doping on Microstructure and Electrical Properties of the (Na0.85K0.15)(0.5)Bi0.5TiO3 Thin Films Prepared by Sol-Gel Method
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7:1:7:27 Sol-Gel Synthesis and Characterization of Na0.5Bi0.5TiO3NaTaO3 Thin Films
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7:1:7:28 Structural and electrical properties of Bi0.5Na0.5 TiO3 based superlattices grown by pulsed laser deposition
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7:1:7:29 Preparation of perovskite Fe-doped Na0.5Bi0.5TiO3 thin film from polyethylene glycol-modified solution precursor on LaNiO3/Si substrate
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7:1:7:30 Evidence of morphotropic phase boundary displacement in lead-free (Bi0.5Na0.5)(1-x)BaxTiO3 polycrystalline thin films
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7:1:7:31 Ferroelectric, ferromagnetic, and dielectric behaviors of (Na0.5Bi0.5)(0.98)Ce-0.02(Ti0.99Fe0.01)O-3-BiFe0.95Mn0.05O3 solid-solution thin film
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7:1:7:32 Preparation and characterization of sol-gel derived sodium-potassium bismuth titanate powders and thick films deposited by screen printing
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7:1:7:33 Structural, optical, and electric properties of BNT-BT0.08 thin films processed by sol-gel technique
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7:1:7:34 A diffuse phase transition study on Ba2+ substituted (Na0.5Bi0.5)TiO3 ferroelectric ceramic
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7:1:7:35 Nanotubes of piezoelectric BNT-BT0.08 obtained from sol-gel precursor
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7:1:7:36 0.90(Na0.5Bi0.5TiO3)-0.06BaTiO(3)-0.04K(0.5)Na(0.5)NbO(3) Ferroelectric Thin Films Derived from Chemical Solutions
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7:1:7:38 Phase diagram and electric properties of the (Mn, K)-modified Bi0.5Na0.5TiO3-BaTiO3 lead-free ceramics
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7:1:7:39 Domain evolution in lead-free thin film piezoelectric ceramics
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7:1:7:40 Non-lead Ce: Na0.5Bi0.5TiO3-BiFeO3 solid solution thin film with significantly reduced leakage current and large polarization
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7:1:7:45 BiFeO3 doped-BNT-BT0.08 piezoelectric and magnetic nanowires, derived from sol-gel precursor
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7:1:7:46 Preparation and ferroelectric properties of (Na0.5Bi0.5)(0.94)Ba0.06TiO3 thin films deposited on Pt electrodes using LaNiO3 as buffer layer
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7:1:7:49 Influence of annealing on the structure and ferroelectric properties of Sr0.13Na0.37Bi0.50TiO3 thin films prepared by metalorganic solution deposition
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7:1:7:50 Lead-free ferroelectric thin films obtained by pulsed laser deposition
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7:1:7:52 Preparation and characterization of Ca0.18Na0.32Bi0.50TiO3 ferroelectric thin films by metalorganic solution deposition
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7:1:7:61 Phase Formation and Dielectric Properties of Ge Doped (Bi0.5Na0.5)TiO3 Ceramics
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7:1:7:62 Impedance spectroscopy studies of 0.7Bi(Fe1-xGax)O-3-0.3PbTiO(3) high temperature piezoelectric ceramics
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7:1:7:63 Modeling the electrode geometry of co-planar capacitors for the microwave dielectric characterization of ceramic thin films
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7:1:8:1 Metal-ion doped luminescent thin films for optoelectronic applications
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7:1:8:2 Bright Upconversion Emission, Increased Tc, Enhanced Ferroelectric and Piezoelectric Properties in Er-Doped CaBi4Ti4O15 Multifunctional Ferroelectric Oxides
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7:1:8:3 Upconversion luminescence, ferroelectrics and piezoelectrics of Er Doped SrBi4Ti4O15
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7:1:9:19 Enhanced polarization switching and energy storage properties of Pb0.97La0.02(Zr0.95Ti0.05)O-3 antiferroelectric thin films with LaNiO3 oxide top electrodes
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7:1:9:20 W-doping induced antiferroelectric to ferroelectric phase transition in PbZrO3 thin films prepared by chemical solution deposition
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7:1:9:21 Enhancement of charge and energy storage in PbZrO3 thin films by local field engineering
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7:1:9:25 c/a Ratio-Dependent Energy-Storage Density in (0.9-x)Bi0.5Na0.5TiO3-xBaTiO3-0.1K0.5Na0.5NbO3 Ceramics
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7:1:9:26 Enhanced antiferroelectric stability and electric-field-induced strain properties in rare earth-modified Pb(Zr0.63Sn0.26Ti0.11) O-3 ceramics
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7:1:9:28 Effects of PbO Content on the Dielectric Properties and Energy Storage Performance of (Pb0.97La0.02)(Zr0.97Ti0.03)O-3 Antiferroelectric Thin Films
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7:1:9:29 Effects of PbO insert layer on the microstructure and energy storage performance of (042)-preferred PLZT antiferroelectric thick films
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7:1:9:30 Structure and electrical properties of PbZrO3 antiferroelectric thin films doped with barium and strontium
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7:1:9:31 Ferroelastic Strain Induced Antiferroelectric-Ferroelectric Phase Transformation in Multilayer Thin Film Structures
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7:1:9:32 Y doping and grain size co-effects on the electrical energy storage performance of (Pb0.87Ba0.1La0.02) (Zr0.65Sn0.3Ti0.05)O-3 anti-ferroelectric ceramics
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7:1:9:33 Dynamic Hysteresis and Scaling Behavior of Energy Density in Pb0.99Nb0.02[(Zr0.60Sn0.40)(0.95)Ti-0.05]O-3 Antiferroelectric Bulk Ceramics
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7:1:9:36 Phase transition and electric field induced strain properties in Sm modified lead zirconate stannate titanate based antiferroelectric ceramics
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7:1:9:37 High energy density capacitors based on 0.88BaTiO(3)-0.12Bi(Mg-0.5, Ti-0.5)O-3/PbZrO3 multilayered thin films
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7:1:9:38 Structure and improved electrical properties of Pr-doped PbZrO3 antiferroelectric thin films with (111) preferential orientation
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7:1:9:40 Increasing recoverable energy storage in electroceramic capacitors using "dead-layer" engineering
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7:1:9:41 Large enhancement of energy-storage properties of compositional graded (Pb1-xLax)(Zr0.65Ti0.35)O-3 relaxor ferroelectric thick films
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7:1:9:42 High-Energy-Storage Density Capacitors of Bi(Ni1/2Ti1/2)O-3-PbTiO3 Thin Films with Good Temperature Stability
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7:1:9:45 Effect of Sn:Ti variations on electric filed induced AFE-FE phase transition in PLZST antiferroelectric ceramics
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7:1:9:50 High capacitance density by CaCu3Ti4O12 thin films
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7:1:9:53 Synchrotron Radiation Analyses of Domain Switching and Lattice Strain Behaviors for Ferroelectric (Bi0.5Na0.5)TiO3 Single Crystals under Electric Fields
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7:1:9:62 Effects of lanthanum modification on electrical and dielectric properties of Pb(Zr-0.70,Ti-0.30)O-3 ceramics
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7:1:9:63 Preparation of PLZST antiferroelectric ceramics by hydroxide coprecipitation method
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7:1:10:1 Lead-free high-temperature dielectrics with wide operational range
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7:1:10:2 Structure, Dielectric Properties and Temperature Stability of BaTiO3-Bi(Mg1/2Ti1/2)O-3 Perovskite Solid Solutions
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7:1:10:3 A High-Temperature-Capacitor Dielectric Based on K0.5Na0.5NbO3-Modified Bi1/2Na1/2TiO3-Bi1/2K1/2TiO3
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7:1:10:4 BaTiO3-Bi(Zn1/2Ti1/2)O-3-BiScO3 Ceramics for High-Temperature Capacitor Applications
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7:1:10:5 High-temperature dielectrics in CaZrO3-modified Bi1/2Na1/2TiO3-based lead-free ceramics
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7:1:10:7 Stability of High-Temperature Dielectric Properties for (1-x)Ba0.8Ca0.2TiO3-xBi(Mg0.5Ti0.5)O3 Ceramics
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7:1:10:8 Low variation in relative permittivity over the temperature range 25-450 degrees C for ceramics in the system (1-x)[Ba0.8Ca0.2TiO3]-x[Bi(Zn0.5Ti0.5)O-3]
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7:1:10:9 Piezoelectric properties of high Curie temperature barium titanate-bismuth perovskite-type oxide system ceramics
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7:1:10:11 Temperature-stable dielectric properties from 20 degrees C to 430 degrees C in the system BaTiO3 Bi(Mg0.5Zr0.5)O-3
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7:1:10:12 Dielectric Properties of Ba0.8Ca0.2TiO3-Bi(Mg-0.5, Ti-0.5)O-3-NaNbO3 Ceramics
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7:1:10:13 Temperature-Stable Relative Permittivity from-70 degrees C to 500 degrees C in (Ba0.8Ca0.2) TiO3-Bi(Mg0.5Ti0.5)O-3-NaNbO3 Ceramics
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7:1:10:14 Diffuse dielectric behaviour in Na0.5K0.5NbO3-LiTaO3-BiScO3 lead-free ceramics
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7:1:10:22 Evidence for diffuse ferroelectric phase transition and cooperative tricritical freezing of random-site dipoles due to off-centered Bi3+ ions in the average cubic lattice of (Ba1-xBix)(Ti1-xFex)O-3
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7:1:10:25 Structural investigation of a novel perovskite-based lead-free ceramics: xBiScO(3)-(1-x)BaTiO3
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7:1:10:27 Dielectric Relaxation in BaTiO3-Bi(Zn1/2Ti1/2)O3 Ceramics
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7:1:10:28 Enhanced dielectric relaxor properties in (1-x)(K0.5Na0.5)NbO3-x (Ba0.6Sr0.4)(0.7)Bi0.2TiO3 lead-free ceramic
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7:1:10:29 MnO2-modified 0.98(K0.5Na0.5)NbO3-0.02LaFeO(3) ceramics with low dielectric loss for high temperature ceramics capacitors applications
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7:1:10:30 Reentrant dipole glass properties in (1-x)BaTiO3 - xBiScO(3), 0.1 <= x <= 0.4
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7:1:10:31 Defect mechanisms in high resistivity BaTiO3-Bi(Zn1/2T1/2)O-3 ceramics
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7:1:10:32 Structural and Dielectric Properties in (1-x)BaTiO3-xBi(Mg(1/2)Tia(1/2))O-3 Ceramics (0.1 <= x <= 0.5) and Potential for High-Voltage Multilayer Capacitors
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7:1:10:33 Bi(Zn2/3Nb1/3)O-3-(K0.5Na0.5)NbO3 High-Temperature Lead-Free Ferroelectric Ceramics with Low Capacitance Variation in a Broad Temperature Usage Range
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7:1:10:34 Visualization of Bi3+ off-centering in the average cubic structure of (Ba0.70Bi0.30)(Ti0.70Fe0.30)O-3 at the electron density level
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7:1:10:35 Dipolar-glass-like relaxor ferroelectric behaviour in the 0.5BaTiO(3)-0.5Bi(Mg1/2Ti1/2)O-3 electroceramic
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7:1:10:36 Growth of (111)-oriented BaTiO3-Bi(Mg0.5Ti0.5)O-3 epitaxial films and their crystal structure and electrical property characterizations
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7:1:10:37 Dielectric properties and relaxor behavior of high Curie temperature (Ba0.85Ca0.15)(Zr0.1Ti0.9)O-3-Bi(Mg0.5Ti0.5)O-3 Lead-free ceramics
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7:1:10:38 High Temperature Capacitors using a BiScO3-BaTiO3-(K1/2Bi1/2)TiO3 Ternary System
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7:1:10:39 High-Temperature Capacitor Based on Ca-Doped Bi05Na0.5TiO3-BaTiO3 Ceramics
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7:1:10:40 Thermally Stable BaTiO3-Bi(Mg0.75W0.25)O-3 Solid Solutions: Sintering Characteristics, Phase Evolution, Raman Spectra, and Dielectric Properties
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7:1:10:41 Dielectric and polar order behaviors of BaTiO3-Bi(Mg1/2Ti1/2)O-3 ceramics
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7:1:10:42 New Lead-Free Relaxor Ferroelectrics Derived from (K0.5Na0.5)NbO3 for High Temperature Applications
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7:1:10:43 Diffuse Dielectric Behavior of (Bi0.5Na0.5)Zr1-xTixO3 Lead-Free Ceramics
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7:1:10:44 Compositionally driven ferroelectric phase transition in xBiInO(3)-(1-x)BaTiO3: a lead-free perovskite-based piezoelectric material
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7:1:10:45 Dielectric Properties and Impedance Analysis of K0.5Na0.5NbO3-Ba2NaNb5O15 Ceramics with Good Dielectric Temperature Stability
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7:1:10:46 Li-7 NMR Investigation of Li-Li Pair Ordering in the Paraelectric Phase of Weakly Substitutionally Disordered K1-xLixTaO3
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7:1:10:47 Effects of Bi(Zn0.5Zr0.5)O-3 addition on the structure and electric properties of BaTiO3 lead-free piezoelectric ceramics
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7:1:10:48 Enhancement in the piezoelectric properties of BaTiO3-Bi(Mg1/2Ti1/2)O-3-BiFeO3 system ceramics by nanodomain
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7:1:10:49 Defect mechanisms in high resistivity BaTiO3-Bi(Zn1/2Ti1/2)O-3 ceramics (vol 101, 112904, 2012)
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7:1:10:50 Relaxor behaviour of K0.5Bi0.5TiO3-BiScO3 ceramics (vol 100, 202904, 2012)
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7:1:10:51 Dielectric Behavior of (1-x) Bi(Zn1/2Ti1/2)O-3 - xBa(Fe1/2Nb1/2)O-3 Solid Solution Ceramics
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7:1:10:52 Phase Structure and Electric Properties of BiMeO3 Modified (K0.5Na0.5) NbO3 Lead-Free Ceramics
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7:1:11:1 Microstructure, dielectric and ferroelectric properties of (1-x)(0.94Bi(0.5)Na(0.5)TiO(3)-0.06BaTiO(3))-xBiFeO(3) lead-free ceramics synthesized via a high energy ball milling method
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7:1:11:2 Sol-gel synthesis and characterization of BaTiO3-doped (Bi0.5Na0.5)TiO3 piezoelectric ceramics
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7:1:11:3 Phase transition and piezoelectric properties of lead-free (Bi1/2Na1/2)TiO3-BaTiO3 ceramics
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7:1:11:4 Microstructure, dielectric and ferroelectric properties of (NaxBi0.5)(0.94)Ba0.06TiO3 lead-free ferroelectric ceramics: Effect of Na nonstoichiometry
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7:1:11:5 Microstructure, dielectric and ferroelectric properties of 0.94Bi(0.5)Na(0.5)TiO(3)-0.06BaTiO(3) (NBTB) and 0.05BiFeO(3)-0.95NBTB ceramics: Effect of sintering atmosphere
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7:1:11:6 Effect of potassium concentration on the structure and electrical properties of lead-free Bi-0.5 (Na,K)(0.5) TiO3-BiAlO3 piezoelectric ceramics
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7:1:11:7 Structure, dielectric and ferroelectric properties of 0.92Na(0.5)Bi(0.5)TiO(3)-0.06BaTiO(3)-0.02K(0.5)Na(0.5)NbO(3) lead-free ceramics: Effect of Co2O3 additive
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7:1:11:8 Piezoelectric and dielectric properties of Dy2O3-doped (Bi0.5Na0.5)(0.94)Ba0.06TiO3 lead-free ceramics
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7:1:11:9 Microstructure and electrical properties of (1-x)[0.82Bi(0.5)Na(0.5)TiO(3)-0.18Bi(0.5)K(0.5)TiO(3)]-xBiFeO(3) lead-free piezoelectric ceramics
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7:1:11:10 Effect of Dy2O3 on the structure and electrical properties of (Bi0.5Na0.5)(0.94)Ba0.06TiO3 lead-free piezoelectric ceramics
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7:1:11:11 Relaxor behavior of (Ba, Bi)(Ti, Al)O-3 ferroelectric ceramic
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7:1:11:12 Piezoelectric and dielectric properties of Sm2O3-doped 0.82Bi(0.5)Na(0.5)TiO(3)-0.18Bi(0.5)K(0.5)TiO(3) ceramics
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7:1:11:13 Structure and electrical properties of (Bi0.5Na0.5)(0.94)Ba0.06TiO3-Bi-0.5(Na0.82K0.18)(0.5)TiO3-BiAlO3 lead free piezoelectric ceramics
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7:1:11:15 Piezoelectric, ferroelectric and dielectric properties of Nd2O3-doped (Bi0.5Na0.5)(0.94)Ba0.06TiO3 lead-free ceramics
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7:1:11:17 Effect of Eu doping on structure and electrical properties of lead-free (Bi0.5Na0.5)(0.94)Ba0.06TiO3 ceramics
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7:1:11:19 Effect of Ba0.91Ca0.09Ti0.916Sn0.084O3 on the microstructure and electrical properties of Bi-0.5(Na0.925Li0.075)(0.5)TiO3 ceramics
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7:1:11:20 High-temperature X-ray diffraction and Raman spectroscopy study of (K0.5Na0.5)NbO3 ceramics sintered in oxidizing and reducing atmospheres
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7:1:11:21 Effect of Nb-doping on dielectric, ferroelectric and conduction behaviour of lead free Bi-0.5(Na0.5K0.5)(0.5)TiO3 ceramic
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7:1:11:22 Thermal and dynamic mechanical analyses on Bi0.5Na0.5TiO3-BaTiO3 ceramics synthesized with citrate method
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7:1:11:23 Effect of intermediate phases on the formation of nanostructured lead-free (Bi0.5Na0.5)(0.94)Ba0.06TiO3 piezoceramics by mechanical alloying
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7:1:11:24 Phase structure and electric properties of Bi-0.5(Na0.825K0.175)(0.5)TiO3 ceramics prepared by a sol-gel method
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7:1:11:25 Effect of Bi2O3 doping methods on the positive temperature coefficient property of Ba-0.999(Bi0.5Na0.5)(0.001) TiO3 ceramics
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7:1:11:28 Morphotropic phase boundary in the BNT-BT-BKT system
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7:1:11:29 Phase structure and piezoelectric properties of NBT-KBT-BT ceramics prepared by sol-gel flame synthetic approach
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7:1:11:30 Dielectric spectroscopy of lead-free Bi-0.5(Na0.75K0.25)(0.5)TiO3-BiAlO3 ceramics
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7:1:11:32 Structure and electrical properties of (1-x) (Bi-0.5 (Na0.82K0.18)(0.5)) TiO3-x BiAlO3 lead-free piezoelectric ceramics
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7:1:11:33 Temperature dependent phase transition of (Bi0.5Na0.5)(1-x)BaxTiO3 lead-free piezoelectric
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7:1:11:35 Structural and electrical properties of NBT-BT0.08 ceramic prepared by the pyrosol method
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7:1:11:36 Microstructural Investigations and Electric Field-induced Strain of (1-x)(Bi0.5Na0.5)TiO3-xBaTiO(3) Lead-Free Ferroelectric Ceramics
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7:1:11:37 Phase Transition and Electrical Properties of BiAlO3-Modified (Bi0.5Na0.5)TiO3 Piezoelectric Ceramics
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7:1:11:38 Microstructure and electrical properties of PLZT ceramics from Pb3O4 as the lead source
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7:1:11:39 Electrical and Piezoelectric Studies of (Na1-xKx)(1/2)Bi1/2TiO3
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7:1:13:18 Effects of Sb-doping on the formation of (K, Na)(Nb, Sb)O-3 solid solution under hydrothermal conditions
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7:1:13:19 Effects of the co-addition of LiSbO3-LiTaO3 on the densification of (Na1/2K1/2)NbO3 lead free ceramics by atmosphere sintering
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7:1:13:20 Low temperature sintering of ZnO and MnO2-added (Na0.5K0.5)NbO3 ceramics
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7:1:13:21 Effects of MnO doping on properties of 0.97K(0.5)Na(0.5)NbO(3)-0.03(Bi0.5K0.5)TiO3 piezoelectric ceramics
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7:1:13:22 Crystal structures and electrical properties of (1-x)K0.5Na0.5NbO3-xBi(0.8)La(0.2)FeO(3) lead-free ceramics
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7:1:13:24 Structure and electrical properties of MnO2-doped Sr2-xCaxNaNb5O15 lead-free piezoelectric ceramics
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7:1:13:25 An enhanced mechanical quality factor and a low dielectric loss in lithium sodium niobate lead-free ceramics
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7:1:13:26 Doping effects of Li-Sb content on the structure and electrical properties of [(Na0.5K0.5)(1) (-) (x)(Li)(x)(Sb)(x)(Nb)(1) (-) O-x(3)] lead-free piezoelectric ceramics
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7:1:13:27 Phase transition and electrical properties of (1-x)K0.02Na0.98NbO3-xBaTiO(3) ceramics
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7:1:13:28 Effects of Sb content on electrical properties of lead-free piezoelectric (K0.4425Na0.52Li0.0375) (Nb0.9625-xSbxTa0.0375)O-3 ceramics
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7:1:13:29 Structural and electrical characterization of (K0.48Na0.52)(0.96)Li0.04Nb0.85Ta0.15O3 synthesized by spray drying
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7:1:13:31 Electrical Properties and Impedance Spectroscopy of Lithium Modified Potassium Sodium Niobate Ceramics
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7:1:13:32 Effect of various sintering aids on the piezoelectric and dielectric properties of 0.98(Na0.5K0.5)NbO3-0.02Li(0.04)(Sb0.06Ta0.1)O-3 ceramics
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7:1:13:33 Effects of K/Na ratio on the phase structure and electrical properties of 0.98(KxNa1-x)NbO3-0.02BiScO(3) lead-free ceramics
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7:1:13:34 Ferroelectrics, Piezoelectric, and Impedance Spectroscopy Characterizations of CuO Doped (Na-0.52 K-0.44)(Nb-0.9 Sb-0.06)O-3 -0.04LiTaO(3) Lead Free Ceramics
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7:1:13:35 Effects of Dopants on Phase Formation and Microstructure of Bismuth Sodium Titanate-Potassium Sodium Niobate Ceramics
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7:1:13:36 X-Ray Absorption Spectroscopy Analysis of the Effect of MnO2 Doping on Local Structure of ((K0.5Na0.5)(0.935)Li-0.065)NbO3 Ceramics
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7:1:13:37 Structural and piezoelectric properties of barium-modified lead-free (K0.455Li0.045Na0.5)(Nb0.9Ta0.1)O-3 ceramics
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7:1:13:39 Calcination Effects on the Piezoelectric Properties for Ag2O Doped 0.94(K0.5Na0.5)NbO3-0.06LiNbO(3) Lead-Free Piezoelectric Ceramics
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7:1:13:40 Effect of Na Excess on Dielectric and Piezoelectric Properties of (Li0.04Na0.544+xK0.46)(0.96)(Nb0.81Ta0.15Sb0.04)O-3 Ceramics
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7:1:14:1 Piezoelectric Materials for High Temperature Sensors
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7:1:14:2 Dielectric and piezoelectric properties of Sb5+ doped (NaBi)(0.38)(LiCe)(0.05)[](0.14)Bi2Nb2O9 ceramics
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7:1:14:3 Structure and electrical properties of new Aurivillius oxides (K0.16Na0.84)(0.5)Bi4.5Ti4O15 with manganese modification
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7:1:14:4 Synthesis and dielectric properties of textured SrBi2Nb2O9 ceramics via laser rapid solidification
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7:1:14:5 Structure and electrical properties of SrBi2Nb2O9-based ferroelectric ceramics with lithium and cerium modification
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7:1:14:6 Effect of cerium additives on structure and electrical properties of Aurivillius oxides (K0.16Na0.84)(0.5)Bi4.5Ti4O15
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7:1:14:7 Crystallographic Evolution, Dielectric, and Piezoelectric Properties of Bi4Ti3O12:W/Cr Ceramics
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7:1:14:8 The grain size-dependent electrical properties of Bi4Ti3O12 piezoelectric ceramics
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7:1:14:9 Dielectric properties and impedance analysis in Aurivillius-type (Na0.25K0.25Bi0.5)(1-x)(LiCe)(x/2)[](x/2)Bi4Ti4O15 ceramics
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7:1:14:10 Structure and electrical properties of bismuth and sodium modified SrBi2Nb2O9 ferroelectric ceramics
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7:1:14:11 Effect of Sb Substitution on the Structural and Electrical Properties of Bi4Ti3-2xNbxTaxO12 Ceramics
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7:1:14:12 Correlation between lattice distortion and electrical properties on Bi4Ti3O12 ceramics with W/Ni modifications
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7:1:14:13 Microstructure and electrical properties of Mn-modified bismuth-layer Na0.25K0.25Bi2.5Nb2O9 Ceramics
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7:1:14:15 Ferroelectric phase transitions in new Aurivillius oxides: Bi2+2xSr1-2xNb2-xScxO9
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7:1:14:17 Structural distortion and dielectric properties of Sr1-x(Na0.5Bi0.5)(x)Bi2Nb2O9 (x=0.0, 0.2, 0.5, 0.8 and 1.0)
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7:1:14:18 Piezoelectric accelerometers for ultrahigh temperature application
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7:1:14:27 High temperature ReCOB piezocrystals: Recent developments
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7:1:14:31 Piezoelectric properties and thermal stabilities of cobalt-modified potassium bismuth titanate
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7:1:14:34 YCa4O(BO3)(3) (YCOB) high temperature vibration sensor
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7:1:14:36 Crystal structure and enhanced electromechanical properties of Aurivillius ferroelectric ceramics, Bi4Ti3-x(Mg1/3Nb2/3)(x)O-12
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7:1:14:39 Investigation on microstructure, dielectric and impedance properties of Sr1-xBi2+(2/3)x(VxTa1-x)(2)O-9 [x=0, 0.1 and 0.2] ceramics
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7:1:14:40 Effects of K nonstoichiometry in bismuth layer-structured K0.5+xBi4.5Ti4O15 ceramics
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7:1:14:42 Electrical conductivity of SrBi2Ta2O9 ceramics
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7:1:14:43 Study of Effect of Doping on Grain and Grain Boundary Parameters of Sr1-2xNaxNdxBi4Ti4O15 (x=0-0.5) Ceramics Using Impedance Spectroscopy
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7:1:14:44 Structural, dielectric and ferroelectric properties of four-layer Aurivillius phase Na0.5La0.5Bi4Ti4O15
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7:1:14:45 Effects of Mn and Pr Co-doped on Microstructural and Electrical Properties of CaBi2Nb2O9 Piezoceramics
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7:1:14:46 Anisotropic properties and crystal structure of ferroelectric Na0.5Bi4.5Ti4O15
DOI:10.1016/j.jallcom.2010.07.022 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:3 AU: Li, Zhengfa;Chan, H. L. W.;Li, Yongxiang;Kwok, K. W.;Choy, S. H.;
7:1:14:47 Investigations on the thermal and piezoelectric properties of fresnoite Ba2TiSi2O8 single crystals
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7:1:14:48 Piezoelectric shear-mode properties of Pb(Yb1/2Nb1/2)O-3-PbTiO3 ceramics
DOI:10.1016/j.matlet.2010.01.069 JN:MATERIALS LETTERS PY:2010 TC:2 AU: Lim, Jong Bong;Zhang, Shujun;Shrout, Thomas R.;
7:1:14:49 A-site substitution effect of strontium on bismuth layered CaBi4Ti4O15 ceramics on electrical and piezoelectric properties
DOI:10.1016/j.matchemphys.2011.05.081 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:3 AU: Tanwar, Amit;Verma, Maya;Gupta, Vinay;Sreenivas, K.;
7:1:14:50 Effects of processing parameters on laser cutting of aluminium-copper alloys using off-axial supersonic nozzles
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7:1:14:51 The Effects of Na/K Ratio on the Electrical Properties of Sodium-Potassium Bismuth Titanate Na0.5Bi4.5Ti4O15-K0.5Bi4.5Ti4O15
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7:1:14:52 Domain structures in hot-press sintered SrBi2Ta1.6Nb0.4O9 and SrBi2Ta2O9 ferroelectric ceramics
DOI:10.1016/j.ceramint.2012.01.050 JN:CERAMICS INTERNATIONAL PY:2012 TC:0 AU: Wang, Wen;Rao, Jiancun;Ke, Hua;Meng, Xianghe;Jia, Dechang;Zhou, Yu;
7:1:14:53 Microstructures, dielectric, and piezoelectric properties of W/Cr co-doped Bi4Ti3O12 ceramics
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7:1:15:1 Finite-Temperature Properties of Ba(Zr, Ti)O-3 Relaxors from First Principles
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7:1:15:2 Properties of Epitaxial Films Made of Relaxor Ferroelectrics
DOI:10.1103/PhysRevLett.111.247602 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:4 AU: Prosandeev, S.;Wang, Dawei;Bellaiche, L.;
7:1:15:3 Synthesis, optical and ferroelectric properties of PZT thin films: experimental and theoretical investigation
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7:1:15:4 Field-Induced Percolation of Polar Nanoregions in Relaxor Ferroelectrics
DOI:10.1103/PhysRevLett.110.207601 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:9 AU: Prosandeev, S.;Wang, Dawei;Akbarzadeh, A. R.;Dkhil, B.;Bellaiche, L.;
7:1:15:5 Random local strain effects in homovalent-substituted relaxor ferroelectrics: A first-principles study of BaTi0.74Zr0.26O3
DOI:10.1103/PhysRevB.82.132102 JN:PHYSICAL REVIEW B PY:2010 TC:18 AU: Laulhe, C.;Pasturel, A.;Hippert, F.;Kreisel, J.;
7:1:15:6 Broadband dielectric response of Ba(Zr,Ti)O-3 ceramics: From incipient via relaxor and diffuse up to classical ferroelectric behavior
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7:1:15:7 Electric-field dependent freezing in relaxor ferroelectrics
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7:1:15:8 High-Resolution Calorimetric Study of Pb(Mg1/3Nb2/3)O-3 Single Crystal
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7:1:15:9 Ferroelectric-relaxor crossover in Ba(Ti1-xZrx)O-3 studied using neutron total scattering measurements and reverse Monte Carlo modeling
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7:1:15:10 Local structure of Ba(Ti,Zr)O-3 perovskite-like solid solutions and its relation to the band-gap behavior
DOI:10.1103/PhysRevB.83.094122 JN:PHYSICAL REVIEW B PY:2011 TC:16 AU: Levin, Igor;Cockayne, Eric;Krayzman, Victor;Woicik, Joseph C.;Lee, Soonil;Randall, Clive A.;
7:1:15:11 Pressure dependence of the phonon spectrum in BaTiO3 polytypes studied by ab initio calculations
DOI:10.1103/PhysRevB.88.014114 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Seo, Yu-Seong;Ahn, Jai Seok;
7:1:15:12 The atomic structure of lead-free Ba(Zr0.2Ti0.8)O-3-(Ba0.7Ca0.3)TiO3 by using neutron total scattering analysis
DOI:10.1063/1.4770297 JN:APPLIED PHYSICS LETTERS PY:2012 TC:10 AU: Jeong, I. -K.;Ahn, J. S.;
7:1:15:13 Magnetic control of relaxor features in BaZr0.5Ti0.5O3 and CoFe2O4 composite
DOI:10.1063/1.4795726 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Usman, Muhammad;Mumtaz, Arif;Raoof, Sobia;Hasanain, S. K.;
7:1:15:14 Crossover from ferroelectric to relaxor and cluster glass in BaTi1-xZrxO3 (x=0.25-0.35) studied by non-linear permittivity
DOI:10.1063/1.4811089 JN:APPLIED PHYSICS LETTERS PY:2013 TC:12 AU: Kleemann, W.;Miga, S.;Dec, J.;Zhai, J.;
7:1:15:15 High-temperature dielectric response of (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3): Does Burns temperature exist in ferroelectric relaxors?
DOI:10.1063/1.3388304 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:15 AU: Bobnar, V.;Filipic, C.;Levstik, A.;Kutnjak, Z.;
7:1:15:16 Evaluation of Experimental Resume of BaZrxTi1-xO3 with Perspective to Ferroelectric Relaxor Family: An Overview
DOI:10.1080/00150193.2011.644168 JN:FERROELECTRICS PY:2011 TC:19 AU: Maiti, Tanmoy;Guo, R.;Bhalla, A. S.;
7:1:15:17 Hybrid density functional theory LCAO calculations on phonons in Ba(Ti,Zr,Hf)O-3
DOI:10.1103/PhysRevB.83.014105 JN:PHYSICAL REVIEW B PY:2011 TC:19 AU: Evarestov, Robert A.;
7:1:15:18 Order parameter and scaling behavior in BaZrxTi1-xO3 (0.3 < x < 0.6) relaxor ferroelectrics
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7:1:15:19 Broadband Dielectric Spectroscopy of Ba(Zr,Ti)O-3: Dynamics of Relaxors and Diffuse Ferroelectrics
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7:1:15:20 Non-linear permittivity study of the crossover from ferroelectric to relaxor and cluster glass in BaTi1-xSnxO3 (x=0.175-0.30)
DOI:10.1063/1.4875595 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Kleemann, W.;Miga, S.;Xu, Z. K.;Lu, S. G.;Dec, J.;
7:1:15:21 Magnetic field dependence of piezoelectric resonance frequency in CoFe2O4-BaTiO3 composites
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7:1:15:22 Compressible spherical dipolar glass model of relaxor ferroelectrics
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7:1:15:23 BZT: A Soft Pseudospin Glass
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7:1:15:24 Dielectric properties of PMT-PT crystals
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7:1:15:25 Pb(Mg1/3Nb2/3)O-3: A minimal induced-moment soft pseudospin glass perspective
DOI:10.1103/PhysRevB.89.064105 JN:PHYSICAL REVIEW B PY:2014 TC:3 AU: Sherrington, David;
7:1:15:26 Response to "Comment on 'Order parameter and scaling behavior in BaZrxTi1-xO3 (0.3 < x < 0.6) relaxor ferroelectrics'" [Appl. Phys. Lett. 104, 156102 (2014)]
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7:1:15:27 Properties of epitaxial (110) BaTiO3 films from first principles
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7:1:15:28 Kinetics of nucleation of the ferroelectric transitions in PbMg1/3Nb2/3O3 and PbMg1/3Nb2/3O3-12%PbTiO3
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7:1:15:29 Comment on "Order parameter and scaling behavior in BaZrxTi1-xO3 (0.3 < x < 0.6) relaxor ferroelectrics" [Appl. Phys. Lett. 103, 262905 (2013)]
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7:1:15:30 Comment on "High-temperature dielectric response of (1-x)PbMg1/3Nb2/3O3-(x)PbTiO3: Does Burns temperature exist in ferroelectric relaxors?" [J. Appl. Phys. 107, 084104 (2010)]
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7:1:15:31 Magnetic Field Induced Dielectric and Ferroelectric Behaviors in Pb(Zr0.5Ti0.5)O-3/CoFe2O4 0-3 Thick Composite Films
DOI:10.1080/00150193.2010.492668 JN:FERROELECTRICS PY:2011 TC:2 AU: Bai, Wei;Meng, Xiangjian;Lin, Tie;Zhu, Xia;Tian, Li;Sun, Jinglan;Chu, Junhao;
7:1:15:32 Response to "Comment on 'High-temperature dielectric response of (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3): Does Burns temperature exist in ferroelectric relaxors?'" [J. Appl. Phys. 107, 084104 (2010)]
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7:1:15:33 Field-Induced Phase Transitions in Relaxor Ferroelectrics
DOI:10.1080/00150193.2010.505879 JN:FERROELECTRICS PY:2010 TC:1 AU: Schmidt, V. Hugo;Chien, R. R.;Tu, Chi-Shun;
7:1:15:34 Kinetics and thermodynamics of the ferroelectric transitions in PbMg1/3Nb2/3O3 and PbMg1/3Nb2/3O3-12% PbTiO3 crystals
DOI:10.1063/1.4804069 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Colla, Eugene V.;Jurik, Nathan;Liu, Yehan;Delgado, M. E. X.;Weissman, M. B.;Viehland, D. D.;Ye, Z. -G.;
7:1:15:35 "The atomic structure of lead-free Ba(Zr0.2Ti0.8)O-3-(Ba0.7Ca0.3)TiO3 by using neutron total scattering analysis" (vol 101, 242901, 2012)
DOI:10.1063/1.4802879 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Jeong, I. -K.;Ahn, J. S.;
7:1:15:36 Direct Observation of the Polar State in the Relaxor Ba(Ti1-xZrx)O-3 by Transmission Electron Microscopy
DOI:10.1080/00150193.2014.874888 JN:FERROELECTRICS PY:2014 TC:1 AU: Tsukasaki, H.;Inoue, Y.;Koyama, Y.;
7:1:15:37 Epitaxial Spinel Cobalt Ferrite Films Prepared by Two-Step Spin-Coating Method
DOI:10.1080/00150193.2013.843928 JN:FERROELECTRICS PY:2013 TC:0 AU: Meng, Siqin;Yue, Zhenxing;Li, Longtu;
7:1:16:1 Enhanced ferroelectric properties in Mn-doped K0.5Na0.5NbO3 thin films derived from chemical solution deposition
DOI:10.1063/1.3479530 JN:APPLIED PHYSICS LETTERS PY:2010 TC:25 AU: Wang, Lingyan;Ren, Wei;Shi, Peng;Chen, Xiaofeng;Wu, Xiaoqing;Yao, Xi;
7:1:16:2 Electrical properties of K0.5Na0.5NbO3 thin films grown on Nb:SrTiO3 single-crystalline substrates with different crystallographic orientations
DOI:10.1063/1.4773542 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:11 AU: Yu, Qi;Li, Jing-Feng;Sun, Wei;Zhou, Zhen;Xu, Ying;Xie, Zhen-Kun;Lai, Feng-Ping;Wang, Qing-Ming;
7:1:16:3 Lead-free (K, Na)NbO3 ferroelectric thin films: Preparation, structure and electrical properties
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7:1:16:4 Effect of Pyrolysis Temperature on Sol-Gel Synthesis of Lead-free Piezoelectric (K,Na)NbO3 Films on Nb:SrTiO3 Substrates
DOI:10.1111/jace.12675 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:2 AU: Yu, Qi;Li, Jing-Feng;Chen, Yanna;Cheng, Li-Qian;Sun, Wei;Zhou, Zhen;Wang, Zhanjie;
7:1:16:5 Fundamental Issues in the Synthesis of Ferroelectric Na0.5K0.5NbO3 Thin Films by Sol-Gel Processing
DOI:10.1021/cm903697j JN:CHEMISTRY OF MATERIALS PY:2010 TC:18 AU: Chowdhury, Anirban;Bould, Jonathan;Londesborough, Michael G. S.;Milne, Steven J.;
7:1:16:6 Effect of substrate on microstructure and mechanical properties of sol-gel prepared (K, Na)NbO3 thin films
DOI:10.1016/j.mseb.2012.12.003 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2013 TC:4 AU: Brunckova, H.;Medvecky, L.;Hvizdos, P.;
7:1:16:7 Effect of deposition temperature on structural, mechanical, optical and dielectric properties of radio frequency sputtered nanocrystalline (KxNa1-x)NbO3 thin films
DOI:10.1016/j.tsf.2014.04.007 JN:THIN SOLID FILMS PY:2014 TC:3 AU: Mahesh, P.;Pamu, D.;
7:1:16:8 Effect of Pyrolysis Temperature on K(0.5)Na(0.5)NbO(3) Thick Films Derived from Polyvinylpyrrolidone-Modified Chemical Solution
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7:1:16:9 Leakage current behavior in lead-free ferroelectric (K, Na)NbO3-LiTaO3-LiSbO3 thin films
DOI:10.1063/1.3531575 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Abazari, M.;Safari, A.;
7:1:16:10 Ferroelectric, piezoelectric, and leakage current properties of (K0.48Na0.48Li0.04)(Nb0.775Ta0.225)O-3 thin films grown by pulsed laser deposition
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7:1:16:11 Orientation-dependent piezoelectricity and domain characteristics of tetragonal Pb(Zr-0.3,Ti-0.7)(0.98)Nb0.02O3 thin films on Nb-doped SrTiO3 substrates
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7:1:16:12 Shift of morphotropic phase boundary in high-performance [111]-oriented epitaxial Pb (Zr, Ti)O-3 thin films
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7:1:16:13 Strained ferroelectric NaNbO3 thin films: Impact of pulsed laser deposition growth conditions on structural properties
DOI:10.1016/j.tsf.2014.09.016 JN:THIN SOLID FILMS PY:2014 TC:0 AU: Sellmann, Jan;Schwarzkopf, Jutta;Kwasniewski, Albert;Schmidbauer, Martin;Braun, Dorothee;Duk, Andreas;
7:1:16:14 Effect of deposition temperature on orientation and electrical properties of (K0.5Na0.5)NbO3 thin films by pulsed laser deposition
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7:1:16:15 Cobalt doping effects on structures and electrical properties of lead-free ferroelectric K0.5Na0.5NbO3 films
DOI:10.1016/j.jallcom.2014.04.118 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:3 AU: Wang, Lingyan;Ren, Wei;Shi, Peng;Wu, Xiaoqing;
7:1:16:16 Enhanced piezoelectric properties of Ta substituted-(K0.5Na0.5)NbO3 films: A candidate for lead-free piezoelectric thin films
DOI:10.1016/j.jallcom.2011.03.031 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:12 AU: Lee, Sun Young;Ahn, Chang Won;Kim, Jin Soo;Ullah, Aman;Lee, Hai Joon;Hwang, Hak-In;Choi, Jin Sik;Park, Bae Ho;Kim, Ill Won;
7:1:16:17 Preparation and characterization of sol-gel derived (Li,Ta,Sb) modified (K,Na)NbO3 lead-free ferroelectric thin films
DOI:10.1016/j.matchemphys.2011.06.022 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:5 AU: Wang, Li;Zuo, Ruzhong;Liu, Longdong;Su, Hailin;Shi, Min;Chu, Xiangcheng;Wang, Xiaohui;Li, Longtu;
7:1:16:18 Pulsed laser deposition of single-phase lead-free NKLNST thin films with K- and Na-excess targets
DOI:10.1016/j.jallcom.2013.03.049 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:1 AU: Zhu, Mingmin;Shang, Xunzhong;Chang, Gang;Li, Mingkai;Liu, Xiong;Zhou, Taosheng;He, Yunbin;
7:1:16:19 Lithium diffusion in (Li, K, Na)NbO3 piezoeletric thin films and the resulting approach for enhanced performance properties
DOI:10.1063/1.3631761 JN:APPLIED PHYSICS LETTERS PY:2011 TC:9 AU: Goh, Phoi Chin;Yao, Kui;Chen, Zhong;
7:1:16:20 Determination of crystallographic orientation of lead-free piezoelectric (K,Na)NbO3 epitaxial thin films grown on SrTiO3 (100) surfaces
DOI:10.1063/1.4868431 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Yu, Qi;Zhu, Fang-Yuan;Cheng, Li-Qian;Wang, Ke;Li, Jing-Feng;
7:1:16:21 Effect of different calcination temperatures and post annealing on the properties of 1,3 propanediol based Sol-Gel (Na0.5K0.5) NbO3 (NKN) thin films
DOI:10.1016/j.jallcom.2012.08.099 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:2 AU: Wiegand, Sebastian;Flege, Stefan;Baake, Olaf;Ensinger, Wolfgang;
7:1:16:22 Linear Thermal Expansion of Lead-Free Piezoelectric K0.5Na0.5NbO3 Ceramics in a Wide Temperature Range
DOI:10.1111/j.1551-2916.2011.04628.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:5 AU: Malic, Barbara;Razpotnik, Helena;Koruza, Jurij;Kokalj, Samo;Cilensek, Jena;Kosec, Marija;
7:1:16:23 Lead-Free Ferroelectric Potassium Sodium Niobate Thin Films from Solution: Composition and Structure
DOI:10.1111/j.1551-2916.2011.04892.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:14 AU: Kupec, Alja;Malic, Barbara;Tellier, Jenny;Tchernychova, Elena;Glinsek, Sebastjan;Kosec, Marija;
7:1:16:24 Effect of A-site Excess on the Piezoelectric Properties of ( K-0.48 N-a0.52)(1+x)(Nb0.55Ta0.45) O-3 Thin Films
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7:1:16:25 A comparative study of fibre-textured and epitaxial Nb-doped Pb(Zr0.53Ti0.47)O-3 thin films on different substrates
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7:1:16:26 Structural and dielectric properties of the lead-free (1-x)K0.5Na0.5NbO3-xSrTiO(3) thin films from solutions
DOI:10.1016/j.jallcom.2014.01.193 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:0 AU: Kupec, Alja;Malic, Barbara;
7:1:16:27 Structures, electrical properties, and leakage current behaviors of un-doped and Mn-doped lead-free ferroelectric K0.5Na0.5NbO3 films
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7:1:16:28 Structures and electrical properties of Mn- and Co-doped lead-free ferroelectric K0.5Na0.5NbO3 films prepared by a chemical solution deposition method
DOI:10.1016/j.tsf.2013.04.045 JN:THIN SOLID FILMS PY:2013 TC:4 AU: Wang, Lingyan;Ren, Wei;Phoi Chin Goh;Yao, Kui;Shi, Peng;Wu, Xiaoqing;Yao, Xi;
7:1:16:29 Phase transitional behavior of potassium sodium niobate thin films
DOI:10.1016/j.tsf.2013.05.098 JN:THIN SOLID FILMS PY:2013 TC:2 AU: Kupec, Alja;Gemeiner, Pascale;Dkhil, Brahim;Malic, Barbara;
7:1:16:30 Effects of deposition temperature on structure and properties of (K0.48Na0.52)NbO3 ferroelectric thin films by pulsed laser deposition
DOI:10.1063/1.4823852 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Tian, Aifen;Ren, Wei;Wang, Lingyan;Du, Huiling;Yao, Xi;
7:1:16:31 Influence of Oxygen Pressure on Structures and Electrical Properties of Lead-free (K0.44Na0.52Li0.04)(Nb0.86Ta0.10Sb0.04)O3 Thin Films Deposited by Pulsed Laser Deposition
DOI:10.1080/10584587.2012.735890 JN:INTEGRATED FERROELECTRICS PY:2012 TC:0 AU: Tian, Aifen;Ren, Wei;Shi, Peng;Wu, Xiaoqing;Chen, Xiaofeng;
7:1:16:32 Effects of thickness on structures and electrical properties of Mn-doped K0.5Na0.5NbO3 films
DOI:10.1016/j.jallcom.2013.08.094 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:1 AU: Wang, Lingyan;Ren, Wei;Shi, Peng;Wu, Xiaoqing;Yao, Xi;
7:1:16:33 Enhanced ferroelectric properties in Bi-doped K0.5Na0.5NbO3 thin films prepared by pulsed laser deposition
DOI:10.1016/j.mseb.2013.08.010 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2013 TC:1 AU: Tian, Aifen;Ren, Wei;Wang, Lingyan;Du, Huiling;Yao, Xi;
7:1:16:34 Processing of highly oriented (K,Na)NbO3 thin films using a tailored metal-alkoxide precursor solution
DOI:10.1016/j.jeurceramsoc.2011.04.031 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2011 TC:8 AU: Nakashima, Yoshifumi;Sakamoto, Wataru;Yogo, Toshinobu;
7:1:16:35 Effects of thickness on structures and electrical properties of K0.5Na0.5NbO3 thick films derived from polyvinylpyrrolidone-modified chemical solution
DOI:10.1016/j.ceramint.2011.04.104 JN:CERAMICS INTERNATIONAL PY:2012 TC:8 AU: Wang, Lingyan;Ren, Wei;Yao, Kui;Shi, Peng;Wu, Xiaoqing;Yao, Xi;
7:1:16:36 Effects of oxygen ambient on dielectric and ferroelectric properties of lead free Li-x(K0.5Na0.5)((1-x))NbO3 thin films derived from chemical solution deposition
DOI:10.1016/j.jallcom.2012.12.015 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:0 AU: Ye, Peng;Liu, Guolei;He, Shumin;Cao, Mu;Kang, Shishou;Chen, Yanxue;Yan, Shishen;Mei, Liangmo;
7:1:16:37 Properties of (K,Na)NbO3-based lead-free piezoelectric films prepared by pulsed laser deposition
DOI:10.1016/j.tsf.2010.06.016 JN:THIN SOLID FILMS PY:2010 TC:5 AU: Chua, Ngeah Theng;You, Lu;Ma, Jan;Wang, Junling;
7:1:16:38 Ferroelectric (K0.44Na0.52 Li0.04)(Nb0.86Ta0.10Sb0.04)O3 Thin Films Prepared by Pulsed Laser Deposition
DOI:10.1080/00150193.2010.484337 JN:FERROELECTRICS PY:2010 TC:2 AU: Tian, Aifen;Ren, Wei;Shi, Peng;Chen, Xiaofeng;Wu, Xiaoqing;Yao, Xi;
7:1:16:39 Impedance spectroscopy and relaxation phenomena of (Na,K) excess Na0 5K0 5NbO3 thin films grown by chemical solution deposition
DOI:10.1016/j.tsf.2010.08.133 JN:THIN SOLID FILMS PY:2010 TC:3 AU: Lee, Sun Young;Kim, Jin Soo;Ahn, Chang Won;Hwang, Hak In;Kim, Ill Won;
7:1:16:40 Evidence of phase heterogeneity in sol-gel Na0.5K0.5NbO3 system
DOI:10.1016/j.matchemphys.2010.06.009 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2010 TC:7 AU: Chowdhury, Anirban;Bould, Jonathan;Londesborough, Michael G. S.;Vecernikova, Eva;Milne, Steven J.;
7:1:16:41 Analysis of continuous stiffness data measured during nanoindentation of titanium films on glass substrate
DOI:10.1016/j.matchemphys.2010.10.026 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:3 AU: Wen, Tao;Gong, Jianghong;Peng, Zhijian;Jiang, Danyu;Wang, Chengbiao;Fu, Zhiqiang;Miao, Hezhuo;
7:1:16:42 Effects of excess amount of K and Na on properties of (K0.48Na0.52)NbO3 thin films
DOI:10.1016/j.ceramint.2011.04.101 JN:CERAMICS INTERNATIONAL PY:2012 TC:1 AU: Li, Gang;Wu, Xiao-Qing;Ren, Wei;Shi, Peng;Chen, Xiao-Feng;Yao, Xi;
7:1:16:43 Effect of Amount of Polyvinylpyrrolidone Introduced in Solution-Derived Ferroelectric K0.5Na0.5NbO3 Thick Films
DOI:10.1080/00150193.2010.482500 JN:FERROELECTRICS PY:2010 TC:1 AU: Wang, Lingyan;Yao, Kui;Ren, Wei;
7:1:16:44 Composition-phase structure relationship and thickness-dependent ferroelectricity of rhombohedral phase in [1 1 1]-textured Nb-doped Pb(Zr,Ti)O-3 thin films
DOI:10.1016/j.apsusc.2012.11.006 JN:APPLIED SURFACE SCIENCE PY:2013 TC:2 AU: Yu, Qi;Li, Jing-Feng;Sun, Wei;
7:1:16:45 Piezoelectric Properties of Lead-free Piezoelectric Ceramics and Their Energy Harvester Characteristics
DOI:10.1111/jace.12227 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:3 AU: Seo, In-Tae;Choi, Chang-Hoi;Song, Daniel;Jang, Min-Soo;Kim, Bo-Yun;Nahm, Sahn;Kim, Young-Sik;Sung, Tae-Hyun;Song, Hyun-Cheol;
7:1:16:46 A study on the stability of a PZT precursor solution based on the time evolution of mean particles size and pH
DOI:10.1016/j.matchemphys.2010.04.017 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2010 TC:3 AU: Suarez-Gomez, A.;Saniger-Blesa, J. M.;Calderon-Pinar, F.;
7:1:17:1 Interband electronic transitions and phase transformation of multiferroic Bi1-xLaxFe1-yTiyO3 ceramics revealed by temperature-dependent spectroscopic ellipsometry
DOI:10.1063/1.4851795 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Xu, L. P.;Zhang, L. L.;Jiang, P. P.;Yu, J.;Duan, Z. H.;Hu, Z. G.;Zhu, Z. Q.;Chu, J. H.;
7:1:17:2 Temperature-dependent dielectric functions and interband critical points of relaxor lead hafnate-modified PbSc1/2Ta1/2O3 ferroelectric ceramics by spectroscopic ellipsometry
DOI:10.1063/1.4802205 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Duan, Z. H.;Hu, Z. G.;Jiang, K.;Li, Y. W.;Wang, G. S.;Dong, X. L.;Chu, J. H.;
7:1:17:3 A phenomenological model of electronic band structure in ferroelectric Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals around the morphotropic phase boundary determined by temperature-dependent transmittance spectra
DOI:10.1016/j.actamat.2011.07.025 JN:ACTA MATERIALIA PY:2011 TC:8 AU: Zhu, J. J.;Li, W. W.;Xu, G. S.;Jiang, K.;Hu, Z. G.;Chu, J. H.;
7:1:17:4 Abnormal electronic transition variations of lanthanum-modified lead zironate stannate titanate ceramics near morphotropic phase boundary: A spectroscopic evidence
DOI:10.1063/1.4733683 JN:APPLIED PHYSICS LETTERS PY:2012 TC:8 AU: Chen, X.;Jiang, K.;Hu, Z. G.;Chen, X. F.;Wang, G. S.;Dong, X. L.;Chu, J. H.;
7:1:17:5 Abnormal temperature dependence of interband electronic transitions in relaxor-based ferroelectric (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (x=0.24 and 0.31) single crystals
DOI:10.1063/1.3560342 JN:APPLIED PHYSICS LETTERS PY:2011 TC:12 AU: Zhu, J. J.;Li, W. W.;Xu, G. S.;Jiang, K.;Hu, Z. G.;Zhu, M.;Chu, J. H.;
7:1:17:6 Temperature-dependent Raman scattering and multiple phase coexistence in relaxor ferroelectric Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals
DOI:10.1063/1.4825322 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Zhu, J. J.;Jiang, K.;Xu, G. S.;Hu, Z. G.;Li, Y. W.;Zhu, Z. Q.;Chu, J. H.;
7:1:17:7 Electronic band structures, dielectric functions and interband transitions of relaxor ferroelectric (1-x) Pb (Sc1/2Ta1/2) O-3-xPbHfO(3) ceramics: A spectroscopic reflectance study
DOI:10.1016/j.actamat.2012.07.061 JN:ACTA MATERIALIA PY:2012 TC:3 AU: Zhang, W. J.;Duan, Z. H.;Jiang, K.;Hu, Z. G.;Wang, G. S.;Dong, X. L.;Chu, J. H.;
7:1:17:8 Effects from A-site substitution on morphotropic phase boundary and phonon modes of (Pb1-1.5xLax)(Zr0.42Sn0.40T0.18)O-3 ceramics by temperature dependent Raman spectroscopy
DOI:10.1063/1.4816093 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:7 AU: Chen, X.;Hu, Z. G.;Duan, Z. H.;Chen, X. F.;Wang, G. S.;Dong, X. L.;Chu, J. H.;
7:1:17:9 Optical bandgap and phase transition in relaxor ferroelectric Pb(Mg1/3Nb2/3) O-3-xPbTiO(3) single crystals: An inherent relationship
DOI:10.1063/1.4816965 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Zhang, X. L.;Hu, Z. G.;Xu, G. S.;Zhu, J. J.;Li, Y. W.;Zhu, Z. Q.;Chu, J. H.;
7:1:17:10 Dielectric function spectra at 40 K and critical-point energies for CuIn0.7Ga0.3Se2
DOI:10.1063/1.4773362 JN:APPLIED PHYSICS LETTERS PY:2012 TC:9 AU: Choi, S. G.;Chen, R.;Persson, C.;Kim, T. J.;Hwang, S. Y.;Kim, Y. D.;Mansfield, L. M.;
7:1:17:11 The A-site driven phase transition procedure of (Pb0.97La0.02)(Zr0.42Sn0.40Ti0.18)O-3 ceramics: An evidence from electronic structure variation
DOI:10.1063/1.4829757 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Chen, X.;Jiang, P. P.;Duan, Z. H.;Hu, Z. G.;Chen, X. F.;Wang, G. S.;Dong, X. L.;Chu, J. H.;
7:1:17:12 Electronic transitions and dielectric functions of relaxor ferroelectric Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals: Temperature dependent spectroscopic study
DOI:10.1063/1.4870426 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Zhu, J. J.;Zhang, J. Z.;Xu, G. S.;Zhang, X. L.;Hu, Z. G.;Chu, J. H.;
7:1:17:13 Large electric-induced pyroelectric properties in (Pb0.87La0.02Ba0.1) (Zr0.7Sn0.24Ti0.06)O-3 antiferroelectric ceramics with excess PbO
DOI:10.1063/1.3596577 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:7 AU: Zhang, Qingfeng;Jiang, Shenglin;Zeng, Yike;Fan, Maoyan;Zhang, Guangzu;Zhang, Yangyang;Yu, Yan;Wang, Jing;He, Jungang;
7:1:17:14 Optical interband transitions in relaxor-based ferroelectric 0.93Pb(Zn1/3Nb2/3)O-3-0.07PbTiO(3) single crystal
DOI:10.1063/1.3446293 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:18 AU: Sun, Enwei;Zhang, Rui;Wang, Zhu;Xu, Dapeng;Li, Liang;Cao, Wenwu;
7:1:17:15 Phonon mode and phase transition behaviors of (1-x)PbSc1/2Ta1/2O3-xPbHfO(3) relaxor ferroelectric ceramics determined by temperature-dependent Raman spectra
DOI:10.1063/1.3614431 JN:APPLIED PHYSICS LETTERS PY:2011 TC:6 AU: Zhang, W. J.;Li, W. W.;Chen, X. G.;Hu, Z. G.;Liu, W.;Wang, G. S.;Dong, X. L.;Chu, J. H.;
7:1:17:16 The Effect of Excess PbO on Dielectric and Pyroelectric Properties of Lead Scandium Tantalate Ceramics
DOI:10.1111/j.1551-2916.2010.03767.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:9 AU: Liu, Wei;Wang, Genshui;Cao, Sheng;Mao, Chaoliang;Cao, Fei;Dong, Xianlin;
7:1:17:17 Temperature dependent near infrared ultraviolet range dielectric functions of nanocrystalline (Na0.5Bi0.5)(1-x)Ce-x(Ti0.99Fe0.01)O-3 films
DOI:10.1063/1.4863417 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Zhang, S.;Zhang, J. Z.;Han, M. J.;Li, Y. W.;Hu, Z. G.;Chu, J. H.;
7:1:17:18 Intrinsic relationship between electronic structures and phase transition of SrBi2-xNdxNb2O9 ceramics from ultraviolet ellipsometry at elevated temperatures
DOI:10.1063/1.4864715 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Duan, Z. H.;Jiang, K.;Xu, L. P.;Li, Y. W.;Hu, Z. G.;Chu, J. H.;
7:1:17:19 Microstructure and electrical properties of (Pb0.87Ba0.1La0.02)(Zr0.68Sn0.24Ti0.08)O-3 anti-ferroelectric ceramics fabricated by the hot-press sintering method
DOI:10.1016/j.jeurceramsoc.2012.08.011 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:8 AU: Zhang, Guangzu;Liu, Sisi;Yu, Yan;Zeng, Yike;Zhang, Yangyang;Hu, Xu;Jiang, Shenglin;
7:1:17:20 Phase diagram and incommensurate antiferroelectric structure in (Pb1-1.5xLax)(Zr0.42Sn0.40Ti0.18)O-3 ceramics discovered by band-to-band optical transitions
DOI:10.1063/1.4897357 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Ding, X. J.;Xu, L. P.;Hu, Z. G.;Chen, X. F.;Wang, G. S.;Dong, X. L.;Chu, J. H.;
7:1:17:21 High temperature phase transitions and critical exponents of Samarium orthoferrite determined by in situ optical ellipsometry
DOI:10.1063/1.3692088 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Berini, B.;Fouchet, A.;Popova, E.;Scola, J.;Dumont, Y.;Franco, N.;da Silva, R. M. C.;Keller, N.;
7:1:17:22 Structural, Dielectric, and Pyroelectric Properties of (1-x)PbSc0.5Ta0.5O3-(x)PbHfO3 Ceramics
DOI:10.1111/j.1551-2916.2010.03996.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:5 AU: Liu, Wei;Wang, Genshui;Cao, Sheng;Mao, Chaoliang;Dong, Xianlin;
7:1:17:23 Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by spectroscopic ellipsometry
DOI:10.1103/PhysRevB.86.224105 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;
7:1:17:24 Domain structures and nanostructures in incommensurate antiferroelectric PbxLa1-x(Zr0.9Ti0.1)O-3
DOI:10.1063/1.3460106 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:9 AU: MacLaren, Ian;Villaurrutia, Rafael;Pelaiz-Barranco, Aime;
7:1:17:25 Dielectric and enhanced pyroelectric properties of (Pb0.325Sr0.675)TiO3 ceramics under direct current bias field
DOI:10.1063/1.4773219 JN:APPLIED PHYSICS LETTERS PY:2012 TC:2 AU: Lei, Xiuyun;Dong, Xianlin;Mao, Chaoliang;Chen, Ying;Cao, Fei;Wang, Genshui;
7:1:17:26 The Phase Transition Behavior of (1-x)Pb(Sc0.5Ta0.5)O-3-(x)PbHfO3 Ceramics
DOI:10.1111/j.1551-2916.2011.04437.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:2 AU: Liu, Wei;Wang, Genshui;Cao, Sheng;Mao, Chaoliang;Yao, Chunhua;Cao, Fei;Dong, Xianlin;
7:1:17:27 Transformation stress induced metastable tetragonal phase in (93-92)%Pb(Zn(1/3)Nb(2/3))O(3)-(7-8)%PbTiO(3) single crystals
DOI:10.1063/1.3460804 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:6 AU: Chang, W. S.;Lim, L. C.;Yang, P.;Ku, C. -S.;Lee, H. -Y.;Tu, C. -S.;
7:1:17:28 Ultrabroadband dielectric spectroscopy and phonons in (Pb1-x/2Lax)(Zr0.9Ti0.1)O-3
DOI:10.1063/1.3501105 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:7 AU: Buixaderas, E.;Bovtun, V.;Veljko, S.;Savinov, M.;Kuzel, P.;Gregora, I.;Kamba, S.;Reaney, I.;
7:1:17:29 Pyroelectric Properties of Highly Ordered Pb(Sc0.5Ta0.5)O-3 Ceramics by a Two-Step Sintering Technique
DOI:10.1111/j.1551-2916.2010.04239.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:4 AU: Liu, Wei;Wang, Genshui;Cao, Sheng;Mao, Chaoliang;Yao, Chunhua;Cao, Fei;Dong, Xianlin;
7:1:17:30 Optoelectronic and Ferroelectric Properties of Cerium-Doped (Na0.5Bi0.5)(Ti0.99Fe0.01)O-3 Nanocrystalline Films on (111) Pt/TiO2/SiO2/Si: A Composition-Dependent Study
DOI:10.1021/am400196c JN:ACS APPLIED MATERIALS & INTERFACES PY:2013 TC:8 AU: Zhang, Si;Han, Meijie;Zhang, Jinzhong;Li, Yawei;Hu, Zhigao;Chu, Junhao;
7:1:17:31 Lattice vibrations and dielectric functions of ferroelectric SrBi2-x,NdxNb2O9 bismuth layer-structured ceramics determined by infrared reflectance spectra
DOI:10.1016/j.materresbull.2010.07.007 JN:MATERIALS RESEARCH BULLETIN PY:2010 TC:7 AU: Zhu, M.;Sun, L.;Li, W. W.;Yu, W. L.;Li, Y. W.;Hu, Z. G.;Chu, J. H.;
7:1:17:32 Low thermal hysteresis pyroelectric response near the ferroelectric/antiferroelectric phase transition in Pb0.97La0.02(Zr0.42Sn0.40Ti0.18)O-3 ceramics
DOI:10.1063/1.3476284 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Zhang, Hongling;Chen, Xuefeng;Cao, Fei;Wang, Genshui;Dong, Xianlin;Gu, Yan;He, Hongliang;Liu, Yusheng;
7:1:17:33 Effect of Sintering Atmosphere on the Microstructure and Electrical Properties of Donor-Doped Barium Strontium Calcium Titanate Pyroelectric Ceramics
DOI:10.1111/j.1551-2916.2011.04621.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:5 AU: Mao, Chaoliang;Cao, Sheng;Yao, Chunhua;Cao, Fei;Li, Kui;Liu, Wei;Wang, Genshui;Dong, Xianlin;Hu, Xu;Yang, Chunli;
7:1:17:34 Spectroscopic ellipsometry analysis of perovskite manganite films for resistance switching devices
DOI:10.1016/j.tsf.2013.11.145 JN:THIN SOLID FILMS PY:2014 TC:3 AU: Yamada, Masaki;Sakai, Osamu;Nakamura, Toshihiro;
7:1:17:35 Theory of high-energy optical conductivity and the role of oxygens in manganites
DOI:10.1103/PhysRevB.84.075136 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Majidi, Muhammad Aziz;Su, Haibin;Feng, Yuan Ping;Ruebhausen, Michael;Rusydi, Andrivo;
7:1:17:36 Temperature-dependent and anisotropic optical response of layered Pr0.5Ca1.5MnO4 probed by spectroscopic ellipsometry
DOI:10.1103/PhysRevB.87.235135 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Majidi, M. A.;Thoeng, E.;Gogoi, P. K.;Wendt, F.;Wang, S. H.;Santoso, I.;Asmara, T. C.;Handayani, I. P.;van Loosdrecht, P. H. M.;Nugroho, A. A.;Ruebhausen, M.;Rusydi, A.;
7:1:17:37 Investigation on the Phase Transition Behaviors in Pb0.97La0.02(Zr0.42Sn0.40Ti0.18)O3 Ceramics
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7:1:17:38 Pyroelectric response mechanism of barium strontium titanate ceramics in dielectric bolometer mode: The underlying essence of the enhancing effect of direct current bias field
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7:1:17:39 Determination of yttrium iron garnet superexchange parameters as a function of oxygen and cation stoichiometry
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7:1:17:40 Pulsed laser deposition and optical characterizations of the magnetic samarium orthoferrite
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7:1:17:41 Geometric resonances in far-infrared reflectance spectra of PbTiO3 ceramics
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7:1:17:42 Pyroelectric Responses in Pb(Sc1/2Ta1/2)O-3 Ceramics Measured from Hysteresis Loops at Various Temperatures
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7:1:17:43 Dielectric properties and phase transitions of [001], [110], and [111] oriented Pb(Zn1/3Nb2/3)O-3-6%PbTiO3 single crystals
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7:1:17:44 Large electric-induced pyroelectric properties in (Pb0.87La0.02Ba0.1)(Zr0.7Sn0.24Ti0.06)O-3 antiferroelectric ceramics with excess PbO (vol 109, 124111, 2011)
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7:1:18:1 Ferroelectric Transition and Low-Temperature Dielectric Relaxations in Filled Tungsten Bronzes
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7:1:18:2 Structural Evolving Sequence and Porous Ba6Zr2Nb8O30 Ferroelectric Ceramics with Ultrahigh Breakdown Field and Zero Strain
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7:1:18:3 Photoluminescence and electrical characterization of unfilled tetragonal tungsten bronze Ba4La1-xEuxTiNb9O30
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7:1:18:4 Crystal structure, dielectric and magnetic properties of Ba5NdNi15Nb8.5O30 tungsten bronze ceramic
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7:1:18:5 Bright reddish-orange emission and enhanced electrical properties of Sm-doped unfilled tetragonal tungsten bronze Ba4LaTiNb9O30
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7:1:18:6 Thermal hysteresis of ferroelectric transition in Sr4R2Ti4Nb6O30 (R=Sm and Eu) tetragonal tungsten bronzes
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7:1:18:7 Crystal Structure and Dielectric Properties of Sr5RTi3Nb7O30 (R=La, Nd, Sm, and Eu) Tungsten Bronze Ceramics
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7:1:18:8 Effects of Ca-dopant on the pyroelectric, piezoelectric and dielectric properties of (Sr0.6Ba0.4)(4)Na2Nb10O30 ceramics
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7:1:18:9 Preparation and dielectric properties of unfilled tungsten bronze ferroelectrics Ba4RETiNb9O30
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7:1:18:10 Re-entrant relaxor behavior of Ba5RTi3Nb7O30 (R = La, Nd, Sm) tungsten bronze ceramics
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7:1:18:11 Effects of Ca-substitution on structural, dielectric, and ferroelectric properties of Ba5SmTi3Nb7O30 tungsten bronze ceramics
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7:1:18:12 Synthesis and ferroelectric properties of rare earth compounds with tungsten bronze-type structure
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7:1:18:13 Novel Incipient Ferroelectrics Based on Ba4MNbxTa10-xO30 where M = Zn, Mg, Co, Ni
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7:1:18:14 Relaxor ferroelectric characteristics of Ba5LaTi3Nb7O30 tungsten bronze ceramics
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7:1:18:15 Correlation between upconversion photoluminescence and dielectric response in Ba-substituted (Sr1-xBax)(4)(La0.85Ho0.025Yb0.125)(2)Ti4Nb6O30
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7:1:18:16 Multiferroic ceramics in BaO-Y2O3-Fe2O3-Nb2O5 system
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7:1:18:17 Structure and dielectric properties of Ba5NdCu1.5Nb8.5O30-delta tungsten bronze ceramics
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7:1:18:18 Origin and stability of the dipolar response in a family of tetragonal tungsten bronze relaxors
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7:1:18:19 Investigations of Structural, Dielectric and Electrical Behaviour of Calcium Substituted Ba5NdTi3Nb7O30 Ferroelectric Ceramics
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7:1:18:20 Dielectric and Ferroelectric Characteristics of Ba5NdFe1.5Nb8.5O30 Tungsten Bronze Ceramics
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7:1:18:21 Room temperature multiferroic Ba4Bi2Fe2Nb8O30: Structural, dielectric, and magnetic properties
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7:1:18:22 Effects of Nb-substitution on structure, dielectric, ferroelectric and magnetic properties of Ba4Nd2Fe2Ta8O30 ceramics
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7:1:18:23 Ferroelectric Transition of Sr5SmTi3Nb7O30 Tungsten Bronze Ceramics Investigated Using Differential Scanning Calorimetry and Raman Scattering
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7:1:18:24 Relaxor nature in lead-free Sr5LaTi3Nb7O30 tetragonal tungsten bronze ceramics
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7:1:18:25 Crystal Structure and Ferroelectric Behaviors of Ba5SmTi3Ta7O30 and Ba4Sm2Ti4Ta6O30 Tungsten Bronze Ceramics
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7:1:18:26 Crystal structure, dielectric relaxation and magnetic properties of Ba5NdNiNb9O30 ceramics
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7:1:18:27 Ferroelectric phase transition and low-temperature dielectric relaxations in Sr-4(La1-xSmx)(2)Ti4Nb6O30 ceramics
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7:1:18:28 Phase transition hysteresis of ferroelectric Sr5EuTi3Nb7O30 ceramics with tetragonal tungsten bronze structure
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7:1:18:29 Evolution of structure, dielectric properties, and re-entrant relaxor behavior in Ba5LaxSm1-xTi3Nb7O30 (x=0.1, 0.25, 0.5) tungsten bronze ceramics
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7:1:18:30 Structural, Dielectric and Pyroelectric Properties of Praseodymium Based Complex Tungsten Bronze Ferroelectrics
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7:1:18:31 Effects of A1/A2-Sites Occupancy upon Ferroelectric Transition in (SrxBa1-x) Nb2O6 Tungsten Bronze Ceramics
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7:1:18:32 Luminescence and defect centres in MgSrAl10O17:Sm3+ phosphor
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7:1:18:33 Ba(4)Ln(2)Fe(2)Ta(8)O(30) (Ln=Pr, Eu): Temperature-Stable Low Loss Dielectrics with a Tungsten Bronze Structure
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7:1:18:34 Crystal growth and characterization of tetragonal tungsten bronze FerroNiobates Ba(2)LnFeNb(4)O(15)
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7:1:18:35 Phase transitions and electrical characterizations of (K0.5Na0.5)(2x)(Sr0.6Ba0.4)(5-x)Nb10O30 (KNSBN) ceramics with 'unfilled' and 'filled' tetragonal tungsten-bronze (TTB) crystal structure
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7:1:18:36 Enhanced Ferroelectric Properties of Intragranular-Porous Pb(Zr0.95Ti0.05)O-3 Ceramic Fabricated with Carbon Nanotubes
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7:1:18:37 Formation Mechanism of Intragranular Pores in Pb(Zr0.95Ti0.05)O3 Ferroelectric Ceramic
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7:1:18:38 New Cu3TeO6 Ceramics: Phase Formation and Dielectric Properties
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7:1:18:39 Novel high dielectric constant and low-loss tetragonal tungsten bronze dielectrics Ba(5)LnMgNb(9)O(30) (Ln=La, Nd, Sm, Gd and Yb)
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7:1:18:40 Dielectric and ferroelectric properties of tungsten bronze ferroelectrics in SrO-Pr2O3-TiO2-Nb2O5 system
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7:1:18:41 Dielectric Properties of Ba4Sm2Fe2M8O30 (M=Nb, Ta) with Tetragonal Bronze Structure
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7:1:18:42 On the nature of phase transitions in the tetragonal tungsten bronze GdK2Nb5O15 ceramics
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7:1:18:43 Ferroelectric phase transition and low-temperature dielectric relaxations in Sr-4(La1-xSmx)(2)Ti4Nb6O30 ceramics (vol 110, 114101, 2011)
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7:1:18:44 Al2TeO6: Mechanism of phase formation and dielectric properties
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7:1:18:45 Monte Carlo Study of Ferroelectric Properties of Tetragonal Tungsten Bronze Compounds
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7:1:19:1 Origins of Electro-Mechanical Coupling in Polycrystalline Ferroelectrics During Subcoercive Electrical Loading
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7:1:19:2 Substrate Clamping Effects on Irreversible Domain Wall Dynamics in Lead Zirconate Titanate Thin Films
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7:1:19:3 Domain wall and interphase boundary motion in a two-phase morphotropic phase boundary ferroelectric: Frequency dispersion and contribution to piezoelectric and dielectric properties
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7:1:19:4 Deaging and Asymmetric Energy Landscapes in Electrically Biased Ferroelectrics
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7:1:19:5 Critical thickness for extrinsic contributions to the dielectric and piezoelectric response in lead zirconate titanate ultrathin films
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7:1:19:6 First-order morphological transition of ferroelastic domains in ferroelectric thin films
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7:1:19:7 Temperature-dependent dielectric nonlinearity of relaxor ferroelectric Pb0.92La0.08Zr0.52Ti0.48O3 thin films
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7:1:19:8 Nanoscale Origins of Nonlinear Behavior in Ferroic Thin Films
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7:1:19:9 Temperature-dependent polarization back-switching and dielectric nonlinearity in PbZr0.4Ti0.6O3 ferroelectric thin films
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7:1:19:10 Grain size dependence of properties in lead nickel niobate-lead zirconate titanate films
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7:1:19:11 Influence of a Single Grain Boundary on Domain Wall Motion in Ferroelectrics
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7:1:19:12 Extensive domain wall motion and deaging resistance in morphotropic 0.55Bi(Ni1/2Ti1/2)O-3-0.45PbTiO(3) polycrystalline ferroelectrics
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7:1:19:13 Enhanced dielectric and piezoelectric response in PZT superlattice-like films by leveraging spontaneous Zr/Ti gradient formation
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7:1:19:14 Neutron irradiation effects on domain wall mobility and reversibility in lead zirconate titanate thin films
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7:1:19:15 Strain-modulated piezoelectric and electrostrictive nonlinearity in ferroelectric thin films without active ferroelastic domain walls
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7:1:19:16 Mapping piezoelectric nonlinearity in the Rayleigh regime using band excitation piezoresponse force microscopy
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7:1:19:17 Evaluation of domain wall motion during polymorphic phase transition in (K, Na)NbO3-based piezoelectric ceramics by nonlinear response measurements
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7:1:19:18 Effect of domain structure on dielectric nonlinearity in epitaxial BiFeO3 films
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7:1:19:19 Composition dependence of local piezoelectric nonlinearity in (0.3)Pb(Ni0.33Nb0.67)O-3-(0.7)Pb(ZrxTi1-x)O-3 films
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7:1:19:20 An in situ diffraction study of domain wall motion contributions to the frequency dispersion of the piezoelectric coefficient in lead zirconate titanate
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7:1:19:21 Rayleigh analysis of dielectric properties in textured K0.5Na0.5NbO3 ceramics
DOI:10.1063/1.4902858 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Haugen, Astri Bjornetun;Morozov, Maxim I.;Jones, Jacob L.;Einarsrud, Mari-Ann;
7:1:19:22 Chemical homogeneity effects on the nonlinear dielectric response of lead zirconate titanate thin films
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7:1:19:23 Effects of high energy x ray and proton irradiation on lead zirconate titanate thin films' dielectric and piezoelectric response
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7:1:19:24 A modified Rietveld method to model highly anisotropic ceramics
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7:1:19:25 Intrinsic effect of Mn doping in PZN-12%PT single crystals
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7:1:19:26 Fabrication of pure-perovskite PMN-PT thin films on SrTiO3 substrates using pulsed laser deposition
DOI:10.1016/j.jcrysgro.2010.03.012 JN:JOURNAL OF CRYSTAL GROWTH PY:2010 TC:2 AU: Shang, Jie;Zhang, Hui;Li, Yong;Zhou, Xiaofang;Zhang, Pengxiang;
7:1:20:1 Sintering Temperature Dependence of Energy-Storage Properties in (Ba,Sr)TiO3 Glass-Ceramics
DOI:10.1111/j.1551-2916.2010.04301.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:43 AU: Zhang, Yong;Huang, Jiajia;Ma, Tao;Wang, Xiangrong;Deng, Changsheng;Dai, Xiaming;
7:1:20:2 Correlation between dielectric breakdown strength and interface polarization in barium strontium titanate glass ceramics
DOI:10.1063/1.3293456 JN:APPLIED PHYSICS LETTERS PY:2010 TC:34 AU: Huang, Jiajia;Zhang, Yong;Ma, Tao;Li, Hongtao;Zhang, Linwen;
7:1:20:3 Glass additive in barium titanate ceramics and its influence on electrical breakdown strength in relation with energy storage properties
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7:1:20:4 Molybdenum ion: a structural probe in lithium-antimony-germanate glass system by means of dielectric and spectroscopic studies
DOI:10.1007/s10853-014-8345-6 JN:JOURNAL OF MATERIALS SCIENCE PY:2014 TC:1 AU: Vijay, R.;Babu, P. Ramesh;Gandhi, Y.;Piasecki, M.;Rao, D. Krishna;Veeraiah, N.;
7:1:20:5 Dielectric relaxation behavior and energy storage properties in Ba0.4Sr0.6Zr0.15Ti0.85O3 ceramics with glass additives
DOI:10.1016/j.ceramint.2013.02.009 JN:CERAMICS INTERNATIONAL PY:2013 TC:5 AU: Wu, Ting;Pu, Yongping;Chen, Kai;
7:1:20:6 Enhanced energy storage properties of dysprosium doped strontium titanate ceramics
DOI:10.1016/j.ceramint.2013.07.126 JN:CERAMICS INTERNATIONAL PY:2014 TC:4 AU: Hu, Qi-Guo;Shen, Zong-Yang;Li, Yue-Ming;Wang, Zhu-Mei;Luo, Wen-Qin;Xie, Zhi-Xiang;
7:1:20:7 Structure and Dielectric Properties of Re0.02Sr0.97TiO3 (Re = La, Sm, Gd, Er) Ceramics for High-Voltage Capacitor Applications
DOI:10.1111/jace.12364 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:4 AU: Shen, Zong-Yang;Hu, Qi-Guo;Li, Yue-Ming;Wang, Zhu-Mei;Luo, Wen-Qin;Hong, Yan;Xie, Zhi-Xiang;Liao, Run-Hua;
7:1:20:8 Dielectric relaxation behavior and energy storage properties in SrTiO3 ceramics with trace amounts of ZrO2 additives
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7:1:20:9 Structural and dielectric characterization of Gd2O3-added BaO-Na2O-Nb2O5-SiO2 glass-ceramic composites
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7:1:20:10 High Energy Density, High Temperature Capacitors Utilizing Mn-Doped 0.8CaTiO(3)-0.2CaHfO(3) Ceramics
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7:1:20:11 Effect of microwave processes on the energy-storage properties of barium strontium titanate glass ceramics
DOI:10.1557/jmr.2013.386 JN:JOURNAL OF MATERIALS RESEARCH PY:2014 TC:1 AU: Wang, Jinwen;Tang, Linjiang;Shen, Bo;Zhai, Jiwei;
7:1:20:12 Microstructure and ferroelectric properties of Nb2O5-modified BiFeO3-BaTiO3 lead-free ceramics for energy storage
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7:1:20:13 Effects of ZnNb2O6 addition on BaTiO3 ceramics for energy storage
DOI:10.1016/j.mseb.2013.07.003 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2013 TC:6 AU: Wang, Tong;Wei, Xiaoyong;Hu, Qingyuan;Jin, Li;Xu, Zhuo;Feng, Yujun;
7:1:20:14 Effect of the Ba/Na ratio on the microstructure and dielectric properties of (BaO, Na2O)-Nb2O5-SiO2 glass-ceramics
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7:1:20:15 Influence of sintering temperature on energy storage properties of BaTiO3-(Sr1-1.5xBix) TiO3 ceramics
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7:1:20:16 Effect of BaF2 Addition on Crystallization Kinetics and Dielectric Properties of B2O3-Nb2O5-SrO-BaO Glass-Ceramics
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7:1:20:17 Crystallization kinetics and dielectric characterization of CeO2-added BaO-SrO-Nb2O5-B2O3-SiO2 glass-ceramics
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7:1:20:18 Lanthanum doping effect in barium strontium titanate glass ceramics
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7:1:20:19 BaTiO3-SrTiO3 layered dielectrics for energy storage
DOI:10.1016/j.matlet.2010.12.043 JN:MATERIALS LETTERS PY:2011 TC:11 AU: Chao, Sheng;Dogan, Fatih;
7:1:20:20 Crystallization mechanism and ac conductivity studies on strontium barium niobate glass-ceramics
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7:1:20:21 Dielectric properties and charge-discharge behaviors in niobate glass ceramics for energy-storage applications
DOI:10.1016/j.jallcom.2014.08.006 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Xue, Shuangxi;Liu, Shaohui;Zhang, Wenqin;Wang, Jinwen;Tang, Linjiang;Shen, Bo;Zhai, Jiwei;
7:1:20:22 Structural Optimization and Improved Discharged Energy Density for Niobate Glass-Ceramics by La2O3 Addition
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7:1:20:23 Effect of BaF2 addition on crystallization kinetics and electrical properties of BaO-SrO-Nb2O5-B2O3-SiO2 glass-ceramics
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7:1:20:24 Reverse boundary layer capacitor model in glass/ceramic composites for energy storage applications
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7:1:20:25 Blocking effect of crystal-glass interface in lanthanum doped barium strontium titanate glass-ceramics
DOI:10.1016/j.materresbull.2013.05.088 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:4 AU: Wang, Xiangrong;Zhang, Yong;Baturin, Ivan;Liang, Tongxiang;
7:1:20:26 Preparation and dielectric properties of BaCu(B2O5)-doped SrTiO3-based ceramics for energy storage
DOI:10.1016/j.mseb.2013.08.016 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2013 TC:3 AU: Li, Lingxia;Yu, Xiaoxu;Cai, Haocheng;Liao, Qingwei;Han, Yemei;Gao, Zhengdong;
7:1:20:27 Improved discharged energy density for niobate-based B2O3 system glass-ceramics by CeO2 addition
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7:1:20:28 Dielectric breakdown of BaO-B2O3-ZnO-[(BaZr0.2Ti0.80)O-3](0.85) [(Ba0.70Ca0.30)TiO3](0.15) glass-ceramic composites
DOI:10.1016/j.jnoncrysol.2012.05.018 JN:JOURNAL OF NON-CRYSTALLINE SOLIDS PY:2012 TC:7 AU: Puli, Venkata Sreenivas;Kumar, Ashok;Katiyar, R. S.;Su, X.;Busta, C. M.;Chrisey, D. B.;Tomozawa, M.;
7:1:20:29 Property optimization of BST-based composite glass ceramics for energy-storage applications.
DOI:10.1016/j.ceramint.2013.07.145 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Wang, Enwen;Tang, Linjiang;Shen, Bo;Zhai, Ewei;
7:1:20:30 Structure and dielectric properties of BaxSr1-xTiO3-based glass ceramics for energy storage
DOI:10.1016/j.jallcom.2014.08.077 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:3 AU: Zhang, Wenqin;Xue, Shuangxi;Liu, Shaohui;Wang, Jinwen;Shen, Bo;Zhai, Jiwei;
7:1:20:31 Microstructure and energy-storage performance of PbO-B2O3-SiO2-ZnO glass added (Pb0.97La0.02)(Zr0.97Ti0.03)O-3 antiferroelectric thick films
DOI:10.1016/j.materresbull.2012.10.005 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:3 AU: Hao, Xihong;Wang, Peng;Zhang, Xuefeng;Xu, Jinbao;
7:1:20:32 Morphological evolution of tridymite crystal in SrO-BaO-Nb2O5-CaO-SiO2-B2O3 ferroelectric glass-ceramic
DOI:10.1016/j.matlet.2014.04.104 JN:MATERIALS LETTERS PY:2014 TC:0 AU: Liu, Xiaoyan;Pu, Yongping;Wang, Peikui;Dong, Zijing;Sun, Zixiong;Hu, Yao;
7:1:20:33 Charge-Discharge Properties of PLZT x/90/10 Ceramics
DOI:10.1080/10584587.2013.821016 JN:FERROELECTRICS PY:2013 TC:2 AU: Wawrzala, P.;Korzekwa, J.;
7:1:20:34 Optimization of energy storage density in ANb(2)O(6)-NaNbO3-SiO2 (A = [(1-x)Pb, xSr]) nanostructured glass-ceramic dielectrics
DOI:10.1016/j.ceramint.2012.04.087 JN:CERAMICS INTERNATIONAL PY:2012 TC:4 AU: Han, D. F.;Zhang, Q. M.;Luo, J.;Tang, Q.;Du, J.;
7:1:20:35 Effect of the Sr/Ba ratio on the microstructures and dielectric properties of SrO-BaO-Nb2O5-B2O3 glass-ceramics
DOI:10.1016/j.matlet.2013.11.092 JN:MATERIALS LETTERS PY:2014 TC:5 AU: Song, Jun;Chen, Guo-hua;Yuan, Chang-lai;Yang, Yun;
7:1:20:36 Preparation and Dielectric Characterization of Lead-Free Niobate Glass-Ceramic Composites Added with Lu2O3
DOI:10.1111/jace.13010 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:0 AU: Tian, Yuming;Zhou, Yi;Du, Jun;
7:1:20:37 Effects of MnO2 concentration on dielectric properties of barium strontium titanate glass ceramics
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7:1:20:38 Characterization of PLZST-PMW dielectric ceramics
DOI:10.1016/j.materresbull.2014.08.031 JN:MATERIALS RESEARCH BULLETIN PY:2014 TC:0 AU: Wu, Wenfen;Zhang, Yong;Zhang, Qian;Wang, Xiangrong;Song, Xiaozhen;
7:1:20:39 On the germanium-oxygen coordination number in lead germanate glasses
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7:1:20:40 Electrical properties and structure of lead-borate glass containing iron ions
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7:1:21:1 Charge migration in Pb(Zr,Ti)O-3 ceramics and its relation to ageing, hardening, and softening
DOI:10.1063/1.3284954 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:35 AU: Morozov, M. I.;Damjanovic, D.;
7:1:21:2 Position of defects with respect to domain walls in Fe3+-doped Pb[Zr0.52Ti0.48]O-3 piezoelectric ceramics
DOI:10.1063/1.3555465 JN:APPLIED PHYSICS LETTERS PY:2011 TC:29 AU: Jakes, Peter;Erdem, Emre;Eichel, Ruediger-A.;Jin, Li;Damjanovic, Dragan;
7:1:21:3 Influence of Alkaline and Niobium Excess on Sintering and Microstructure of Sodium-Potassium Niobate (K-0.5 Na-0.5)NbO3
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7:1:21:4 Processing of Manganese-Doped [Bi0.5Na0.5]TiO3 Ferroelectrics: Reduction and Oxidation Reactions During Calcination and Sintering
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7:1:21:5 Defect structure and materials "hardening" in Fe2O3-doped [Bi0.5Na0.5]TiO3 ferroelectrics
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7:1:21:6 Domain wall contributions in Pb(Zr,Ti)O-3 ceramics at morphotropic phase boundary: A study of dielectric dispersion
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7:1:21:7 Interactions of defect complexes and domain walls in CuO-doped ferroelectric (K,Na)NbO3
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7:1:21:8 Achieving Both High d(33) and High Q(m) for the Pb(Zr0.26Sn0.26Ti0.48)(1-x)FexO3-x/2 Ternary System for Use in High-Power Ultrasonic Transducers
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7:1:21:9 CuO-doped NaNbO3 antiferroelectrics: Impact of aliovalent doping and nonstoichiometry on the defect structure and formation of secondary phases
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7:1:21:10 Manganese-doped (1-x)BiScO3-xPbTiO(3) high-temperature ferroelectrics: Defect structure and mechanism of enhanced electric resistivity
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7:1:21:11 Effect of Mn doping on the piezoelectric properties of 0.82Pb(Zr1/2Ti1/2)O-3-0.03Pb(Mn1/3Sb2/3)O-3-0.15Pb(Zn1/3Nb2/3)O-3 ferroelectric ceramics
DOI:10.1016/j.ceramint.2013.11.034 JN:CERAMICS INTERNATIONAL PY:2014 TC:5 AU: Yan, Yangxi;Xu, Yonghao;Feng, Yujun;
7:1:21:12 Defect structure of the mixed ionic-electronic conducting Sr[Ti,Fe]O-x solid-solution system - Change in iron oxidation states and defect complexation
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7:1:21:13 Formation of vacancies and copper substitutionals in potassium sodium niobate under various processing conditions
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7:1:21:14 High-Frequency EPR Analysis of MnO2-Doped [Bi0.5Na0.5]TiO3-BaTiO3 Piezoelectric Ceramics - Manganese Oxidation States and Materials 'Hardening'
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7:1:21:15 Structural dependence of piezoelectric, dielectric and ferroelectric properties of K0.5Na0.5(Nb1-2x/5Cux)O-3 lead-free ceramics with high Q(m)
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7:1:21:16 Formation and switching of defect dipoles in acceptor-doped lead titanate: A kinetic model based on first-principles calculations
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7:1:21:17 Effect of Sn Content on Structure and Properties Near the Morphotropic Phase Boundary in a PbSnO3-PbZrO3-PbTiO3 Ternary System
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7:1:21:18 Effect of MnO2 Addition on the Electrical Properties of PNZST Ceramics
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7:1:21:19 Influence of the A/B nonstoichiometry, composition modifiers, and preparation methods on properties of Li- and Ta-modified (K,Na)NbO3 ceramics
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7:1:21:20 Sintering and microstructure of potassium niobate ceramics with stoichiometric composition and with potassium- or niobium excess
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7:1:21:21 Interaction of Modified (K,Na)NbO3 Ceramics with Ag-Containing Electrodes
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7:1:21:22 Switching of a substitutional-iron/oxygen-vacancy defect complex in ferroelectric PbTiO3 from first principles
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7:1:21:23 Ab initio and atomistic study of ferroelectricity in copper-doped potassium niobate
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7:1:21:24 Influence of reducing atmosphere on the defect chemistry of lead lanthanum zirconate titanate (8/65/35)
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7:1:21:25 Influence of co-dopants average valence on microstructural and electromechanical properties of lead titanate ceramics
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7:1:21:26 Structure and electrical properties of (1-x)(0.1BiYbO(3)-0.9PbTiO(3))-xPb (Zn1/3Nb2/3)O-3 high-temperature ternary piezoelectric ceramics
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7:1:21:27 The influence of different niobium pentoxide precursors on the solid-state synthesis of potassium sodium niobate
DOI:10.1016/j.jeurceramsoc.2013.07.006 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:2 AU: Hrescak, Jitka;Bencan, Andreja;Rojac, Tadej;Malic, Barbara;
7:1:22:1 Interplay between static and dynamic polar correlations in relaxor Pb(Mg1/3Nb2/3)O-3
DOI:10.1103/PhysRevB.81.144127 JN:PHYSICAL REVIEW B PY:2010 TC:23 AU: Stock, C.;Van Eijck, L.;Fouquet, P.;Maccarini, M.;Gehring, P. M.;Xu, Guangyong;Luo, H.;Zhao, X.;Li, J. -F.;Viehland, D.;
7:1:22:2 Condensation of the atomic relaxation vibrations in lead-magnesium-niobate at T=T*
DOI:10.1063/1.4821772 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Prosandeev, Sergey;Raevski, Igor P.;Malitskaya, Maria A.;Raevskaya, Svetlana I.;Chen, Haydn;Chou, Chen-Chia;Dkhil, Brahim;
7:1:22:3 Soft Mode Doublet in PbMg1/3Nb2/3O3 Relaxor Investigated with Hyper-Raman Scattering
DOI:10.1103/PhysRevLett.105.017601 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:23 AU: Al-Zein, A.;Hlinka, J.;Rouquette, J.;Hehlen, B.;
7:1:22:4 Polar nanoregions and diffuse scattering in the relaxor ferroelectric PbMg1/3Nb2/3O3
DOI:10.1103/PhysRevB.85.224109 JN:PHYSICAL REVIEW B PY:2012 TC:14 AU: Pasciak, M.;Welberry, T. R.;Kulda, J.;Kempa, M.;Hlinka, J.;
7:1:22:5 Origin of diffuse scattering in relaxor ferroelectrics
DOI:10.1103/PhysRevB.81.144102 JN:PHYSICAL REVIEW B PY:2010 TC:22 AU: Ganesh, P.;Cockayne, E.;Ahart, M.;Cohen, R. E.;Burton, B.;Hemley, Russell J.;Ren, Yang;Yang, Wenge;Ye, Z. -G.;
7:1:22:6 Development of nanoscale polarization fluctuations in relaxor-based (1-x)Pb(Zn1/3Nb2/3)O-3-xPbTiO(3) ferroelectrics studied by Brillouin scattering
DOI:10.1103/PhysRevB.87.014101 JN:PHYSICAL REVIEW B PY:2013 TC:6 AU: Tsukada, Shinya;Hidaka, Yuki;Kojima, Seiji;Bokov, Alexei A.;Ye, Zuo-Guang;
7:1:22:7 Anisotropic Local Correlations and Dynamics in a Relaxor Ferroelectric
DOI:10.1103/PhysRevLett.110.147602 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:15 AU: Takenaka, Hiroyuki;Grinberg, Ilya;Rappe, Andrew M.;
7:1:22:8 Two-component model of the neutron diffuse scattering in the relaxor ferroelectric PZN-4.5% PT
DOI:10.1103/PhysRevB.82.134124 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Xu, Zhijun;Wen, Jinsheng;Xu, Guangyong;Stock, C.;Gardner, J. S.;Gehring, P. M.;
7:1:22:9 Dynamics of Nanoscale Polarization Fluctuations in a Uniaxial Relaxor
DOI:10.1103/PhysRevLett.113.167601 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Ondrejkovic, P.;Kempa, M.;Kulda, J.;Frick, B.;Appel, M.;Combet, J.;Dec, J.;Lukasiewicz, T.;Hlinka, J.;
7:1:22:10 Damped soft phonons and diffuse scattering in (Bi1/2Na1/2)TiO3
DOI:10.1103/PhysRevB.87.064109 JN:PHYSICAL REVIEW B PY:2013 TC:7 AU: Matsuura, M.;Iida, H.;Hirota, K.;Ohwada, K.;Noguchi, Y.;Miyayama, M.;
7:1:22:11 Evidence for anisotropic polar nanoregions in relaxor Pb(Mg1/3Nb2/3)O-3: A neutron study of the elastic constants and anomalous TA phonon damping in PMN
DOI:10.1103/PhysRevB.86.104108 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Stock, C.;Gehring, P. M.;Hiraka, H.;Swainson, I.;Xu, Guangyong;Ye, Z. -G.;Luo, H.;Li, J. -F.;Viehland, D.;
7:1:22:12 Simultaneous softening of acoustic and optical modes in cubic PbTiO3
DOI:10.1103/PhysRevB.86.134306 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Tomeno, Izumi;Fernandez-Baca, Jaime A.;Marty, Karol J.;Oka, Kunihiko;Tsunoda, Yorihiko;
7:1:22:13 Soft mode in cubic PbTiO3 by hyper-Raman scattering
DOI:10.1103/PhysRevB.87.064101 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Hlinka, J.;Hehlen, B.;Kania, A.;Gregora, I.;
7:1:22:14 The intermediate temperature T* revealed in relaxor polymers
DOI:10.1063/1.4881268 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Liu, B. L.;Tian, B. B.;Geiger, S.;Hu, Z. G.;Zhao, X. L.;Zou, Y. H.;Wang, J. L.;Sun, J. L.;Sun, S.;Dkhil, B.;Meng, X. J.;Chu, J. H.;
7:1:22:15 Dynamical mechanism of phase transitions in A-site ferroelectric relaxor (Na1/2Bi1/2) TiO3
DOI:10.1103/PhysRevB.90.134104 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Deng, Guochu;Danilkin, Sergey;Zhang, Haiwu;Imperia, Paolo;Li, Xiaobing;Zhao, Xiangyong;Luo, Haosu;
7:1:22:16 Neutron diffuse scattering of (1-x)(Na0.5Bi0.5)TiO3-xBaTiO(3) relaxor ferroelectric single crystals
DOI:10.1016/j.scriptamat.2014.04.011 JN:SCRIPTA MATERIALIA PY:2014 TC:2 AU: Zhang, Haiwu;Deng, Guochu;Studer, Andrew J.;Li, Xiaobing;Zhao, Xiangyong;Luo, Haosu;
7:1:22:17 Contribution of intermediate submicrometer structures to physical properties near T-c in Pb(Zn1/3Nb2/3)O-3-9%PbTiO3
DOI:10.1103/PhysRevB.83.224115 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Ohwada, Kenji;Mizuki, Jun'ichiro;Namikawa, Kazumichi;Matsushita, Mitsuyoshi;Shimomura, Susumu;Nakao, Hironori;Hirota, Kazuma;
7:1:22:18 Elastic softening and polarization memory in PZN-PT relaxor ferroelectrics
DOI:10.1103/PhysRevB.84.174124 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Farnsworth, S. M.;Kisi, E. H.;Carpenter, M. A.;
7:1:22:19 Heterophase fluctuations near T-c in the relaxor ferroelectrics (1-x)Pb(Zn1/3Nb2/3)O-3-xPbTiO(3) (x=0.09) studied by x-ray diffuse scattering and coherent x-ray scattering
DOI:10.1103/PhysRevB.90.104109 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Ohwada, Kenji;Mizuki, Jun'ichiro;Matsushita, Mitsuyoshi;Namikawa, Kazumichi;
7:1:22:20 Soft-mode dynamics in micrograin and nanograin ceramics of strontium titanate observed by hyper-Raman scattering
DOI:10.1103/PhysRevB.87.014303 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Hehlen, B.;Al-Zein, A.;Bogicevic, C.;Gemeiner, P.;Kiat, J-M.;
7:1:22:21 Successive Pressure-Induced Structural Transitions in Relaxor Lead Indium Niobate
DOI:10.1080/00150193.2014.932606 JN:FERROELECTRICS PY:2014 TC:0 AU: Ahart, Muhtar;Kojima, Seiji;Yasuda, Naohiko;Hemley, Russell J.;
7:1:22:22 Hyper-Raman scattering: New prospects for the description of the local structure of complex perovskites
DOI:10.1063/1.3599863 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Al-Zein, A.;Hlinka, J.;Rouquette, J.;Kania, A.;Hehlen, B.;
7:1:22:23 Anelastic relaxor behavior of Pb(Mg1/3Nb2/3)O-3
DOI:10.1063/1.4818665 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Ursic, Hana;Damjanovic, Dragan;
7:1:22:24 Diffuse scattering anisotropy and inhomogeneous lattice deformations in the lead magnoniobate relaxor PMN above the Burns temperature
DOI:10.1103/PhysRevB.85.094108 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Burkovsky, R. G.;Filimonov, A. V.;Rudskoy, A. I.;Hirota, K.;Matsuura, M.;Vakhrushev, S. B.;
7:1:22:25 Anharmonic atomic vibrations in the relaxor ferroelectric Pb(Mg1/3Nb2/3)O-3 under pressure
DOI:10.1103/PhysRevB.86.174108 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Yamanaka, Takamitsu;Ahart, Muhtar;Nakamoto, Yuki;Ye, Zuo-Guang;Gramsch, Stephen A.;Mao, Ho-kwang;Hemley, Russell J.;
7:1:22:26 Anisotropic phonon coupling in the relaxor ferroelectric (Na1/2Bi1/2)TiO3 near its high-temperature phase transition
DOI:10.1103/PhysRevB.90.054118 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Cai, Ling;Toulouse, Jean;Luo, Haosu;Tian, Wei;
7:1:22:27 Thermal and Electric Field Hysteresis Effects in Structuraly Disordered Ferroelectric Materials
DOI:10.1080/00150193.2010.505542 JN:FERROELECTRICS PY:2010 TC:3 AU: Kutnjak, Z.;
7:1:22:28 Fractal Dynamics in a Single Crystal of a Relaxor Ferroelectric
DOI:10.1103/PhysRevLett.109.197601 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:2 AU: Koreeda, Akitoshi;Taniguchi, Hiroki;Saikan, Seishiro;Itoh, Mitsuru;
7:1:22:29 Pressure dependence of the monoclinic phase in (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions
DOI:10.1103/PhysRevB.86.224111 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;
7:1:22:30 Freezing of the local dynamics in the relaxor ferroelectric [Pb(Zn1/3Nb2/3)O-3](0.955)[PbTiO3](0.045)
DOI:10.1103/PhysRevB.86.144106 JN:PHYSICAL REVIEW B PY:2012 TC:0 AU: Xu, Zhijun;Wen, Jinsheng;Mamontov, E.;Stock, C.;Gehring, P. M.;Xu, Guangyong;
7:1:22:31 Origins of large enhancement in electromechanical coupling for nonpolar directions in ferroelectric BaTiO3
DOI:10.1103/PhysRevB.88.180101 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Pramanick, A.;Diallo, S. O.;Delaire, O.;Calder, S.;Christianson, A. D.;Wang, X-L;Fernandez-Baca, J. A.;
7:1:22:32 Paraelectric and ferroelectric states in a model for relaxor ferroelectrics
DOI:10.1103/PhysRevB.88.134106 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Guzman-Verri, G. G.;Littlewood, P. B.;Varma, C. M.;
7:1:22:33 Acute and obtuse rhombohedrons in the local structures of relaxor ferroelectric Pb(Mg1/3Nb2/3)O-3
DOI:10.1103/PhysRevB.89.140103 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Hu, Wen;Hayashi, Kouichi;Ohwada, Kenji;Chen, Jun;Happo, Naohisa;Hosokawa, Shinya;Takahasi, Masamitu;Bokov, Alexei A.;Ye, Zuo-Guang;
7:1:22:34 Computational Studies of Lead-based Relaxor Ferroelectrics
DOI:10.1080/00150193.2014.948341 JN:FERROELECTRICS PY:2014 TC:0 AU: Takenaka, Hiroyuki;Grinberg, Ilya;Shin, Young-Han;Rappe, Andrew M.;
7:1:22:35 Thermal Response at the Dipolar-Glass to Ferroelectric Transition in Structuraly Disordered Ferroelectric Materials
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7:1:22:36 Low Energy Phonon Excitations in Relaxor Ferroelectric (1-x)Pb(Zn1/3Nb2/3)O-3-xPbTiO(3)
DOI:10.1080/10584587.2013.778745 JN:INTEGRATED FERROELECTRICS PY:2013 TC:1 AU: Wongratanaphisan, D.;Toulouse, J.;
7:1:22:37 Inelastic and Quasielastic Neutron Scattering in PbMg1/3Nb2/3O3 Above the Burns Temperature
DOI:10.1080/00150193.2010.505858 JN:FERROELECTRICS PY:2010 TC:1 AU: Burkovsky, R.;Vakhrushev, S. B.;Shapiro, S. M.;Ivanov, A.;Hirota, K.;Matsuura, M.;
7:1:22:38 Extent and feature of lattice distortions around Ga impurity atoms in InSb single crystal
DOI:10.1103/PhysRevB.87.094104 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Hosokawa, S.;Happo, N.;Ozaki, T.;Ikemoto, H.;Shishido, T.;Hayashi, K.;
7:1:22:39 Investigation of a relationship between dielectric peak diffuseness and elastic modulus variations in a ferroelectric relaxor
DOI:10.1063/1.4869200 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Sarasua, L. G.;Moreno, A.;Favre, S.;Eiras, J. A.;
7:1:22:40 Power-Law Quasielastic Light Scattering Observed in Relaxor Pb(Mg1/3Nb2/3)O-3
DOI:10.1080/00150193.2011.577365 JN:FERROELECTRICS PY:2011 TC:1 AU: Koreeda, Akitoshi;Saikan, Seishiro;Taniguchi, Hiroki;Itoh, Mitsuru;
7:1:22:41 Low Energy Phonon Excitations in Relaxor Ferroelectric (1-x) Pb(Zn1/3Nb2/3)O3-xPbTiO3 (vol 141, pg 72, 2013)
DOI:10.1080/10584587.2014.940250 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Wongratanaphisan, D.;Toulouse, J.;
7:1:23:1 Advanced materials for solid-state refrigeration
DOI:10.1039/c3ta01289a JN:JOURNAL OF MATERIALS CHEMISTRY A PY:2013 TC:49 AU: Manosa, Lluis;Planes, Antoni;Acet, Mehmet;
7:1:23:2 Caloric Effects in Ferroic Materials: New Concepts for Cooling
DOI:10.1002/adem.201100178 JN:ADVANCED ENGINEERING MATERIALS PY:2012 TC:47 AU: Faehler, Sebastian;Roessler, Ulrich K.;Kastner, Oliver;Eckert, Juergen;Eggeler, Gunther;Emmerich, Heike;Entel, Peter;Mueller, Stefan;Quandt, Eckhard;Albe, Karsten;
7:1:23:3 Large temperature span and giant refrigerant capacity in elastocaloric Cu-Zn-Al shape memory alloys
DOI:10.1063/1.4832339 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Manosa, Lluis;Jarque-Farnos, Segio;Vives, Eduard;Planes, Antoni;
7:1:23:4 Demonstration of high efficiency elastocaloric cooling with large Delta T using NiTi wires
DOI:10.1063/1.4746257 JN:APPLIED PHYSICS LETTERS PY:2012 TC:18 AU: Cui, Jun;Wu, Yiming;Muehlbauer, Jan;Hwang, Yunho;Radermacher, Reinhard;Fackler, Sean;Wuttig, Manfred;Takeuchi, Ichiro;
7:1:23:5 Large entropy change associated with the elastocaloric effect in polycrystalline Ni-Mn-Sb-Co magnetic shape memory alloys
DOI:10.1063/1.4904419 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Millan-Solsona, Ruben;Stern-Taulats, Enric;Vives, Eduard;Planes, Antoni;Sharma, Jyoti;Nayak, Ajaya K.;Suresh, K. G.;Manosa, Lluis;
7:1:23:6 Caloric effects induced by magnetic and mechanical fields in a Ni50Mn25-xGa25Cox magnetic shape memory alloy
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7:1:23:7 High cyclic stability of the elastocaloric effect in sputtered TiNiCu shape memory films
DOI:10.1063/1.4748307 JN:APPLIED PHYSICS LETTERS PY:2012 TC:14 AU: Bechtold, C.;Chluba, C.;De Miranda, R. Lima;Quandt, E.;
7:1:23:8 Elastocaloric effect in a textured polycrystalline Ni-Mn-In-Co metamagnetic shape memory alloy
DOI:10.1063/1.4899147 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Lu, Binfeng;Xiao, Fei;Yan, Aru;Liu, Jian;
7:1:23:9 Barocaloric effect in the magnetocaloric prototype Gd5Si2Ge2
DOI:10.1063/1.4745920 JN:APPLIED PHYSICS LETTERS PY:2012 TC:15 AU: Yuce, Suheyla;Barrio, Maria;Emre, Bans;Stern-Taulats, Enric;Planes, Antoni;Tamarit, Josep-Lluis;Mudryk, Yaroslav;Gschneidner, Karl A., Jr.;Pecharsky, Vitalij K.;Manosa, Lluis;
7:1:23:10 Stress- and magnetic field-induced entropy changes in Fe-doped Ni-Mn-Ga shape-memory alloys
DOI:10.1063/1.3309755 JN:APPLIED PHYSICS LETTERS PY:2010 TC:13 AU: Soto-Parra, D. E.;Vives, Eduard;Gonzalez-Alonso, David;Manosa, Lluis;Planes, Antoni;Romero, Ricardo;Matutes-Aquino, J. A.;Ochoa-Gamboa, R. A.;Flores-Zuniga, H.;
7:1:23:11 Significant elastocaloric effect in a Fe-31.2Pd (at. %) single crystal
DOI:10.1063/1.4803168 JN:APPLIED PHYSICS LETTERS PY:2013 TC:11 AU: Xiao, Fei;Fukuda, Takashi;Kakeshita, Tomoyuki;
7:1:23:12 Evolution of temperature profiles in TiNi films for elastocaloric cooling
DOI:10.1016/j.actamat.2014.08.006 JN:ACTA MATERIALIA PY:2014 TC:8 AU: Ossmer, H.;Lambrecht, F.;Gueltig, M.;Chluba, C.;Quandt, E.;Kohl, M.;
7:1:23:13 Temperature contour maps at the strain-induced martensitic transition of a Cu-Zn-Al shape-memory single crystal
DOI:10.1063/1.3533403 JN:APPLIED PHYSICS LETTERS PY:2011 TC:6 AU: Vives, Eduard;Burrows, Susan;Edwards, Rachel S.;Dixon, Steve;Manosa, Lluis;Planes, Antoni;Romero, Ricardo;
7:1:23:14 Thermodynamics of multicaloric effects in multiferroics
DOI:10.1080/14786435.2014.899438 JN:PHILOSOPHICAL MAGAZINE PY:2014 TC:5 AU: Planes, A.;Castan, T.;Saxena, A.;
7:1:23:15 Elastocaloric and magnetocaloric effects in Ni-Mn-Sn(Cu) shape-memory alloy
DOI:10.1063/1.4790140 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:9 AU: Castillo-Villa, Pedro O.;Manosa, Lluis;Planes, Antoni;Soto-Parra, Daniel E.;Sanchez-Llamazares, J. L.;Flores-Zuniga, H.;Frontera, Carlos;
7:1:23:16 Shape Memory Response in Ni40Co10Mn33Al17 Polycrystalline Alloy
DOI:10.2320/matertrans.MBW200903 JN:MATERIALS TRANSACTIONS PY:2010 TC:4 AU: Ito, Wataru;Basaran, Burak;Umetsu, Rie Y.;Karaman, Ibrahim;Kainuma, Ryosuke;Ishida, Kiyohito;
7:1:23:17 Effects of Ti content on microstructure and shape memory behavior of TixNi(84.5-x)Cu15.5 (x=44.6-55.4) thin films
DOI:10.1016/j.actamat.2014.02.006 JN:ACTA MATERIALIA PY:2014 TC:3 AU: Ishida, Akira;Sato, Mono;Gao, Zhiyong;
7:1:23:18 Caloric effects and phase transitions in ferromagnetic-ferroelectric composites xLa(0.7)Pb(0.3)MnO(3)-(1-x)PbTiO3
DOI:10.1557/jmr.2013.360 JN:JOURNAL OF MATERIALS RESEARCH PY:2013 TC:3 AU: Mikhaleva, Ekaterina;Flerov, Igor;Kartashev, Andrey;Gorev, Mikhail;Cherepakhin, Alexander;Sablina, Klara;Mikhashenok, Nataly;Volkov, Nikita;Shabanov, Alexander;
7:1:23:19 On the physical nature of high reversible strain in Fe-Pd single crystals exhibiting lattice softening
DOI:10.1016/j.actamat.2013.03.025 JN:ACTA MATERIALIA PY:2013 TC:4 AU: Xiao, Fei;Fukuda, Takashi;Kakeshita, Tomoyuki;
7:1:23:20 Micropatterned Freestanding Superelastic TiNi Films
DOI:10.1002/adem.201200197 JN:ADVANCED ENGINEERING MATERIALS PY:2013 TC:4 AU: de Miranda, Rodrigo Lima;Zamponi, Christiane;Quandt, Eckhard;
7:1:23:21 Formation of B19 ' martensite in annealed Ti44.6Ni40.1Cu15.3 thin films and their shape recovery characteristic
DOI:10.1016/j.jallcom.2010.06.020 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:3 AU: Gao, Z. Y.;Sato, M.;Ishida, A.;
7:1:24:1 Effect of 90 degrees Domain Walls on the Low-Field Permittivity of PbZr0.2Ti0.8O3 Thin Films
DOI:10.1103/PhysRevLett.108.167601 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:13 AU: Karthik, J.;Damodaran, A. R.;Martin, L. W.;
7:1:24:2 Effect of 90 degrees Domain Walls and Thermal Expansion Mismatch on the Pyroelectric Properties of Epitaxial PbZr0.2Ti0.8O3 Thin Films
DOI:10.1103/PhysRevLett.109.257602 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:13 AU: Karthik, J.;Agar, J. C.;Damodaran, A. R.;Martin, L. W.;
7:1:24:3 Epitaxial Ferroelectric Heterostructures Fabricated by Selective Area Epitaxy of SrRuO3 Using an MgO Mask
DOI:10.1002/adma.201104697 JN:ADVANCED MATERIALS PY:2012 TC:21 AU: Karthik, J.;Damodaran, Anoop R.;Martin, Lane W.;
7:1:24:4 Pyroelectric properties of polydomain epitaxial Pb(Zr1-x, Ti-x)O-3 thin films
DOI:10.1103/PhysRevB.84.024102 JN:PHYSICAL REVIEW B PY:2011 TC:12 AU: Karthik, J.;Martin, L. W.;
7:1:24:5 Reduction of the electrocaloric entropy change of ferroelectric PbZr1-xTixO3 epitaxial layers due to an elastocaloric effect
DOI:10.1103/PhysRevB.90.094116 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Trong Tong;Karthik, J.;Mangalam, R. V. K.;Martin, Lane W.;Cahill, David G.;
7:1:24:6 Improved Pyroelectric Figures of Merit in Compositionally Graded PbZr1-x,TixO3 Thin Films
DOI:10.1021/am404228c JN:ACS APPLIED MATERIALS & INTERFACES PY:2013 TC:9 AU: Mangalam, R. V. K.;Agar, J. C.;Damodaran, A. R.;Karthik, J.;Martin, L. W.;
7:1:24:7 Domain evolution of tetragonal Pb(ZrxTi1-x) O-3 piezoelectric thin films on SrTiO3 (100) surfaces: combined effects of misfit strain and Zr/Ti ratio
DOI:10.1039/c4tc00643g JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2014 TC:2 AU: Yu, Qi;Li, Jing-Feng;Zhu, Fang-Yuan;Li, Jiangyu;
7:1:24:8 Large built-in electric fields due to flexoelectricity in compositionally graded ferroelectric thin films
DOI:10.1103/PhysRevB.87.024111 JN:PHYSICAL REVIEW B PY:2013 TC:7 AU: Karthik, J.;Mangalam, R. V. K.;Agar, J. C.;Martin, L. W.;
7:1:24:9 Understanding order in compositionally graded ferroelectrics: Flexoelectricity, gradient, and depolarization field effects
DOI:10.1103/PhysRevB.89.224101 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Zhang, J.;Xu, R.;Damodaran, A. R.;Chen, Z. -H.;Martin, L. W.;
7:1:24:10 Unexpected Crystal and Domain Structures and Properties in Compositionally Graded PbZr1-xTixO3 Thin Films
DOI:10.1002/adma.201204240 JN:ADVANCED MATERIALS PY:2013 TC:12 AU: Mangalam, R. V. K.;Karthik, J.;Damodaran, Anoop R.;Agar, Joshua C.;Martin, Lane W.;
7:1:24:11 Field emission from nanometer-scale tips of crystalline PbZrxTi1-xO3
DOI:10.1116/1.4793219 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2013 TC:3 AU: Fletcher, Patrick C.;Mangalam, Vengadesh Kumara R.;Martin, Lane W.;King, William P.;
7:1:24:12 Secondary effects in wide frequency range measurements of the pyroelectric coefficient of Ba0.6Sr0.4TiO3 and PbZr0.2Ti0.8O3 epitaxial layers
DOI:10.1103/PhysRevB.90.155423 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Trong Tong;Karthik, J.;Martin, Lane W.;Cahill, David G.;
7:1:24:13 Giant pyroelectric coefficient determined from the frequency dependence of the pyroelectric signal generated by epitaxial Pb(Zr0.2Ti0.8)O-3 layers grown on single crystal SrTiO3 substrates
DOI:10.1063/1.4838035 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Botea, M.;Iuga, A.;Pintilie, L.;
7:1:24:14 High-frequency thermal-electrical cycles for pyroelectric energy conversion
DOI:10.1063/1.4901993 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Bhatia, Bikram;Damodaran, Anoop R.;Cho, Hanna;Martin, Lane W.;King, William P.;
7:1:24:15 Scale Effects of Low-Dimensional Relaxor Ferroelectric Single Crystals and Their Application in Novel Pyroelectric Infrared Detectors
DOI:10.1002/adma.201304546 JN:ADVANCED MATERIALS PY:2014 TC:3 AU: Li, Long;Zhao, Xiangyong;Li, Xiaobing;Ren, Bo;Xu, Qing;Liang, Zhu;Di, Wenning;Yang, Linrong;Luo, Haosu;Shao, Xiumei;Fang, Jiaxiong;Neumann, Norbert;Jiao, Jie;
7:1:24:16 Pyroelectric electron emission from nanometer-thick films of PbZrxTi1-xO3
DOI:10.1063/1.4806973 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Fletcher, Patrick C.;Mangalam, Vengadesh Kumara R.;Martin, Lane W.;King, William P.;
7:1:24:17 Pyroelectric current measurements on PbZr0.2Ti0.8O3 epitaxial layers
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7:1:24:18 Local 90 degrees switching in Pb(Zr0.2Ti0.8)O-3 thin film: Phase-field modeling
DOI:10.1016/j.actamat.2014.03.071 JN:ACTA MATERIALIA PY:2014 TC:0 AU: Hong, Zijian;Britson, Jason;Hu, Jia-Mian;Chen, Long-Qing;
7:1:24:19 Enhancement of pyroelectric signal by continuous ultraviolet illumination of epitaxial Pb(Zr0.2Ti0.8)O-3 films
DOI:10.1063/1.4896855 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Pintilie, L.;Botea, M.;Iuga, A.;
7:1:24:20 Mobile Ferroelastic Domain Walls in Nanocrystalline PZT Films: the Direct Piezoelectric Effect
DOI:10.1002/adfm.201100445 JN:ADVANCED FUNCTIONAL MATERIALS PY:2011 TC:7 AU: Zednik, Ricardo J.;Varatharajan, Anbusathaiah;Oliver, Mark;Valanoor, Nagarajan;McIntyre, Paul C.;
7:1:24:21 Stress impact on dielectric properties of Bi3.15Nd0.85Ti3O12 films
DOI:10.1063/1.3302460 JN:APPLIED PHYSICS LETTERS PY:2010 TC:2 AU: Liu, Yunfei;Kan, Yi;Lu, Xiaomei;Cai, Wei;Wu, Xiaobo;Wu, Xiumei;Wang, Xiaofei;Bo, HuiFeng;Huang, Fengzhen;Zhu, Jinsong;
7:1:24:22 Corrected field enhancement factor for the floating sphere model of carbon nanotube emitter
DOI:10.1063/1.3466992 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Pogorelov, Evgeny G.;Chang, Yia-Chung;Zhbanov, Alexander I.;Lee, Yong-Gu;
7:1:24:23 High-temperature piezoresponse force microscopy
DOI:10.1063/1.3652771 JN:APPLIED PHYSICS LETTERS PY:2011 TC:6 AU: Bhatia, B.;Karthik, J.;Cahill, D. G.;Martin, L. W.;King, W. P.;
7:1:25:1 Piezoelectric properties and temperature stabilities of Mn- and Cu-modified BiFeO3-BaTiO3 high temperature ceramics
DOI:10.1016/j.jeurceramsoc.2012.11.019 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:32 AU: Yang, Huabin;Zhou, Changrong;Liu, Xinyu;Zhou, Qin;Chen, Guohua;Li, Weizhou;Wang, Hua;
7:1:25:2 Temperature Dependence of Dielectric/Piezoelectric Properties of (1-x)Bi(Mg1/2Ti1/2)O-3-xPbTiO(3) Ceramics with an MPB Composition
DOI:10.1111/j.1551-2916.2010.03860.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:30 AU: Zhang, Qiang;Li, Zhenrong;Li, Fei;Xu, Zhuo;Yao, Xi;
7:1:25:3 Temperature Dependence of the Piezoelectric Coefficient in BiMeO3-PbTiO3 (Me = Fe, Sc, (Mg1/2Ti1/2)) Ceramics
DOI:10.1111/j.1551-2916.2011.04848.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:24 AU: Leist, Thorsten;Chen, Jun;Jo, Wook;Aulbach, Emil;Suffner, Jens;Roedel, Juergen;
7:1:25:4 Remarkably high-temperature stable piezoelectric properties of Bi(Mg0.5Ti0.5)O-3 modified BiFeO3-BaTiO3 ceramics
DOI:10.1063/1.4736724 JN:APPLIED PHYSICS LETTERS PY:2012 TC:25 AU: Zhou, Changrong;Feteira, Antonio;Shan, Xu;Yang, Huabin;Zhou, Qin;Cheng, Jun;Li, Weizhou;Wang, Hua;
7:1:25:5 Structural, microstructural and electrical properties of BiFeO3-BaTiO3 ceramics with high thermal stability
DOI:10.1016/j.materresbull.2012.09.027 JN:MATERIALS RESEARCH BULLETIN PY:2012 TC:16 AU: Yang, Huabin;Zhou, Changrong;Liu, Xinyu;Zhou, Qin;Chen, Guohua;Wang, Hua;Li, Weizhou;
7:1:25:6 Large piezoelectric properties induced by doping ionic pairs in BaTiO3 ceramics
DOI:10.1016/j.actamat.2014.07.023 JN:ACTA MATERIALIA PY:2014 TC:2 AU: Xu, D.;Li, W. L.;Wang, L. D.;Wang, W.;Cao, W. P.;Fei, W. D.;
7:1:25:7 Dielectric, Ferroelectric, and Piezoelectric Properties of Bi(Ni1/2Ti1/2)O3-Modified BiFeO3-BaTiO3 Ceramics with High Curie Temperature
DOI:10.1111/j.1551-2916.2012.05387.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:17 AU: Zhou, Qin;Zhou, Changrong;Yang, Huabin;Chen, Guohua;Li, Weizhou;Wang, Hua;
7:1:25:8 Effect of Zr4+ substitution on thermal stability and electrical properties of high temperature BiFe0.99Al0.01O3-BaTi1-xZrxO3 ceramics
DOI:10.1016/j.jallcom.2013.03.065 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:6 AU: Cen, Zhenyong;Zhou, Changrong;Cheng, Jun;Zhou, Xiujuan;Li, Weizhou;Yan, Chunle;Feng, Songlin;Liu, Yueqiang;Lao, Daosong;
7:1:25:9 Origin and magnitude of the large piezoelectric response in the lead-free (1-x)BiFeO3-xBaTiO(3) solid solution
DOI:10.1557/jmr.2010.44 JN:JOURNAL OF MATERIALS RESEARCH PY:2011 TC:20 AU: Leontsev, Serhiy O.;Eitel, Richard E.;
7:1:25:10 Doping of BiScO3-PbTiO3 Ceramics for Enhanced Properties
DOI:10.1111/j.1551-2916.2010.03648.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:19 AU: Sehirlioglu, Alp;Sayir, Ali;Dynys, Fred;
7:1:25:11 Bi(Zn1/2Ti1/2)O-3 modified BiFeO3-BaTiO3 lead-free piezoelectric ceramics with high temperature stability
DOI:10.1016/j.ceramint.2013.01.110 JN:CERAMICS INTERNATIONAL PY:2013 TC:5 AU: Shan, Xu;Zhou, Changrong;Cen, Zhenyong;Yang, Huabin;Zhou, Qin;Li, Weizhou;
7:1:25:12 Investigation of Structural and Electrical Properties of B-Site Complex Ion (Mg1/3Nb2/3)(4+)-Modified High-Curie-Temperature BiFeO3-BaTiO3 Ceramics
DOI:10.1007/s11664-013-2952-x JN:JOURNAL OF ELECTRONIC MATERIALS PY:2014 TC:1 AU: Zhou, Xiujuan;Zhou, Changrong;Zhou, Qin;Yang, Huabin;Cen, Zhenyong;Cheng, Jun;Cao, Lei;Fan, Qiaolan;
7:1:25:13 Remarkably High-Temperature Stability of Bi(Fe1-xAlx)O3-BaTiO3 Solid Solution with Near-Zero Temperature Coefficient of Piezoelectric Properties
DOI:10.1111/jace.12326 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:4 AU: Cen, Zhenyong;Zhou, Changrong;Yang, Huabin;Zhou, Qin;Li, Weizhou;Yan, Chunle;Cao, Lei;Song, Jun;Peng, Ling;
7:1:25:14 Piezoelectric properties of Fe2O3 doped BiYbO3-Pb(Zr,Ti)O-3 high Curie temperature ceramics
DOI:10.1016/j.ceramint.2013.10.043 JN:CERAMICS INTERNATIONAL PY:2014 TC:5 AU: Shi, Liang;Zhang, Boping;Liao, Qingwei;Zhu, Lifeng;Zhao, Lei;Zhang, Daibing;Guo, Dong;
7:1:25:15 Dielectric, ferroelectric and piezoelectric properties of La-substituted BiFeO3-BaTiO3 ceramics
DOI:10.1016/j.ceramint.2012.11.012 JN:CERAMICS INTERNATIONAL PY:2013 TC:4 AU: Zhou, Changrong;Yang, Huabin;Zhou, Qin;Cen, Zhenyong;Li, Weizhou;Yuan, Changlai;Wang, Hua;
7:1:25:16 Enhanced thermal stability of lead-free high temperature 0.75BiFeO(3)-0.25BaTiO(3) ceramics with excess Bi content
DOI:10.1016/j.jallcom.2013.11.169 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Chen, Jianguo;Cheng, Jinrong;
7:1:25:17 Marked increase in Curie temperature upon annealing of ferroelectric KF-substituted barium titanate
DOI:10.1016/j.scriptamat.2010.10.007 JN:SCRIPTA MATERIALIA PY:2011 TC:3 AU: Tsukada, Shinya;Akishige, Yukikuni;
7:1:25:18 Effects of sintering atmosphere on microstructure and electrical properties of BiScO3-PbTiO3 high-temperature piezoceramics
DOI:10.1016/j.jallcom.2012.02.092 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:4 AU: Cai, Zeyong;Wang, Genshui;Yu, Gang;Huang, Zhen;Cao, Fei;Dong, Xianlin;
7:1:25:19 Ar-Annealing Effects on T-C in KF-Substituted Barium Titanate
DOI:10.1080/00150193.2011.577341 JN:FERROELECTRICS PY:2011 TC:1 AU: Tsukada, Shinya;Hiraki, Yuuta;Hada, Akinori;Akishige, Yukikuni;
7:1:25:20 Enhancing the properties of high-temperature BiScO3-PbTiO3 piezoceramics via Bi addition
DOI:10.1016/j.materresbull.2013.04.060 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:2 AU: Shang, Xunzhong;Liu, Heng;Guo, Jinming;Jiang, Dan;Zhou, Taosheng;He, Yunbin;
7:1:25:21 Phase transition in (1-x)Bi(Mg1/2Ti1/2)O-3-xPbTiO(3) ceramics
DOI:10.1016/j.matlet.2011.06.078 JN:MATERIALS LETTERS PY:2011 TC:1 AU: Zhang, Qiang;Li, Zhenrong;Xu, Zhuo;
7:1:25:22 Synthesis, characterization and electrical properties of sol-gel derived 0.63Bi(Mg1/2Ti1/2)O-3-0.37PbTiO(3) high-T-c piezoelectric ceramics
DOI:10.1016/j.matchemphys.2012.04.017 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:0 AU: Ji, Xun;Zuo, Ruzhong;Qi, Shishun;Liu, Longdong;
7:1:26:1 Processing Technologies for High-Permittivity Thin Films in Capacitor Applications
DOI:10.1111/j.1551-2916.2010.04211.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:42 AU: Brennecka, Geoff L.;Ihlefeld, Jon F.;Maria, Jon-Paul;Tuttle, Bruce A.;Clem, Paul G.;
7:1:26:2 Chemically Homogeneous Complex Oxide Thin Films Via Improved Substrate Metallization
DOI:10.1002/adfm.201103077 JN:ADVANCED FUNCTIONAL MATERIALS PY:2012 TC:26 AU: Shelton, Christopher T.;Kotula, Paul G.;Brennecka, Geoff L.;Lam, Peter G.;Meyer, Kelsey E.;Maria, Jon-Paul;Gibbons, Brady J.;Ihlefeld, Jon F.;
7:1:26:3 Thin-film piezoelectric MEMS
DOI:10.1557/mrs.2012.273 JN:MRS BULLETIN PY:2012 TC:29 AU: Eom, Chang-Beom;Trolier-McKinstry, Susan;
7:1:26:4 Permittivity scaling in Ba1-xSrxTiO3 thin films and ceramics
DOI:10.1063/1.3514127 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:17 AU: Ayguen, Seymen M.;Ihlefeld, Jon F.;Borland, William J.;Maria, Jon-Paul;
7:1:26:5 Quantifying Compositional Homogeneity in Pb(Zr,Ti)O-3 Using Atom Probe Tomography
DOI:10.1111/jace.13135 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:1 AU: Kirchhofer, Rita;Diercks, David R.;Gorman, Brian P.;Ihlefeld, Jon F.;Kotula, Paul G.;Shelton, Christopher T.;Brennecka, Geoff L.;
7:1:26:6 In situ x-ray diffraction of solution-derived ferroelectric thin films for quantitative phase and texture evolution measurement
DOI:10.1063/1.4766387 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:8 AU: Nittala, Krishna;Mhin, Sungwook;Jones, Jacob L.;Robinson, Douglas S.;Ihlefeld, Jon F.;Brennecka, Geoff L.;
7:1:26:7 Dielectric and ferroelectric properties of (Bi0.5Na0.5)TiO3-(Bi0.5K0.5) TiO3-BaTiO3 thin films deposited via chemical solution deposition
DOI:10.1016/j.matlet.2013.04.096 JN:MATERIALS LETTERS PY:2013 TC:6 AU: Jeon, Yu Hong;Patterson, Eric A.;Cann, David P.;Gibbons, Brady J.;
7:1:26:8 Optimization of PbTiO3 seed layers and Pt metallization for PZT-based piezoMEMS actuators
DOI:10.1557/jmr.2013.172 JN:JOURNAL OF MATERIALS RESEARCH PY:2013 TC:10 AU: Sanchez, Luz M.;Potrepka, Daniel M.;Fox, Glen R.;Takeuchi, Ichiro;Wang, Ke;Bendersky, Leonid A.;Polcawich, Ronald G.;
7:1:26:9 Spectral phonon scattering effects on the thermal conductivity of nano-grained barium titanate
DOI:10.1063/1.4893920 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Donovan, Brian F.;Foley, Brian M.;Ihlefeld, Jon F.;Maria, Jon-Paul;Hopkins, Patrick E.;
7:1:26:10 Property engineering in BaTiO3 films by stoichiometry control
DOI:10.1557/JMR.2010.0151 JN:JOURNAL OF MATERIALS RESEARCH PY:2010 TC:9 AU: Ihlefeld, J. F.;Daniels, P. R.;Aygun, S. M.;Borland, W. J.;Maria, J-P.;
7:1:26:11 Ultra-high tunability in polycrystalline Ba1-xSrxTiO3 thin films
DOI:10.1063/1.4893615 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Harris, D. T.;Lam, P. G.;Burch, M. J.;Li, J.;Rogers, B. J.;Dickey, E. C.;Maria, J. -P.;
7:1:26:12 Phase and texture evolution in solution deposited lead zirconate titanate thin films: Formation and role of the Pt3Pb intermetallic phase
DOI:10.1063/1.4811687 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Nittala, Krishna;Mhin, Sungwook;Dunnigan, Katherine M.;Robinson, Douglas S.;Ihlefeld, Jon F.;Kotula, Paul G.;Brennecka, Geoff L.;Jones, Jacob L.;
7:1:26:13 Dysprosium-Doped (Ba,Sr)TiO3 Thin Films on Nickel Foilsfor Capacitor Applications
DOI:10.1111/jace.12182 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:1 AU: Bretos, Inigo;Schneller, Theodor;Waser, Rainer;Hennings, Detlev F.;Park, Daesung;Weirich, Thomas;
7:1:26:14 In situ methods to explore microstructure evolution in chemically derived oxide thin films
DOI:10.1557/JMR.2010.0066 JN:JOURNAL OF MATERIALS RESEARCH PY:2010 TC:6 AU: Aygun, Seymen M.;Daniels, Patrick;Borland, William J.;Maria, Jon-Paul;
7:1:26:15 Mechanisms for microstructure enhancement in flux-assisted growth of barium titanate on sapphire
DOI:10.1557/jmr.2014.59 JN:JOURNAL OF MATERIALS RESEARCH PY:2014 TC:3 AU: Burch, Matthew J.;Li, Jing;Harris, David T.;Maria, Jon-Paul;Dickey, Elizabeth C.;
7:1:26:16 Effect of Switching Atmospheric Conditions during Crystallization on the Phase Evolution of Solution-Derived Lead Zirconate Titanate Thin Films
DOI:10.1111/jace.12522 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:3 AU: Mhin, Sungwook;Cozzan, Clayton;Nittala, Krishna;Wanninkhof, Patrick;Ihlefeld, Jon F.;Brennecka, Geoff L.;Jones, Jacob L.;
7:1:26:17 Phase and Texture Evolution in Chemically Derived PZT Thin Films on Pt Substrates
DOI:10.1111/jace.13007 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:3 AU: Mhin, Sungwook;Nittala, Krishna;Lee, Jinhyung;Robinson, Douglas S.;Ihlefeld, Jon F.;Brennecka, Geoff L.;Sanchez, Luz M.;Polcawich, Ronald G.;Jones, Jacob L.;
7:1:26:18 Epitaxial Pb(Zr,Ti)O-3 Thin Films on Flexible Substrates
DOI:10.1111/j.1551-2916.2011.04811.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:5 AU: Shelton, Christopher T.;Gibbons, Brady J.;
7:1:26:19 Realizing strain enhanced dielectric properties in BaTiO3 films by liquid phase assisted growth
DOI:10.1063/1.4813270 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Harris, David T.;Burch, Matthew J.;Ihlefeld, Jon F.;Lam, Peter G.;Li, Jing;Dickey, Elizabeth C.;Maria, Jon-Paul;
7:1:26:20 {001} Oriented piezoelectric films prepared by chemical solution deposition on Ni foils
DOI:10.1063/1.4886597 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Yeo, Hong Goo;Trolier-McKinstry, Susan;
7:1:26:21 High Piezoelectric Longitudinal Coefficients in Sol-gel PZT Thin Film Multilayers
DOI:10.1111/jace.12894 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:0 AU: Balma, Davide;Mazzalai, Andrea;Chidambaram, Nachiappan;Sandu, Cosmin S.;Neels, Antonia;Dommann, Alex;Hess, Peter;Binz, Dieter;Muralt, Paul;
7:1:26:22 Formation Sequence of Lead Platinum Interfacial Phases in Chemical Solution Deposition Derived Pb(Zr1-xTix)O-3 Thin Films
DOI:10.1021/cm101195t JN:CHEMISTRY OF MATERIALS PY:2010 TC:4 AU: Dippel, Ann-Christin;Schneller, Theodor;Waser, Rainer;Park, Daesung;Mayer, Joachim;
7:1:26:23 Growth of highly oriented iridium oxide bottom electrode for Pb(Zr,Ti)O-3 thin films using titanium oxide seed layer
DOI:10.1007/s10853-011-5642-1 JN:JOURNAL OF MATERIALS SCIENCE PY:2011 TC:2 AU: Trupina, L.;Miclea, C.;Amarande, L.;Cioangher, M.;
7:1:26:24 Piezoelectric PZT MEMS technologies for small-scale robotics and RF applications
DOI:10.1557/mrs.2012.269 JN:MRS BULLETIN PY:2012 TC:10 AU: Pulskamp, Jeffrey S.;Polcawich, Ronald G.;Rudy, Ryan Q.;Bedair, Sarah S.;Proie, Robert M.;Ivanov, Tony;Smith, Gabriel L.;
7:1:27:1 Relaxor-like behavior of BaTiO3 crystals from acoustic emission study
DOI:10.1063/1.3464968 JN:APPLIED PHYSICS LETTERS PY:2010 TC:31 AU: Dul'kin, E.;Petzelt, J.;Kamba, S.;Mojaev, E.;Roth, M.;
7:1:27:2 Local structural phenomena in pure and Ru-doped 0.9PbZn(1/3)Nb(2/3)O(3)-0.1PbTiO(3) near the morphotropic phase boundary as revealed by Raman spectroscopy
DOI:10.1103/PhysRevB.83.214104 JN:PHYSICAL REVIEW B PY:2011 TC:20 AU: Waeselmann, N.;Mihailova, B.;Maier, B. J.;Paulmann, C.;Gospodinov, M.;Marinova, V.;Bismayer, U.;
7:1:27:3 Ferroelectric precursor behavior of highly cation-ordered PbSc0.5Ta0.5O3 detected by acoustic emission: Tweed and polar nanoregions
DOI:10.1063/1.4902511 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Dul'kin, Evgeniy;Salje, Ekhard K. H.;Aktas, Oktay;Whatmore, Roger W.;Roth, Michael;
7:1:27:4 Phase transformation above T-m in PbSc0.5Ta0.5O3 relaxor as seen via acoustic emission
DOI:10.1103/PhysRevB.82.180101 JN:PHYSICAL REVIEW B PY:2010 TC:19 AU: Dul'kin, E.;Mihailova, B.;Catalan, G.;Gospodinov, M.;Roth, M.;
7:1:27:5 Effect of La doping on the ferroic order in Pb-based perovskite-type relaxor ferroelectrics
DOI:10.1103/PhysRevB.83.134106 JN:PHYSICAL REVIEW B PY:2011 TC:12 AU: Maier, B. J.;Welsch, A. -M.;Mihailova, B.;Angel, R. J.;Zhao, J.;Paulmann, C.;Engel, J. M.;Marshall, W. G.;Gospodinov, M.;Petrova, D.;Bismayer, U.;
7:1:27:6 Effect of A-site La, Ba, and Sr doping on the threshold field and characteristic temperatures of PbSc0.5Nb0.5O3 relaxor studied by acoustic emission
DOI:10.1063/1.4790601 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:9 AU: Dul'kin, E.;Mihailova, B.;Gospodinov, M.;Roth, M.;
7:1:27:7 Structural state of relaxor ferroelectrics PbSc0.5Ta0.5O3 and PbSc0.5Nb0.5O3 at high pressures up to 30 GPa
DOI:10.1103/PhysRevB.84.174104 JN:PHYSICAL REVIEW B PY:2011 TC:10 AU: Maier, B. J.;Waeselmann, N.;Mihailova, B.;Angel, R. J.;Ederer, C.;Paulmann, C.;Gospodinov, M.;Friedrich, A.;Bismayer, U.;
7:1:27:8 Effect of A-site La and Ba doping on threshold field and characteristic temperatures of PbSc0.5Ta0.5O3 relaxor studied by acoustic emission
DOI:10.1063/1.4752400 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:11 AU: Dul'kin, E.;Mihailova, B.;Gospodinov, M.;Roth, M.;
7:1:27:9 High-pressure Brillouin scattering of the single-crystal PbSc1/2Ta1/2O3 relaxor ferroelectric
DOI:10.1103/PhysRevB.87.184113 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Marquardt, H.;Waeselmann, N.;Wehber, M.;Angel, R. J.;Gospodinov, M.;Mihailova, B.;
7:1:27:10 X-ray absorption spectroscopy of Ru-doped relaxor ferroelectrics with a perovskite-type structure
DOI:10.1103/PhysRevB.89.144112 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Vitova, T.;Mangold, S.;Paulmann, C.;Gospodinov, M.;Marinova, V.;Mihailova, B.;
7:1:27:11 Resonance Raman scattering of perovskite-type relaxor ferroelectrics under nonambient conditions
DOI:10.1103/PhysRevB.90.064107 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: de la Flor, G.;Wehber, M.;Rohrbeck, A.;Aroyo, M. I.;Bismayer, U.;Mihailova, B.;
7:1:27:12 Pressure-induced structural transformations in pure and Ru-doped 0.9PbZn(1/3)Nb(2/3)O(3)-0.1PbTiO(3) near the morphotropic phase boundary
DOI:10.1103/PhysRevB.85.014106 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Waeselmann, N.;Maier, B. J.;Mihailova, B.;Angel, R. J.;Zhao, J.;Gospodinov, M.;Paulmann, C.;Ross, N.;Bismayer, U.;
7:1:27:13 Influence of electric field on local phase transformations in relaxor ferroelectrics PbSc0.5Ta0.5O3 and Pb0.78Ba0.22Sc0.5Ta0.5O3
DOI:10.1063/1.4770479 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:10 AU: Maier, B. J.;Steilmann, T.;Gospodinov, M.;Bismayer, U.;Mihailova, B.;
7:1:27:14 On the Question about the Burns Temperature in KTa1-xNbxO3 Ferroelectrics
DOI:10.1080/00150193.2014.932139 JN:FERROELECTRICS PY:2014 TC:0 AU: Dul'kin, E.;
7:1:27:15 Dielectric maximum temperature non-monotonic behavior in unaxial Sr0.75Ba0.25Nb2O6 relaxor seen via acoustic emission
DOI:10.1063/1.3622670 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:14 AU: Dul'kin, E.;Kojima, S.;Roth, M.;
7:1:27:16 A-site doping-induced renormalization of structural transformations in the PbSc0.5Nb0.5O3 relaxor ferroelectric under high pressure
DOI:10.1103/PhysRevB.81.174116 JN:PHYSICAL REVIEW B PY:2010 TC:12 AU: Maier, B. J.;Welsch, A. -M.;Angel, R. J.;Mihailova, B.;Zhao, J.;Engel, J. M.;Schmitt, L. A.;Paulmann, C.;Gospodinov, M.;Friedrich, A.;Bismayer, U.;
7:1:27:17 Frequency dependence of the characteristic temperatures in PbSc0.5Ta0.36Nb0.14O3 relaxor ferroelectrics crystals seen via acoustic emission
DOI:10.1063/1.4864036 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Dul'kin, E.;Mihailova, B.;Gospodinov, M.;Roth, M.;
7:1:27:18 Effect of chemically ordered regions on the acoustic behaviors in Pb(Mg1/3Nb2/3)O-3 studied by Brillouin scattering
DOI:10.1063/1.3346405 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:9 AU: Ko, Jae-Hyeon;Kim, Tae Hyun;Kojima, Seiji;Long, Xifa;Bokov, Alexei A.;Ye, Zuo-Guang;
7:1:27:19 Brillouin scattering studies of acoustic phonon modes and central peak in single-crystal Pb(Sc1/2Ta1/2)O-3
DOI:10.1103/PhysRevB.85.054104 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Sivasubramanian, V.;Kojima, S.;
7:1:27:20 Ferroelectric precursor behavior in PbSc0.5Ta0.5O3 detected by field-induced resonant piezoelectric spectroscopy
DOI:10.1103/PhysRevB.88.174112 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:1:27:21 Low temperature anomalous field effect in SrxBa1-xNb2O6 uniaxial relaxor ferroelectric seen via acoustic emission
DOI:10.1063/1.3702888 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Dul'kin, E.;Kojima, S.;Roth, M.;
7:1:27:22 Characterization of lead-based relaxor ferroelectric crystals by acoustic emission
DOI:10.1016/j.optmat.2011.07.032 JN:OPTICAL MATERIALS PY:2011 TC:1 AU: Roth, M.;Dul'kin, E.;Mojaev, E.;Tseitlin, M.;
7:1:27:23 Optical beating Brillouin scattering spectroscopic measurements of high-temperature gas
DOI:10.1063/1.3471814 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:2 AU: Minami, Yasuo;Yogi, Takeshi;Sakai, Keiji;
7:1:28:1 Single Crystal Study of Competing Rhombohedral and Monoclinic Order in Lead Zirconate Titanate
DOI:10.1103/PhysRevLett.105.207601 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:30 AU: Phelan, D.;Long, X.;Xie, Y.;Ye, Z. -G.;Glazer, A. M.;Yokota, H.;Thomas, P. A.;Gehring, P. M.;
7:1:28:2 Polar lattice vibrations and phase transition dynamics in Pb(Zr1-xTix)O-3
DOI:10.1103/PhysRevB.84.184302 JN:PHYSICAL REVIEW B PY:2011 TC:16 AU: Buixaderas, E.;Nuzhnyy, D.;Petzelt, J.;Jin, Li;Damjanovic, D.;
7:1:28:3 Phase transition behaviors of PbZr1-xTixO3 single crystals as revealed by elastic anomalies and central peaks
DOI:10.1063/1.3688050 JN:APPLIED PHYSICS LETTERS PY:2012 TC:10 AU: Kim, Tae Hyun;Ko, Jae-Hyeon;Kojima, Seiji;Bokov, Alexei A.;Long, Xifa;Ye, Zuo-Guang;
7:1:28:4 High-resolution x-ray diffraction study of single crystals of lead zirconate titanate
DOI:10.1103/PhysRevB.84.020102 JN:PHYSICAL REVIEW B PY:2011 TC:16 AU: Gorfman, S.;Keeble, D. S.;Glazer, A. M.;Long, X.;Xie, Y.;Ye, Z-G.;Collins, S.;Thomas, P. A.;
7:1:28:5 Soft antiferroelectric fluctuations in morphotropic PbZr1-xTixO3 single crystals as evidenced by inelastic x-ray scattering
DOI:10.1103/PhysRevB.83.140101 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Hlinka, J.;Ondrejkovic, P.;Kempa, M.;Borissenko, E.;Krisch, M.;Long, X.;Ye, Z. -G.;
7:1:28:6 Structural Heterogeneity and Diffuse Scattering in Morphotropic Lead Zirconate-Titanate Single Crystals
DOI:10.1103/PhysRevLett.109.097603 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:11 AU: Burkovsky, R. G.;Bronwald, Yu. A.;Filimonov, A. V.;Rudskoy, A. I.;Chernyshov, D.;Bosak, A.;Hlinka, J.;Long, X.;Ye, Z. -G.;Vakhrushev, S. B.;
7:1:28:7 Ground state of (Pb0.94Sr0.06)(Zr0.530Ti0.470)O-3 in the morphotropic phase boundary region: Evidence for a monoclinic C c space group
DOI:10.1103/PhysRevB.84.144116 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Solanki, Ravindra Singh;Singh, Akhilesh Kumar;Mishra, S. K.;Kennedy, Shane J.;Suzuki, Takashi;Kuroiwa, Yoshihiro;Moriyoshi, Chikako;Pandey, Dhananjai;
7:1:28:8 Optically isotropic and monoclinic ferroelectric phases in Pb(Zr1-xTix)O-3 (PZT) single crystals near morphotropic phase boundary
DOI:10.1103/PhysRevB.81.172103 JN:PHYSICAL REVIEW B PY:2010 TC:15 AU: Bokov, Alexei A.;Long, Xifa;Ye, Zuo-Guang;
7:1:28:9 Merging of the polar and tilt instability lines near the respective morphotropic phase boundaries of PbZr1-xTixO3
DOI:10.1103/PhysRevB.87.094108 JN:PHYSICAL REVIEW B PY:2013 TC:6 AU: Cordero, F.;Trequattrini, F.;Craciun, F.;Galassi, C.;
7:1:28:10 Confirmation of the monoclinic Cc space group for the ground state phase of Pb(Zr0.525Ti0.475)O-3: A combined synchrotron X-ray and neutron powder diffraction study
DOI:10.1063/1.4790569 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Solanki, Ravindra Singh;Mishra, Sunil Kumar;Senyshyn, Anatoliy;Yoon, Songhak;Baik, Sunggi;Shin, Namsoo;Pandey, Dhananjai;
7:1:28:11 A statistical model approximation for perovskite solid-solutions: A Raman study of lead-zirconate-titanate single crystal
DOI:10.1063/1.4798391 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:9 AU: Frantti, J.;Fujioka, Y.;Puretzky, A.;Xie, Y.;Ye, Z. -G.;Glazer, A. M.;
7:1:28:12 Low-frequency coupled modes in disordered Pb(Zr,Ti)O-3 solid solutions from first principles
DOI:10.1103/PhysRevB.85.014301 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Weerasinghe, Jeevaka;Wang, Dawei;Bellaiche, L.;
7:1:28:13 Local Structure of a Pure Bi A Site Polar Perovskite Revealed by Pair Distribution Function Analysis and Reverse Monte Carlo Modeling: Correlated Off-Axis Displacements in a Rhombohedral Material
DOI:10.1021/ja210698e JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2012 TC:6 AU: Chong, Samantha Y.;Szczecinski, Robert J.;Bridges, Craig A.;Tucker, Matthew G.;Claridge, John B.;Rosseinsky, Matthew J.;
7:1:28:14 Dynamical coupling in Pb(Zr,Ti)O-3 solid solutions from first principles
DOI:10.1103/PhysRevB.83.020301 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Wang, Dawei;Weerasinghe, Jeevaka;Bellaiche, L.;Hlinka, Jirka;
7:1:28:15 Fermi Resonance Involving Nonlinear Dynamical Couplings in Pb(Zr, Ti)O-3 Solid Solutions
DOI:10.1103/PhysRevLett.107.175502 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:8 AU: Wang, Dawei;Buixaderas, Elena;Iniguez, Jorge;Weerasinghe, Jeevaka;Wang, Hong;Bellaiche, L.;
7:1:28:16 Ferroelectric and antiferrodistortive phase transition in the multiferroic (Bi0.8Ba0.2)(Fe0.8Ti0.2)O-3: A high temperature neutron powder diffraction study
DOI:10.1063/1.3606500 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Singh, Anar;Senyshyn, Anatoliy;Fuess, Hartmut;Pandey, Dhananjai;
7:1:28:17 Comparison of short-range ion-ion correlations in the alpha, beta and delta phases of Bi2O3
DOI:10.1016/j.ssi.2010.01.027 JN:SOLID STATE IONICS PY:2011 TC:5 AU: Norberg, Stefan T.;Eriksson, Sten G.;Hull, Stephen;
7:1:28:18 High-pressure neutron study of the morphotropic lead-zirconate-titanate: Phase transitions in a two-phase system
DOI:10.1063/1.4733570 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Frantti, J.;Fujioka, Y.;Zhang, J.;Wang, S.;Vogel, S. C.;Nieminen, R. M.;Asiri, A. M.;Zhao, Y.;Obaid, A. Y.;Mkhalid, I. A.;
7:1:28:19 Specific heat of ferroelectric Pb(Zr1-xTix)O-3 ceramics across the morphotropic phase boundary
DOI:10.1063/1.4712633 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Lang, S. B.;Zhu, W. M.;Ye, Z. -G.;
7:1:28:20 Nature of ferroelectric to paraelectric phase transition in multiferroic 0.8BiFeO(3)-0.2Pb(Fe1/2Nb1/2)O-3 ceramics
DOI:10.1063/1.3428410 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:10 AU: Patel, Jay Prakash;Singh, Anar;Pandey, Dhananjai;
7:1:28:21 Higher-order approximation of the phase transition in the Pb-based perovskite oxide solid-solutions
DOI:10.1063/1.4813489 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Li, Lin;Kim, Ilhwan;Jang, Kumok;Ri, Kwangson;Cha, Jongchol;
7:1:28:22 Local Crystal Structure of Antiferroelectric Bi2Mn4/3Ni2/3O6 in Commensurate and Incommensurate Phases Described by Pair Distribution Function (PDF) and Reverse Monte Carlo (RMC) Modeling
DOI:10.1021/cm4038439 JN:CHEMISTRY OF MATERIALS PY:2014 TC:1 AU: Szczecinski, Robert J.;Chong, Samantha Y.;Chater, Philip A.;Hughes, Helen;Tucker, Matthew G.;Claridge, John B.;Rosseinsky, Matthew J.;
7:1:28:23 Antiferrodistortive phase transition in pseudorhombohedral (Pb0.94Sr0.06)( Zr0.550Ti0.450)O-3: A combined synchrotron x-ray and neutron powder diffraction study
DOI:10.1103/PhysRevB.86.174117 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;Phonon softening and dispersion in EuTiO3;PHYSICAL REVIEW B;86;22;220301;10.1103/PhysRevB.86.220301;DEC 4 2012;2012;We measured phonon dispersion in single-crystal EuTiO3 using inelastic;x-ray scattering. Astructural transition to an antiferrodistortive phase;was found at a critical temperature T-0 = 287 +/- 1K using powder and;single-crystal x-ray diffraction. Clear softening of the zone boundary;R-point q = (0.5 0.5 0.5) acoustic phonon shows this to be a displacive;transition. The mode energy plotted against reduced temperature could be;seen to nearly overlap that of SrTiO3, suggesting a universal scaling;relation. Phonon dispersion was measured along Gamma-X (0 0 0) -> (0.5 0;0). Mode eigenvectors were obtained from a shell model consistent with;the q dependence of intensity and energy, which also showed that the;dispersion is nominally the same as in SrTiO3 at room temperature, but;corrected for mass. The lowest-energy optical mode, determined to be of;Slater character, softens approximately linearly with temperature until;the 70-100 K range where the softening stops, and at low temperature,;the mode disperses linearly near the zone center.;7;0;0;0;7;1098-0121;WOS:000311910600001;;;J;Fock, J.;Leijnse, M.;Jennum, K.;Zyazin, A. S.;Paaske, J.;Hedegard, P.;Nielsen, M. Brondsted;van der Zant, H. S. J.;Manipulation of organic polyradicals in a single-molecule transistor;PHYSICAL REVIEW B;86;23;235403;10.1103/PhysRevB.86.235403;DEC 4 2012;2012;Inspired by cotunneling spectroscopy of spin-states in a single;OPE5-based molecule, we investigate the prospects for electric control;of magnetism in purely organic molecules contacted in a three-terminal;geometry. Using the gate electrode, the molecule is reversibly switched;between three different redox states, with magnetic spectra revealing;both ferromagnetic and antiferromagnetic exchange couplings on the;molecule. These observations are shown to be captured by an effective;low-energy Heisenberg model, which we substantiate microscopically by a;simple valence bond description of the molecule. These preliminary;findings suggest an interesting route towards functionalized all-organic;molecular magnetism.;Fock, Jeppe/A-9074-2011;Fock, Jeppe/0000-0002-7515-4026;3;0;0;0;3;1098-0121;WOS:000311911100003;;;J;Li, P. H. Y.;Bishop, R. F.;Campbell, C. E.;Farnell, D. J. J.;Goetze, O.;Richter, J.;Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice;PHYSICAL REVIEW B;86;21;214403;10.1103/PhysRevB.86.214403;DEC 4 2012;2012;We use the coupled-cluster method to study the zero-temperature;properties of an extended two-dimensional Heisenberg antiferromagnet;formed from spin-1/2 moments on an infinite spatially anisotropic kagome;lattice of corner-sharing isosceles triangles, with nearest-neighbor;bonds only. The bonds have exchange constants J(1) > 0 along two of the;three lattice directions and J(2) = kappa J(1) > 0 along the third. In;the classical limit, the ground-state (GS) phase for kappa < 1/2 has;collinear ferrimagnetic (Neel') order where the J(2)-coupled chain spins;are ferromagnetically ordered in one direction with the remaining spins;aligned in the opposite direction, while for kappa > 1/2 there exists an;infinite GS family of canted ferrimagnetic spin states, which are;energetically degenerate. For the spin-1/2 case, we find that quantum;analogs of both these classical states continue to exist as stable GS;phases in some regions of the anisotropy parameter kappa, namely, for 0;< kappa < kappa(c1) for the Neel' state and for (at least part of) the;region kappa > kappa(c2) for the canted phase. However, they are now;separated by a paramagnetic phase without either sort of magnetic order;in the region kappa(c1) < kappa < kappa(c2), which includes the;isotropic kagome point kappa = 1 where the stable GS phase is now;believed to be a topological (Z(2)) spin liquid. Our best numerical;estimates are kappa(c1) = 0.515 +/- 0.015 and kappa(c2) = 1.82 +/- 0.03.;Richter, Johannes/A-6339-2009; Bishop, Raymond/D-9715-2012;Bishop, Raymond/0000-0001-5565-0658;4;0;0;0;4;1098-0121;WOS:000311910100002;;;J;Monozon, B. S.;Schmelcher, P.;Bound and resonant impurity states in a narrow gapped armchair graphene;nanoribbon;PHYSICAL REVIEW B;86;24;245404;10.1103/PhysRevB.86.245404;DEC 4 2012;2012;An analytical study of discrete and resonant impurity quasi-Coulomb;states in a narrow gapped armchair graphene nanoribbon (GNR) is;performed. We employ the adiabatic approximation assuming that the;motions parallel ("slow") and perpendicular ("fast") to the boundaries;of the ribbon are separated adiabatically. The energy spectrum comprises;a sequence of series of quasi-Rydberg levels relevant to the slow motion;adjacent from the low energies to the size-quantized levels associated;with the fast motion. Only the series attributed to the ground;size-quantized subband is really discrete, while others corresponding to;the excited subbands consist of quasidiscrete (Fano resonant) levels of;nonzero energetic widths, caused by the coupling with the states of the;continuous spectrum branching from the low lying subbands. In the;two-and three-subband approximation the spectrum of the complex energies;of the impurity electron is derived in an explicit form. Narrowing the;GNR leads to an increase of the binding energy and the resonant width;both induced by the finite width of the ribbon. Displacing the impurity;center from the midpoint of the GNR causes the binding energy to;decrease, while the resonant width of the first excited Rydberg series;increases. As for the second excited series, their widths become;narrower with the shift of the impurity. A successful comparison of our;analytical results with those obtained by other theoretical and;experimental methods is presented. Estimates of the binding energies and;the resonant widths taken for the parameters of typical GNRs show that;not only the strictly discrete but also some resonant states are quite;stable and could be studied experimentally in doped GNRs.;Monozon, Boris/E-6412-2012; Schmelcher, Peter/D-9592-2014;Schmelcher, Peter/0000-0002-2637-0937;0;0;0;0;0;1098-0121;WOS:000311911900002;;;J;Thiaville, Andre;Vukadinovic, Nicolas;Acher, Olivier;Sum rule for the magnetic permeability of arbitrary textures;PHYSICAL REVIEW B;86;21;214404;10.1103/PhysRevB.86.214404;DEC 4 2012;2012;The f-sum rule for the magnetic permeability, derived previously for an;assembly of isolated macrospins, is generalized for an arbitrary;nonuniform three-dimensional magnetization texture, in which the;magnetizations at different points are coupled by exchange and;magnetostatic interactions. The sum value depends only on the magnetic;texture at rest. It has no direct contribution from the exchange energy,;but depends on the anisotropy, applied field, and demagnetizing;energies. The derived formula is tested against numerical calculations;for several complex and very different magnetization structures. This;generalized sum rule should be useful for experiments, numerical;simulations, and metrology.;1;0;0;0;1;1098-0121;WOS:000311910100003;;;J;Troc, R.;Gajek, Z.;Pikul, A.;Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as;seen in magnetic, transport, and specific-heat data;PHYSICAL REVIEW B;86;22;224403;10.1103/PhysRevB.86.224403;DEC 4 2012;2012;Single-crystalline UGe2 was investigated by means of magnetic;susceptibility, magnetization, electrical resistivity,;magnetoresistivity, and specific-heat measurements, all carried out in;wide temperature and magnetic-field ranges. An analysis of the obtained;data points out the dual behavior of the 5f electrons in this compound,;i. e., possessing simultaneously local and itinerant characters in two;substates. The magnetic and thermal characteristics of the compound were;modeled using the effective crystal field (CF) in the intermediate;coupling scheme and initial parameters obtained in the angular overlap;model. Various configurations of the localized 5f(n) (n = 1, 2, and 3);electrons on the uranium ion have been probed. The best results were;obtained for the 5f(2) (U4+) configuration. The CF parameters obtained;in the paramagnetic region allowed us to reproduce satisfactorily the;experimental findings in the whole temperature range including also the;magnitude of the ordered magnetic moment of uranium at low temperature.;The electrical resistivity data after subtraction of the phonon;contribution reveal the presence of a Kondo-like interaction in UGe2;supporting the idea of partial localization of the 5f electrons in UGe2.;On the other hand, magnetoresistivity and an excess of specific heat;originated from the hybridized (itinerant) part of 5f states, apparent;around the characteristic temperature T*, give a distinct signature for;the presence of the coupled charge-density wave and spin-density wave;fluctuations over all the ferromagnetic region with a maximum at T*,;postulated earlier in the literature.;7;0;0;0;7;1098-0121;WOS:000311910600004;;;J;Williams, T. J.;Yamani, Z.;Butch, N. P.;Luke, G. M.;Maple, M. B.;Buyers, W. J. L.;Neutron scattering study of URu2-xRexSi2 (x=0.10): Driving order towards;quantum criticality;PHYSICAL REVIEW B;86;23;235104;10.1103/PhysRevB.86.235104;DEC 4 2012;2012;We report inelastic neutron scattering measurements in the hidden order;state of URu2-xRexSi2 with x = 0.10. We observe that towards the;ferromagnetic quantum critical point induced by the negative chemical;pressure of Re doping, the gapped incommensurate fluctuations are robust;and comparable in intensity to the parent material. As the Re doping;moves the system toward the quantum critical point, the commensurate;spin fluctuations related to hidden order weaken, display a shortened;lifetime, and slow down. Halfway to the quantum critical point, the;hidden order phase survives, albeit weakened, in contrast to its;destruction by hydrostatic pressure and by positive chemical pressure;from Rh doping.;yamani, zahra/B-7892-2012; Luke, Graeme/A-9094-2010;0;0;0;0;0;1098-0121;WOS:000311911100001;;;J;Wolfowicz, Gary;Simmons, Stephanie;Tyryshkin, Alexei M.;George, Richard E.;Riemann, Helge;Abrosimov, Nikolai V.;Becker, Peter;Pohl, Hans-Joachim;Lyon, Stephen A.;Thewalt, Mike L. W.;Morton, John J. L.;Decoherence mechanisms of Bi-209 donor electron spins in isotopically;pure Si-28;PHYSICAL REVIEW B;86;24;245301;10.1103/PhysRevB.86.245301;DEC 4 2012;2012;Bismuth (Bi-209) is the deepest group V donor in silicon and possesses;the most extreme characteristics such as a 9/2 nuclear spin and a 1.5;GHz hyperfine coupling. These lead to several potential advantages for a;Si:Bi donor electron spin qubit compared to the more common phosphorus;donor. Most previous studies on Si: Bi have been performed using natural;silicon where linewidths and electron spin coherence times are limited;by the presence of Si-29 impurities. Here, we describe electron spin;resonance (ESR) and electron nuclear double resonance (ENDOR) studies on;Bi-209 in isotopically pure Si-28. ESR and ENDOR linewidths, transition;probabilities, and coherence times are understood in terms of the spin;Hamiltonian parameters showing a dependence on field and m(I) of the;Bi-209 nuclear spin. We explore various decoherence mechanisms;applicable to the donor electron spin, measuring coherence times up to;700 ms at 1.7 K at X band, comparable with Si-28:P. Importantly, the;coherence times we measure follow closely to the calculated field;gradients of the transition frequencies (df/dB), providing a strong;motivation to explore "clock" transitions where coherence lifetimes;could be further enhanced.;Morton, John/I-3515-2013;6;1;0;0;6;1098-0121;WOS:000311911900001;;;J;Armbruster, Oskar;Lungenschmied, Christoph;Bauer, Siegfried;Investigation of trap states and mobility in organic semiconductor;devices by dielectric spectroscopy: Oxygen-doped P3HT:PCBM solar cells;PHYSICAL REVIEW B;86;23;235201;10.1103/PhysRevB.86.235201;DEC 3 2012;2012;We investigate the dielectric response of solar cell devices based on;oxygen-doped poly(3-hexylthiophene):[6,6]-phenyl-C-61-butyric acid;methyl ester (P3HT:PCBM) blends as a function of temperature between 133;K and 303 K. The spectra are analyzed using a recently introduced model;[O. Armbruster, C. Lungenschmied, and S. Bauer, Phys. Rev. B 84, 085208;(2011)] which is based on a trapping and reemission mechanism of charge;carriers. A dominating trap depth of 130 meV is determined and the;broadening of this trap level identified as purely thermal. In addition;we estimate the density of charge carriers after doping as well as their;mobility. We show that the concentration of mobile holes approximately;doubles by heating the device from the lowest to the highest measured;temperature. This is indicative of a second, shallow trap level of;approximately 14 meV. Dielectric spectroscopy hence proves to be a;valuable tool to assess device parameters such as dopant concentration,;charge carrier transport characteristics, and mobility which are of;crucial interest for understanding degradation in organic semiconductor;devices.;Bauer, Siegfried/A-2354-2009; Armbruster, Oskar/G-1154-2014;Armbruster, Oskar/0000-0002-4235-4451;3;0;0;0;3;1098-0121;WOS:000311806300004;;;J;Chen, Bo;Abbey, Brian;Dilanian, Ruben;Balaur, Eugeniu;van Riessen, Grant;Junker, Mark;Tran, Chanh Q.;Jones, Michael W. M.;Peele, Andrew G.;McNulty, Ian;Vine, David J.;Putkunz, Corey T.;Quiney, Harry M.;Nugent, Keith A.;Diffraction imaging: The limits of partial coherence;PHYSICAL REVIEW B;86;23;235401;10.1103/PhysRevB.86.235401;DEC 3 2012;2012;Coherent diffraction imaging (CDI) typically requires that the source;should be highly coherent both laterally and longitudinally. In this;paper, we demonstrate that lateral and longitudinal partial coherence;can be successfully included in a CDI reconstruction algorithm;simultaneously using experimental x-ray data. We study the interplay;between lateral partial coherence and longitudinal partial coherence and;their relative influence on CDI. We compare our results against the;coherence criteria published by Spence et al. [Spence et al.,;Ultramicroscopy 101, 149 (2004)] and show that for iterative ab initio;phase-recovery algorithms based on those typically used in CDI and in;cases where the coherence properties are known, we are able to relax the;minimal coherence requirements by a factor of 2 both laterally and;longitudinally, potentially yielding significant reduction in exposure;time.;Jones, Michael/M-6895-2013; Abbey, Brian/D-3274-2011;Jones, Michael/0000-0002-0720-8715;;5;1;0;0;5;1098-0121;WOS:000311806300008;;;J;Gawarecki, Krzysztof;Lueker, Sebastian;Reiter, Doris E.;Kuhn, Tilmann;Glaessl, Martin;Axt, Vollrath Martin;Grodecka-Grad, Anna;Machnikowski, Pawel;Dephasing in the adiabatic rapid passage in quantum dots: Role of;phonon-assisted biexciton generation;PHYSICAL REVIEW B;86;23;235301;10.1103/PhysRevB.86.235301;DEC 3 2012;2012;We study the evolution of an exciton confined in a quantum dot;adiabatically controlled by a frequency-swept (chirped) laser pulse in;the presence of carrier-phonon coupling. We focus on the dynamics;induced by a linearly polarized beam and analyze the decoherence due to;phonon-assisted biexciton generation. We show that if the biexciton;state is shifted down by a few meV, as is typically the case, then the;resulting decoherence is strong even at low temperatures. As a result,;efficient state preparation is restricted to a small parameter area;corresponding to low temperatures, positive chirps, and moderate pulse;areas.;Kuhn, Tilmann/C-1190-2008;6;0;0;0;6;1098-0121;WOS:000311806300006;;;J;Hellstrom, Matti;Spangberg, Daniel;Hermansson, Kersti;Broqvist, Peter;Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface;PHYSICAL REVIEW B;86;23;235302;10.1103/PhysRevB.86.235302;DEC 3 2012;2012;The formation of Cu dimers on the ZnO(10 (1) over bar0) surface has been;studied using hybrid density functional theory. Depending on the;adsorption site, Cu atoms are found to adsorb with either oxidation;state 0 or +1. In the latter case, the Cu atom has donated an electron;to the ZnO conduction band. The two modes of adsorption display similar;stability at low coverages, while at higher coverages the neutral;species is more stable. Single Cu atoms diffuse across the ZnO(10 (1);over bar0) surface with small barriers of migration (0.3-0.4 eV) along;ZnO[1 (2) over bar 10], repeatedly switching their oxidation states,;while the barrier along ZnO[0001] is significantly higher (>1.5 eV). The;formation of a Cu dimer from two adsorbed Cu atoms is energetically;favorable with two competing structures of similar stability, both being;charge neutral. The minimum energy paths for Cu atom diffusion and dimer;formation are characterized by at least one of the two Cu atoms being in;oxidation state 0.;5;0;0;0;5;1098-0121;WOS:000311806300007;;;J;Huang, Yu-Kun;Chen, Pochung;Kao, Ying-Jer;Accurate computation of low-temperature thermodynamics for quantum spin;chains;PHYSICAL REVIEW B;86;23;235102;10.1103/PhysRevB.86.235102;DEC 3 2012;2012;We apply the biorthonormal transfer-matrix renormalization group (BTMRG);[Huang, Phys. Rev. E 83, 036702 (2011)] to study low-temperature;properties of quantum spin chains. Simulations on anisotropic Heisenberg;spin-1/2 chains demonstrate that the BTMRG outperforms the conventional;transfer-matrix renormalization group by successfully accessing far;lower temperature than previously reported, while retaining the same;level of accuracy. The power of the method is further illustrated by the;calculation of the low-temperature specific heat for a frustrated spin;chain.;Kao, Ying Jer/B-5297-2009; Chen, Pochung/G-1241-2010;Kao, Ying Jer/0000-0002-3329-6018;;4;0;0;0;4;1098-0121;WOS:000311806300002;;;J;Kim, Jin Hee;Rhyee, Jong-Soo;Kwon, Yong Seung;Magnon gap formation and charge density wave effect on thermoelectric;properties in the SmNiC2 compound;PHYSICAL REVIEW B;86;23;235101;10.1103/PhysRevB.86.235101;DEC 3 2012;2012;We studied the electrical, thermal, and thermoelectric properties of the;polycrystalline compound of SmNiC2. The electrical resistivity and;magnetization measurement show the interplay between the charge density;wave at T-CDW = 150 K and the ferromagnetic ordering of T-c = 18 K.;Below the ferromagnetic transition temperature, we observed the magnon;gap formation of Delta similar or equal to 4.3- 4.4 meV by rho(T) and;C-p (T) measurements. The charge density wave is attributed to the;increase of the Seebeck coefficient resulting in the increase of the;power factor S-2 sigma. The thermal conductivity anomalously increases;with increasing temperature along the whole measured temperature range,;which implies the weak attribution of Umklapp phonon scattering. The;thermoelectric figure of merit ZT significantly increases due to the;increase of the power factor at T-CDW = 150 K. Here we argue that the;competing interaction between electron-phonon and electron-magnon;couplings exhibits the unconventional behavior of electrical and thermal;properties.;6;0;1;0;6;1098-0121;WOS:000311806300001;;;J;Osorio-Guillen, J. M.;Larrauri-Pizarro, Y. D.;Dalpian, G. M.;Pressure-induced metal-insulator transition and absence of magnetic;order in FeGa3 from a first-principles study;PHYSICAL REVIEW B;86;23;235202;10.1103/PhysRevB.86.235202;DEC 3 2012;2012;The intermetallic compound FeGa3 is a narrow-gap semiconductor with a;measured gap between 0.2 and 0.6 eV. The presence of iron d states on;the top of the valence band and on the bottom of the conduction band,;together with its moderate electronic correlation (U/W similar to 0.6),;have led to the question of whether there is magnetic order in this;compound. We have examined the possible presence of magnetism in FeGa3;as well as its electronic structure at high pressures, using the density;functional theory (DFT) + U method with the intermediated;double-counting scheme. We have found that for an optimized value of the;Yukawa screening length., there is no magnetic moment on the iron ions;(mu = 0), implying that FeGa3 is nonmagnetic. We have also found that;around a pressure of 25 GPa a metal-insulator transition takes place.;Osorio-Guillen, Jorge/B-7587-2008; Dalpian, Gustavo/B-9746-2008;Osorio-Guillen, Jorge/0000-0002-7384-8999;;3;0;0;0;3;1098-0121;WOS:000311806300005;;;J;Yuan, Xun;Zhang, Yubo;Abtew, Tesfaye A.;Zhang, Peihong;Zhang, Wenqing;VO2: Orbital competition, magnetism, and phase stability;PHYSICAL REVIEW B;86;23;235103;10.1103/PhysRevB.86.235103;DEC 3 2012;2012;The relative phase stability of VO2 is one of the most fundamental;issues concerning the metal-insulator transition in this material but;has been so far largely unexplored theoretically. We investigate the;relative stability of various phases of VO2 using different levels of;energy functionals within density functional theory (DFT). It is found;that straightforward applications of several popular energy functionals,;including the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, result in;a wrong prediction for the ground state of VO2. In particular, although;the HSE and DFT + U methods are able to produce a band gap in the M-1;phase, they strongly favor the formation of local magnetic moments, a;result that clearly disagrees with experiments. We also examine the;effect of the occupation and the redistribution of the d derived t(2g);(i.e., d(xz), d(yz), and d(x2-y2)) orbitals of V atoms on the calculated;relative phase stability of VO2. We find that a small change in d;occupation can result in a drastically different theoretical prediction.;With the introduction of an orbital-dependent potential, a complete;separation between the d(x2-y2) derived valence band and d(xz) and d(yz);derived conduction bands in the M-1 phase is achieved, resulting in a;slight redistribution of the d occupation and a more faithful account of;the polarization of the t(2g) orbitals. This slight rearrangement of the;d occupation also leads to a relative phase stability of VO2 ( including;structural and magnetic phases) that agrees well with experiment.;Zhang, Wenqing/K-1236-2012; Zhang, Peihong/D-2787-2012;4;0;0;0;4;1098-0121;WOS:000311806300003;;;J;Campi, Davide;Bernasconi, Marco;Benedek, Giorgio;Electronic properties and lattice dynamics of the As(111) surface;PHYSICAL REVIEW B;86;24;245403;10.1103/PhysRevB.86.245403;DEC 3 2012;2012;The bulk and surface electronic and structural properties of As(111);have been studied with first-principles methods. The inclusion of;spin-orbit interaction reveals that As shares the same topologically;nontrivial order of the bulk electronic bands of Sb which gives rise to;two spin-polarized surface states connecting valence-like and;conduction-like states. Bulk and surface phonons have been calculated by;means of density functional perturbation theory. The surface phonon;bands reveal features related to a remarkable stiffening of the surface;bilayer with respect to the bulk ones similarly to what is measured for;the Bi(111) and to what is expected for the Sb(111) surface.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000311806500003;;;J;Chakraborty, Akash;Wenk, Paul;Bouzerar, Richard;Bouzerar, Georges;Spontaneous magnetization in the presence of nanoscale inhomogeneities;in diluted magnetic systems;PHYSICAL REVIEW B;86;21;214402;10.1103/PhysRevB.86.214402;DEC 3 2012;2012;The presence of nanoscale inhomogeneities has been experimentally;evidenced in several diluted magnetic systems, which in turn often leads;to interesting physical phenomena. However, a proper theoretical;understanding of the underlying physics is lacking in most of the cases.;Here, we present a detailed and comprehensive theoretical study of the;effects of nanoscale inhomogeneities on the temperature-dependent;spontaneous magnetization in diluted magnetic systems, which is found to;exhibit an unusual and unconventional behavior. The effects of impurity;clustering on the magnetization response have hardly been studied until;now. We show that nanosized clusters of magnetic impurities can lead to;drastic effects on the magnetization compared to that of homogeneously;diluted compounds. The anomalous nature of the magnetization curves;strongly depends on the relative concentration of the inhomogeneities as;well as the effective range of the exchange interactions. In addition,;we also provide a systematic discussion of the nature of the;distributions of the local magnetizations.;3;0;0;0;3;1098-0121;WOS:000311805500004;;;J;Dmitriev, A. P.;Gornyi, I. V.;Polyakov, D. G.;Coulomb drag between ballistic quantum wires;PHYSICAL REVIEW B;86;24;245402;10.1103/PhysRevB.86.245402;DEC 3 2012;2012;We develop a kinetic equation description of Coulomb drag between;ballistic one-dimensional electron systems, which enables us to;demonstrate that equilibration processes between right- and left-moving;electrons are crucially important for establishing dc drag. In;one-dimensional geometry, this type of equilibration requires either;backscattering near the Fermi level or scattering with small-momentum;transfer near the bottom of the electron spectrum. Importantly, pairwise;forward scattering in the vicinity of the Fermi surface alone is not;sufficient to produce a nonzero dc drag resistivity rho(D), in contrast;to a number of works that have studied Coulomb drag due to this;mechanism of scattering before. We show that slow equilibration between;two subsystems of electrons of opposite chirality, "bottlenecked" by;inelastic collisions involving cold electrons near the bottom of the;conduction band, leads to a strong suppression of Coulomb drag, which;results in an activation dependence of rho(D) on temperature, instead of;the conventional power law. We demonstrate the emergence of a drag;regime in which rho(D) does not depend on the strength of interwire;interactions, while depending strongly on the strength of interactions;inside the wires.;4;0;0;0;4;1098-0121;WOS:000311806500002;;;J;Etz, Corina;Costa, Marcio;Eriksson, Olle;Bergman, Anders;Accelerating the switching of magnetic nanoclusters by anisotropy-driven;magnetization dynamics;PHYSICAL REVIEW B;86;22;224401;10.1103/PhysRevB.86.224401;DEC 3 2012;2012;In this work, the magnetization dynamics of clusters supported on;nonmagnetic substrates is shown to exhibit a complex response when;subjected to external magnetic fields. The field-driven magnetization;reversal of small Co clusters deposited on a Cu(111) surface has been;studied by means of first-principles calculations and atomistic spin;dynamics simulations. For applied fields ranging from 1 to 10 Tesla, we;observe a coherent magnetization reversal with switching times in the;range of several tenths of picoseconds to several nanoseconds, depending;on the field strength. We find a nonmonotonous dependence of the;switching times with respect to the strength of the applied field, which;we prove has its origin in the complex magnetic anisotropy landscape of;these low-dimensional systems. This effect is shown to be stable for;temperatures around 10 K, and is possible to realize over a range of;exchange interactions and anisotropy landscapes. Possible experimental;routes to achieve this unique switching behavior are discussed.;Bergman, Anders/H-7996-2012; Etz, Corina/E-3112-2014; Eriksson, Olle/E-3265-2014;Bergman, Anders/0000-0002-5134-1978;;3;1;0;0;3;1098-0121;WOS:000311805700003;;;J;Harada, S.;Zhou, J. J.;Yao, Y. G.;Inada, Y.;Zheng, Guo-qing;Abrupt enhancement of noncentrosymmetry and appearance of a spin-triplet;superconducting state in Li-2(Pd1-xPtx)(3)B beyond x=0.8;PHYSICAL REVIEW B;86;22;220502;10.1103/PhysRevB.86.220502;DEC 3 2012;2012;We report synthesis, Pt-195, B-11, and Li-7 NMR measurements, and;first-principles band calculations for noncentrosymmetric;superconductors Li-2(Pd1-xPtx)(3)B (x = 0, 0.2, 0.5, 0.8, 0.84, 0.9, and;1). For 0 <= x <= 0.8, the spin-lattice relaxation rate 1/T-1 shows a;clear coherence peak just below T-c, decreasing exponentially at low;temperature, and the Knight shift K-195 decreases below Tc. For x = 0.9;and 1.0, in contrast, 1/T-1 shows no coherence peak but a T-3 variation;and K-195 remains unchanged across T-c. These results indicate that the;superconducting state changes drastically from a spin-singlet dominant;to a spin-triplet dominant state at x = 0.8. We find that the distortion;of B(Pt,Pd)(6) increases abruptly above x = 0.8, which leads to an;abrupt enhancement of the asymmetric spin-orbit coupling as confirmed by;band calculation. Such structure distortion that enhances the extent of;inversion-symmetry breaking is primarily responsible for the pairing;symmetry evolution. The insight obtained here provides a guideline for;searching for noncentrosymmetric superconductors with a large;spin-triplet component.;Yao, Yugui/A-8411-2012; Zheng, Guo-qing/B-1524-2011;6;0;0;0;6;1098-0121;WOS:000311805700002;;;J;Huang, C. L.;Fritsch, V.;Kittler, W.;v. Loehneysen, H.;Low-temperature properties of CeAu2Ge2 single crystals grown from Au-Ge;and Sn flux;PHYSICAL REVIEW B;86;21;214401;10.1103/PhysRevB.86.214401;DEC 3 2012;2012;The specific heat of CeAu2Ge2 single crystals grown from Au-Ge (AGF) or;Sn flux (SF) was measured at temperatures T between 1.8 and 200 K. Two;magnetic transitions are observed in the zero-field specific heat at;12.1 and 14.5 K in the AGF sample, while only a single sharp transition;at 9.2 K is seen in the SF sample, confirming our recent susceptibility;results [Fritsch et al., Phys. Rev. B 84, 104446 (2011)]. We observe;several field-induced transitions in the magnetoresistance of the AGF;sample measured at 1.6 and 2.3 K in accordance with the B-T phase;diagram constructed from isothermal magnetization curves M(B). In;addition, we have measured M(B) under hydrostatic pressure P up to 10.5;kbar. The Neel temperature T-N increases linearly with P at a small rate;of 0.049 K/kbar, which suggests that, if T-N(P) is attributed to a pure;volume effect, this compound is close to the maximum transition;temperature of the Doniach diagram. The transition fields B-M between;the field-induced phases increase linearly with P as well. The;comparable Gruneisen parameters of T-N and B-M indicate that the energy;scale depending on the sample's volume is given by the antiferromagnetic;correlations and not by the Kondo effect. We discuss possible reasons;for the different magnetic behavior of AGF and SF samples.;Huang, Chien-Lung/O-2028-2013;2;0;0;0;2;1098-0121;WOS:000311805500003;;;J;Jadczak, J.;Kubisa, M.;Ryczko, K.;Bryja, L.;Potemski, M.;High magnetic field spin splitting of excitons in asymmetric GaAs;quantum wells;PHYSICAL REVIEW B;86;24;245401;10.1103/PhysRevB.86.245401;DEC 3 2012;2012;Low-temperature photoluminescence from high-quality GaAs quantum wells,;asymmetrically doped with carbon, are investigated under high magnetic;fields (up to 20 T) directed along the [001] growth axis. At higher;fields, in the sigma(-) polarized emission, we observe two well-resolved;lines which are attributed to the recombination of neutral (X) and;charged (X+) excitons. In contrast, only the neutral exciton line is;observed for the sigma(+) polarization. From the difference of the X;line positions for the two polarizations we determine the effective;Zeeman splitting of neutral excitons and then the g factor g(h) of;confined holes. We find that g(h) depends substantially on the well size;and changes the sign at moderate magnetic fields. To explain the;experimental results, the valence Landau levels are calculated using the;Luttinger model beyond the axial approximation. We demonstrate that;mainly the excited hole levels contribute to the excitonic state at;higher magnetic fields. Due to their light-hole character, resulting;from the valence-band mixing, the excited hole states have a sizable;overlap with the electron states confined far from the doped barrier.;The calculated values of g(h) are in an excellent quantitative agreement;with the experimental data.;2;0;0;0;2;1098-0121;WOS:000311806500001;;;J;Lane, Nina J.;Vogel, Sven C.;Hug, Gilles;Togo, Atsushi;Chaput, Laurent;Hultman, Lars;Barsoum, Michel W.;Neutron diffraction measurements and first-principles study of thermal;motion of atoms in select M(n+1)AX(n) and binary MX transition-metal;carbide phases;PHYSICAL REVIEW B;86;21;214301;10.1103/PhysRevB.86.214301;DEC 3 2012;2012;Herein, we compare the thermal vibrations of atoms in select ternary;carbides with the formula M(n+1)AX(n) ("MAX phases," M = Ti, Cr; A = Al,;Si, Ge; X = C, N) as determined from first-principles phonon;calculations to those obtained from high-temperature neutron powder;diffraction studies. The transition metal carbides TiC, TaC, and WC are;also studied to test our methodology on simpler carbides. Good;qualitative and quantitative agreement is found between predicted and;experimental values for the binary carbides. For all the MAX phases;studied-Ti3SiC2, Ti3GeC2, Ti2AlN, Cr2GeC and Ti4AlN3-density functional;theory calculations predict that the A element vibrates with the highest;amplitude and does so anisotropically with a higher amplitude within the;basal plane, which is in line with earlier results from high-temperature;neutron diffraction studies. In some cases, there are quantitative;differences in the absolute values between the theoretical and;experimental atomic displacement parameters (ADPs), such as reversal of;anisotropy or a systematic offset of temperature-dependent ADPs. The;mode-dependent Gruneisen parameters are also computed to explore the;anharmonicity in the system.;Lujan Center, LANL/G-4896-2012;4;0;0;0;4;1098-0121;WOS:000311805500002;;;J;Niemann, R.;Baro, J.;Heczko, O.;Schultz, L.;Faehler, S.;Vives, E.;Manosa, L.;Planes, A.;Tuning avalanche criticality: Acoustic emission during the martensitic;transformation of a compressed Ni-Mn-Ga single crystal;PHYSICAL REVIEW B;86;21;214101;10.1103/PhysRevB.86.214101;DEC 3 2012;2012;The propagation of a phase front during a thermally induced martensitic;transition is discontinuous due to pinning at various defects, an effect;which results in acoustic emission. Here we analyze the consequences of;an applied compressive stress exemplarily on a Ni50.4Mn27.9Ga21.7 single;crystal. Our experiments show that the distribution of the energies of;the acoustic emission events follows a power law for more than three;decades. This indicates that the transition exhibits avalanche;criticality. The exponent characterizing the distribution of energies;depends on the applied stress, and decreases from 1.9 +/- 0.1 at zero;stress to 1.5 +/- 0.2 at stress above 3 MPa. This decrease could be;attributed to the reduced multiplicity of variants possible under;uniaxial compression.;Niemann, Robert/F-3634-2012; Schultz, Ludwig/B-3383-2010; Manosa, Lluis/D-8579-2014; Heczko, Oleg/G-9355-2014; Vives, Eduard/I-4821-2014;Manosa, Lluis/0000-0002-1182-2670; Vives, Eduard/0000-0002-5916-7214;4;0;0;0;4;1098-0121;WOS:000311805500001;;;J;Usui, Hidetomo;Suzuki, Katsuhiro;Kuroki, Kazuhiko;Minimal electronic models for superconducting BiS2 layers;PHYSICAL REVIEW B;86;22;220501;10.1103/PhysRevB.86.220501;DEC 3 2012;2012;We construct minimal electronic models for a newly discovered;superconductor LaO1-xFxBiS2 (T-c = 10.6 K) possessing BiS2 layers based;on a first-principles band calculation. First, we obtain a model;consisting of two Bi 6p and two S 3p orbitals, which give nearly;electron-hole symmetric bands. Further focusing on the bands that;intersect the Fermi level, we obtain a model with two p orbitals. The;two bands (per BiS2 layer) have a quasi-one-dimensional character with a;double minimum dispersion, which gives good nesting of the Fermi;surface. At around x similar to 0.5 the topology of the Fermi surface;changes, so that the density of states at the Fermi level becomes large.;Possible pairing states are discussed.;42;0;0;0;42;1098-0121;WOS:000311805700001;;;J;Cammarata, Antonio;Rondinelli, James M.;Spin-assisted covalent bond mechanism in "charge-ordering" perovskite;oxides;PHYSICAL REVIEW B;86;19;195144;10.1103/PhysRevB.86.195144;NOV 30 2012;2012;First-principles density functional calculations on the metal-insulator;transition (MIT) in perovskite CaFeO3 point to local ferromagnetic;coupling as the microscopic origin for the electronic "charge order";transition. Our atomic, electronic, and magnetic structure analyses;reveal that the MIT results from a spin-assisted covalent bonding;mechanism between the O 2p and Fe 3d states with anisotropic Fe-O bonds;and negligible intersite Fe-Fe charge transfer. We suggest that control;of the lattice distortions, which mediate the covalent bond formation,;in oxides containing late transition-metal row cations in high valence;states provides a platform to tailor electronic transitions.;Rondinelli, James/A-2071-2009; Cammarata, Antonio/A-4883-2014;Rondinelli, James/0000-0003-0508-2175; Cammarata,;Antonio/0000-0002-5691-0682;7;0;0;0;7;1098-0121;WOS:000311715000003;;;J;Clem, John R.;Kogan, V. G.;Kinetic impedance and depairing in thin and narrow superconducting films;PHYSICAL REVIEW B;86;17;174521;10.1103/PhysRevB.86.174521;NOV 30 2012;2012;We use both Eilenberger-Usadel and Ginzburg-Landau (GL) theory to;calculate the superfluid's temperature-dependent kinetic inductance for;all currents up to the depairing current in thin and narrow;superconducting films. The calculations apply to BCS weak-coupling;superconductors with isotropic gaps and transport mean-free paths much;less than the BCS coherence length. The kinetic inductance is calculated;for the response to a small alternating current when the film is;carrying a dc bias current. In the slow-experiment/fast-relaxation;limit, in which the superconducting order parameter quasistatically;follows the time-dependent current, the kinetic inductance diverges as;the bias current approaches the depairing value. However, in the;fast-experiment/slow-relaxiation limit, in which the the superconducting;order parameter remains fixed at a value corresponding to the dc bias;current, the kinetic inductance rises to a finite value at the depairing;current. We then use time-dependent GL theory to calculate the kinetic;impedance of the superfluid, which includes not only the kinetic;reactance, but also the kinetic resistance of the superfluid arising;from dissipation due to order-parameter relaxation. The kinetic;resistance is largest for angular frequencies omega obeying omega tau(s);> 1, where tau(s) is the order-parameter relaxation time, and for bias;currents close to the depairing current. We also include the normal;fluid's contribution to dissipation in deriving an expression for the;total kinetic impedance. The Appendices contain many details about the;temperature-dependent behavior of superconductors carrying current up to;the depairing value.;3;0;0;0;3;1098-0121;WOS:000311714600005;;;J;Cohn, J. L.;Boynton, P.;Trivino, J. S.;Trastoy, J.;White, B. D.;dos Santos, C. A. M.;Neumeier, J. J.;Stoichiometry, structure, and transport in the quasi-one-dimensional;metal Li0.9Mo6O17;PHYSICAL REVIEW B;86;19;195143;10.1103/PhysRevB.86.195143;NOV 30 2012;2012;A correlation between lattice parameters, oxygen composition, and the;thermoelectric and Hall coefficients is presented for single-crystal;Li0.9Mo6O17, a quasi-one-dimensional (Q1D) metallic compound. The;possibility that this compound is a compensated metal is discussed in;light of a substantial variability observed in the literature for these;transport coefficients.;1;0;0;0;1;1098-0121;WOS:000311715000002;;;J;Crepaldi, A.;Ressel, B.;Cilento, F.;Zacchigna, M.;Grazioli, C.;Berger, H.;Bugnon, Ph.;Kern, K.;Grioni, M.;Parmigiani, F.;Ultrafast photodoping and effective Fermi-Dirac distribution of the;Dirac particles in Bi2Se3;PHYSICAL REVIEW B;86;20;205133;10.1103/PhysRevB.86.205133;NOV 30 2012;2012;We exploit time- and angle-resolved photoemission spectroscopy to;determine the evolution of the out-of-equilibrium electronic structure;of the topological insulator Bi2Se3. The response of the Fermi-Dirac;distribution to ultrashort IR laser pulses has been studied by modeling;the dynamics of hot electrons after optical excitation. We disentangle a;large increase in the effective temperature (T*) from a shift of the;chemical potential (mu*), which is consequence of the ultrafast;photodoping of the conduction band. The relaxation dynamics of T* and;mu* are k independent and these two quantities uniquely define the;evolution of the excited charge population. We observe that the energy;dependence of the nonequilibrium charge population is solely determined;by the analytical form of the effective Fermi-Dirac distribution.;14;1;0;0;14;1098-0121;WOS:000311715100007;;;J;Dumlich, Heiko;Reich, Stephanie;Nanotube bundles and tube-tube orientation: A van der Waals density;functional study (vol 84, 064121, 2011);PHYSICAL REVIEW B;86;17;179905;10.1103/PhysRevB.86.179905;NOV 30 2012;2012;0;0;0;0;0;1098-0121;WOS:000311714600007;;;J;Fukutani, Keisuke;Hayashi, Hirokazu;Yakovkin, Ivan N.;Habuchi, Takafumi;Hirayama, Daisuke;Jiang, Jian;Iwasawa, Hideaki;Shimada, Kenya;Losovyj, Ya. B.;Dowben, Peter A.;Enhanced electron-phonon coupling at the Au/Mo(112) surface;PHYSICAL REVIEW B;86;20;205432;10.1103/PhysRevB.86.205432;NOV 30 2012;2012;A detailed investigation of the electronic structure and electron-phonon;coupling for a Au monolayer on the Mo(112) surface is presented. The;electronic states of bulk Mo and the (112) surface-derived states are;seen to strongly hybridize with those of the Au overlayer, resulting in;the formation of surface resonance states localized near the surface and;the interface of Au/Mo(112). The experimentally extracted self-energy;due to the electron-phonon coupling on one of the surface resonance;bands gives a good quantitative agreement with the calculations. The;strength of electron-phonon coupling for Au/Mo(112) is discussed in;terms of the mass enhancement factor and is considerably larger than for;the Mo(112) surface. Such an increase in the mass enhancement factor in;the vicinity of the Fermi level likely derives from the soft surface;phonon modes created upon Au adsorption.;2;0;0;0;2;1098-0121;WOS:000311715100011;;;J;Hamada, Ikutaro;Adsorption of water on graphene: A van der Waals density functional;study;PHYSICAL REVIEW B;86;19;195436;10.1103/PhysRevB.86.195436;NOV 30 2012;2012;The van der Waals density functional (vdW-DF) was used to investigate;the interaction of a water monomer with graphene. It was found that a;variant of vdW-DF [Hamada and Otani, Phys. Rev. B 82, 153412 (2010)];predicts geometries and energetics of water on graphene which are in;good agreement with those obtained using more elaborate random-phase;approximation and quantum Monte Carlo approaches. Interfacial electronic;structures were also analyzed in detail.;Hamada, Ikutaro/E-8040-2010;Hamada, Ikutaro/0000-0001-5112-2452;12;1;0;0;12;1098-0121;WOS:000311715000010;;;J;Hofmann, D.;Kuemmel, S.;Integer particle preference during charge transfer in Kohn-Sham theory;PHYSICAL REVIEW B;86;20;201109;10.1103/PhysRevB.86.201109;NOV 30 2012;2012;We investigate the static and dynamic charge transfer that is triggered;by external electric fields in model molecular wires. A self-interaction;correction in Kohn-Sham density functional theory leads to the desired;integer electron transfers that do not occur with standard functionals;which miss Coulomb blockade effects. Analysis of the multiplicative;exchange-correlation potential in stationary cases and during real-time;propagation shows how the local exchange-correlation potential builds up;step and reverse-step structures that enforce the integer particle;preference. The role of spin-symmetry breaking is discussed.;Kummel, Stephan/K-5634-2014;8;0;0;0;8;1098-0121;WOS:000311715100002;;;J;Illg, Christian;Meyer, Bernd;Faehnle, Manfred;Frequencies and polarization vectors of phonons: Results from force;constants which are fitted to experimental data or calculated ab initio;PHYSICAL REVIEW B;86;17;174309;10.1103/PhysRevB.86.174309;NOV 30 2012;2012;The properties of phonons may be calculated from the dynamical matrix;which is determined by force constants. Often the force constants are;obtained by fitting them to experimental phonon frequencies, e. g., for;wave vectors q on high-symmetry directions of the Brillouin zone. It is;well known that these force constants do not necessarily lead to correct;frequencies for wave vectors for nonsymmetrical q and to correct;polarization vectors. In the present paper this is demonstrated by;comparing for fcc Ni, fcc Al, and bcc Fe the frequencies and;polarization vectors calculated from fitted force constants with the;results from ab initio calculated force constants. However, for most;regions of the Brillouin zone the differences between the results;obtained from the two sets of force constants are not large.;1;0;0;0;1;1098-0121;WOS:000311714600003;;;J;Iori, Federico;Rodolakis, Fanny;Gatti, Matteo;Reining, Lucia;Upton, M.;Shvyd'ko, Y.;Rueff, Jean-Pascal;Marsi, Marino;Low-energy excitations in strongly correlated materials: A theoretical;and experimental study of the dynamic structure factor in V2O3;PHYSICAL REVIEW B;86;20;205132;10.1103/PhysRevB.86.205132;NOV 30 2012;2012;This work contains an experimental and theoretical study of the dynamic;structure factor at large momentum transfer vertical bar Q vertical bar;similar to 4 angstrom(-1) of the strongly correlated transition-metal;oxide V2O3. We focus in particular on the transitions between d states;that give rise to the spectra below 6 eV. We show that the main peak in;this energy range is mainly due to t(2g) -> e(g)(sigma) transitions, and;that it carries a signature of the phase transition between the;paramagnetic insulator and the paramagnetic metal that can already be;understood from the joint density of states calculated at the level of;the static local density approximation. Instead, in order to obtain;theoretical spectra that are overall similar to the measured ones, we;have to go beyond the static approximation and include at least crystal;local field effects. The latter turn out to be crucial in order to;eliminate a spurious peak and hence allow a safe comparison between;theory and experiment, including an analysis of the strong anisotropy of;the spectra.;CSIC-UPV/EHU, CFM/F-4867-2012; Iori, Federico/E-5372-2013; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Iori, Federico/0000-0002-7677-3435;;4;0;0;0;4;1098-0121;WOS:000311715100006;;;J;Kharitonov, Maxim;Antiferromagnetic state in bilayer graphene;PHYSICAL REVIEW B;86;19;195435;10.1103/PhysRevB.86.195435;NOV 30 2012;2012;Motivated by the recent experiment of Velasco Jr. et al. [J. Velasco Jr.;et al., Nat. Nanotechnology 7, 156 (2012)], we develop a mean-field;theory of the interaction-induced antiferromagnetic (AF) state in;bilayer graphene at charge neutrality point at arbitrary perpendicular;magnetic field B. We demonstrate that the AF state can persist at all B.;At higher B, the state continuously crosses over to the AF phase of the;nu = 0 quantum Hall ferromagnet, recently argued to be realized in the;insulating nu = 0 state. The mean-field quasiparticle gap is finite at B;= 0 and grows with increasing B, becoming quasilinear in the quantum;Hall regime, in accord with the reported behavior of the transport gap.;By adjusting the two free parameters of the model, we obtain a;simultaneous quantitative agreement between the experimental and;theoretical values of the key parameters of the gap dependence-its;zero-field value and slope at higher fields. Our findings suggest that;the insulating state observed in bilayer graphene in Ref. 1 is;antiferromagnetic (canted, once the Zeeman effect is taken into account);at all magnetic fields.;19;1;0;0;19;1098-0121;WOS:000311715000009;;;J;Klos, J. W.;Kumar, D.;Romero-Vivas, J.;Fangohr, H.;Franchin, M.;Krawczyk, M.;Barman, A.;Effect of magnetization pinning on the spectrum of spin waves in;magnonic antidot waveguides;PHYSICAL REVIEW B;86;18;184433;10.1103/PhysRevB.86.184433;NOV 30 2012;2012;We study the spin-wave spectra in magnonic antidot waveguides (MAWs) for;two limiting cases (strong and negligible) of the surface anisotropy at;the ferromagnet/air interface. The MAWs under investigation have the;form of a thin stripe of permalloy with a single row of periodically;arranged antidots in the middle. The introduction of a magnetization;pinning at the edges of the permalloy stripe and the edges of antidots;is found to modify the spin-wave spectrum. This effect is shown to be;necessary for magnonic gaps to open in the considered systems. Our study;demonstrates that the surface anisotropy can be crucial in the practical;applications of MAWs and related structures and in the interpretation of;experimental results in one-and two-dimensional magnonic crystals. We;used three different numerical methods, i.e., plane waves method (PWM),;finite difference method, and finite element method to validate the;results. We showed that PWM in the present formulation assumes pinned;magnetization, while in micromagnetic simulations special care must be;taken to introduce pinning.;Fangohr, Hans/C-6367-2008; Klos, Jaroslaw/G-9728-2012;Fangohr, Hans/0000-0001-5494-7193; Klos, Jaroslaw/0000-0002-5858-2950;13;2;0;0;13;1098-0121;WOS:000311714700002;;;J;Kolata, K.;Koester, N. S.;Chernikov, A.;Drexler, M. J.;Gatti, E.;Cecci, S.;Chrastina, D.;Isella, G.;Guzzi, M.;Chatterjee, S.;Dephasing in Ge/SiGe quantum wells measured by means of coherent;oscillations;PHYSICAL REVIEW B;86;20;201303;10.1103/PhysRevB.86.201303;NOV 30 2012;2012;We present a dephasing time analysis of the excitonic resonances in;Ge/SiGe quantum wells for various lattice temperatures by coherent;oscillation spectroscopy (COS). The results are compared to the;linewidths of the excitonic resonances determined from linear absorption;measurements. Additionally, COS is applied to different samples with;varying linewidth, identifying one sample with a dominating;homogeneously broadened 1s excitonic resonance down to 7 K.;Chatterjee, Sangam/E-3124-2012;2;0;0;0;2;1098-0121;WOS:000311715100003;;;J;Lang, Li-Jun;Chen, Shu;Majorana fermions in density-modulated p-wave superconducting wires;PHYSICAL REVIEW B;86;20;205135;10.1103/PhysRevB.86.205135;NOV 30 2012;2012;We study the p-wave superconducting wire with a periodically modulated;chemical potential and show that the Majorana edge states are robust;against the periodic modulation. We find that the critical amplitude of;modulated potential, at which the Majorana edge fermions and topological;phase disappear, strongly depends on the phase shifts. For some specific;values of the phase shift, the critical amplitude tends to infinity. The;existence of Majorana edge fermions in the open chain can be;characterized by a topological Z(2) invariant of the bulk system, which;can be applied to determine the phase boundary between the topologically;trivial and nontrivial superconducting phases. We also demonstrate the;existence of the zero-energy peak in the spectral function of the;topological superconducting phase, which is only sensitive to the open;boundary condition but robust against the disorder.;Lang, Li-Jun/C-2815-2014;Lang, Li-Jun/0000-0001-6038-8340;11;0;0;0;11;1098-0121;WOS:000311715100009;;;J;Lazicki, Amy;Dewaele, Agnes;Loubeyre, Paul;Mezouar, Mohamed;High-pressure-temperature phase diagram and the equation of state of;beryllium;PHYSICAL REVIEW B;86;17;174118;10.1103/PhysRevB.86.174118;NOV 30 2012;2012;X-ray diffraction of beryllium in a laser-heated diamond anvil cell;provides experimental insight into its behavior at high pressure and;temperature. We measure the cold compression of Be in helium and NaCl;pressure media up 192 GPa, and its thermal expansion up to 82 GPa and;2630 K. The new measurements form a P-V-T data set which is fit by the;Vinet-Debye form to establish a Be experimental equation of state. We;compare the results to several theoretical models. The crystal structure;of Be is determined up to 205 GPa and 4000 K; no evidence for the;predicted high-temperature transition to a cubic phase is found.;Finally, the maximum temperature stability of the solid phase along;isobaric heating ramps gives a lower bound for the melting curve.;5;0;0;0;5;1098-0121;WOS:000311714600002;;;J;Li, J.;Ekuma, C. E.;Vekhter, I.;Jarrell, M.;Moreno, J.;Stadler, S.;Karki, A. B.;Jin, R.;Physical properties of Ba2Mn2Sb2O single crystals;PHYSICAL REVIEW B;86;19;195142;10.1103/PhysRevB.86.195142;NOV 30 2012;2012;We report both experimental and theoretical investigations of the;physical properties of Ba2Mn2Sb2O single crystals. This material;exhibits a hexagonal structure with lattice constants a = 4.7029(15) A;and c = 19.9401(27) A, as obtained from powder x-ray diffraction;measurements, and in agreement with structural optimization through;density functional theory (DFT) calculations. The magnetic;susceptibility and specific heat show anomalies at T-N = 60 K,;consistent with antiferromagnetic ordering. However, the magnitude of;T-N is significantly smaller than the Curie-Weiss temperature (vertical;bar Theta(CW)vertical bar approximate to 560 K), suggesting a magnetic;system of reduced dimensionality. The temperature dependence of both the;in-plane and out-of-plane resistivity changes from activated at T > T-x;similar to 200 K to logarithmic at T < T-x. Correspondingly, the;magnetic susceptibility displays a bump at T-x. DFT calculations at the;DFT + U level support the experimental observation of an;antiferromagnetic ground state.;Vekhter, Ilya/M-1780-2013; Moreno, Juana/D-5882-2012;0;0;0;0;0;1098-0121;WOS:000311715000001;;;J;Mafra, D. L.;Kong, J.;Sato, K.;Saito, R.;Dresselhaus, M. S.;Araujo, P. T.;Using gate-modulated Raman scattering and electron-phonon interactions;to probe single-layer graphene: A different approach to assign phonon;combination modes;PHYSICAL REVIEW B;86;19;195434;10.1103/PhysRevB.86.195434;NOV 30 2012;2012;Gate-modulated and laser-dependent Raman spectroscopy have been widely;used to study q = 0 zone center phonon modes, their self-energy, and;their coupling to electrons in graphene systems. In this work we use;gate-modulated Raman of q not equal 0 phonons as a technique to;understand the nature of five second-order Raman combination modes;observed in the frequency range of 1700-2300 cm(-1) of single-layer;graphene (SLG). Anomalous phonon self-energy renormalization phenomena;are observed in all five combination modes within this intermediate;frequency region, which can clearly be distinguished from one another.;By combining the anomalous phonon renormalization effect with the double;resonance Raman theory, which includes both phonon dispersion relations;and angular dependence of the electron-phonon scattering matrix;elements, and by comparing it to the experimentally obtained phonon;dispersion, measured by using different laser excitation energies, we;can assign each Raman peak to the proper phonon combination mode. This;approach should also shed light on the understanding of more complex;structures such as few-layer graphene (FLG) and its stacking orders as;well as other two-dimensional (2D)-like materials.;Sato, Kentaro/B-7163-2008; Saito, Riichiro/B-1132-2008;Sato, Kentaro/0000-0001-6706-2175;;5;2;1;0;5;1098-0121;WOS:000311715000008;;;J;Mazza, Giacomo;Fabrizio, Michele;Dynamical quantum phase transitions and broken-symmetry edges in the;many-body eigenvalue spectrum;PHYSICAL REVIEW B;86;18;184303;10.1103/PhysRevB.86.184303;NOV 30 2012;2012;Many-body models undergoing a quantum phase transition to a;broken-symmetry phase that survives up to a critical temperature must;possess, in the ordered phase, symmetric as well as nonsymmetric;eigenstates. We predict, and explicitly show in the fully connected;Ising model in a transverse field, that these two classes of eigenstates;do not overlap in energy, and therefore that an energy edge exists;separating low-energy symmetry-breaking eigenstates from high-energy;symmetry-invariant ones. This energy is actually responsible, as we;show, for the dynamical phase transition displayed by this model under a;sudden large increase of the transverse field. A second situation we;consider is the opposite, where the symmetry-breaking eigenstates are;those in the high-energy sector of the spectrum, whereas the low-energy;eigenstates are symmetric. In that case too a special energy must exist;marking the boundary and leading to unexpected out-of-equilibrium;dynamical behavior. An example is the fermonic repulsive Hubbard model;Hamiltonian H. Exploiting the trivial fact that the high-energy spectrum;of H is also the low-energy one of -H, we conclude that the high-energy;eigenstates of the Hubbard model are superfluid. Simulating in a;time-dependent Gutzwiller approximation the time evolution of a;high-energy BCS-like trial wave function, we show that a small;superconducting order parameter will actually grow in spite of the;repulsive nature of the interaction.;fabrizio, michele/N-3762-2014;2;0;0;0;2;1098-0121;WOS:000311714700001;;;J;Mueller, T.;Aharonovich, I.;Wang, Z.;Yuan, X.;Castelletto, S.;Prawer, S.;Atatuere, M.;Phonon-induced dephasing of chromium color centers in diamond;PHYSICAL REVIEW B;86;19;195210;10.1103/PhysRevB.86.195210;NOV 30 2012;2012;We report on the coherence properties of single photons from;chromium-based color centers in diamond. We use field-correlation and;spectral line-shape measurements to reveal the interplay between slow;spectral wandering and fast dephasing mechanisms as a function of;temperature. The zero-phonon transition frequency and its linewidth;follow a power-law dependence on temperature, which is consistent with;direct electron-phonon coupling and phonon-modulated Coulomb coupling to;nearby impurities, which are the predominant fast dephasing mechanisms;for these centers. Further, the observed reduction in the quantum yield;for photon emission as a function of temperature suggests the opening of;additional nonradiative channels through thermal activation to;higher-energy states and indicates a near-unity quantum efficiency at 4;K.;castelletto, stefania/G-1516-2011; McKenzie, Warren/J-2137-2014;3;0;0;0;3;1098-0121;WOS:000311715000007;;;J;Murthy, Ganpathy;Shankar, R.;Hamiltonian theory of fractionally filled Chern bands;PHYSICAL REVIEW B;86;19;195146;10.1103/PhysRevB.86.195146;NOV 30 2012;2012;There is convincing numerical evidence that fractional quantum-Hall-like;ground states arise in fractionally filled Chern bands. Here, we show;that the Hamiltonian theory of composite fermions (CF) can be as useful;in describing these states as it was in describing the fractional;quantum Hall effect (FQHE) in the continuum. We are able to introduce;CFs into the fractionally filled Chern-band problem in two stages.;First, we construct an algebraically exact mapping which expresses the;electron density projected to the Chern band rho(FCB) as a sum of;Girvin-MacDonald-Platzman density operators rho(GMP) that obey the;magnetic translation algebra. Next, following our Hamiltonian treatment;of the FQH problem, we rewrite the operators rho(GMP) in terms of CF;variables which reproduce the same algebra. This naturally produces a;unique Hartree-Fock ground state for the CFs, which can be used as a;springboard for computing gaps, response functions,;temperature-dependent phenomena, and the influence of disorder. We give;two concrete examples, one of which has no analog in the continuum FQHE;with nu = 1/5 and sigma(xy) = 2/5. Our approach can be easily extended;to fractionally filled, strongly interacting two-dimensional;time-reversal-invariant topological insulators.;15;0;0;0;15;1098-0121;WOS:000311715000005;;;J;Ovsyannikov, Sergey V.;Morozova, Natalia V.;Karkin, Alexander E.;Shchennikov, Vladimir V.;High-pressure cycling of hematite alpha-Fe2O3: Nanostructuring, in situ;electronic transport, and possible charge disproportionation;PHYSICAL REVIEW B;86;20;205131;10.1103/PhysRevB.86.205131;NOV 30 2012;2012;We studied electronic transport properties of hematite (alpha-Fe2O3) at;room temperature under cycling of high pressure up to similar to 22 GPa.;The original samples and those recovered after high-pressure experiments;were examined by x-ray diffraction and Raman and optical absorption;spectroscopy. At ambient pressure the original samples were also;characterized by temperature measurements of electrical and;galvanomagnetic properties. Upon compression, the original single;crystals underwent a sluggish structural deconfinement starting above 5;GPa into a nanometric state. Above 5-7 GPa, the nanostructured hematite;showed a reversible transition to a state with enhanced electrical;conductivity and moderate values of thermoelectric power (Seebeck;effect) of about -150 mu V/K. This electronic phase corresponds to;neither conventional trivalent oxidation state of the iron ions in;hematite nor metallic conductivity. Analysis of the electronic transport;data in the frameworks of two models, of polaron hopping, and of;intrinsic semiconductor conductivity, revealed a change from the;electron conductivity to two-band electrical conductivity and suggested;that the observed enhancement of the electrical properties in;nanocrystalline alpha-Fe2O3 above 5-7 GPa is related to the;mixed-valence state of the iron ions. Since alpha-Fe2O3 is believed to;undergo a "spin-flop" (Morin) transition near 2-5 GPa at room;temperature, we discuss potential contributions of magnetoelastic and;other effects to the observed high-pressure properties of hematite.;Ovsyannikov, Sergey/J-7802-2012; Morozova, Natalia/J-3568-2013; Karkin, Alexander/J-6712-2013; Shchennikov, Vladimir/J-8533-2013;Morozova, Natalia/0000-0002-2377-1372; Karkin,;Alexander/0000-0003-0464-4762; Shchennikov, Vladimir/0000-0003-2887-1652;4;0;0;0;4;1098-0121;WOS:000311715100005;;;J;Pielawa, Susanne;Berg, Erez;Sachdev, Subir;Frustrated quantum Ising spins simulated by spinless bosons in a tilted;lattice: From a quantum liquid to antiferromagnetic order;PHYSICAL REVIEW B;86;18;184435;10.1103/PhysRevB.86.184435;NOV 30 2012;2012;We study spinless bosons in a decorated square lattice with a;near-diagonal tilt. The resonant subspace of the tilted Mott insulator;is described by an effective Hamiltonian of frustrated quantum Ising;spins on a nonbipartite lattice. This generalizes an earlier proposal;for the unfrustrated quantum Ising model in one dimension which was;realized in a recent experiment on ultracold Rb-87 atoms in an optical;lattice. Very close to diagonal tilt, we find a quantum liquid state;which is continuously connected to the paramagnet. Frustration can be;reduced by increasing the tilt angle away from the diagonal, and the;system undergoes a transition to an antiferromagnetically ordered state.;Using quantum Monte Carlo simulations and exact diagonalization, we find;that for realistic system sizes the antiferromagnetic order appears to;be quasi-one-dimensional, however, in the thermodynamic limit the order;is two-dimensional.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;1;0;0;0;1;1098-0121;WOS:000311714700004;;;J;Popov, V. V.;Polischuk, O. V.;Davoyan, A. R.;Ryzhii, V.;Otsuji, T.;Shur, M. S.;Plasmonic terahertz lasing in an array of graphene nanocavities;PHYSICAL REVIEW B;86;19;195437;10.1103/PhysRevB.86.195437;NOV 30 2012;2012;We propose a novel concept of terahertz lasing based on stimulated;generation of plasmons in a planar array of graphene resonant;micro/nanocavities strongly coupled to terahertz radiation. Due to the;strong plasmon confinement and superradiant nature of terahertz emission;by the array of plasmonic nanocavities, the amplification of terahertz;waves is enhanced by many orders of magnitude at the plasmon resonance;frequencies. We show that the lasing regime is ensured by the balance;between the plasmon gain and plasmon radiative damping.;Davoyan, Artur/K-8567-2013;Davoyan, Artur/0000-0002-4662-1158;15;0;0;0;15;1098-0121;WOS:000311715000011;;;J;Romanov, Sergei G.;Vogel, Nicolas;Bley, Karina;Landfester, Katharina;Weiss, Clemens K.;Orlov, Sergej;Korovin, Alexander V.;Chuiko, Gennady P.;Regensburger, Alois;Romanova, Alexandra S.;Kriesch, Arian;Peschel, Ulf;Probing guided modes in a monolayer colloidal crystal on a flat metal;film;PHYSICAL REVIEW B;86;19;195145;10.1103/PhysRevB.86.195145;NOV 30 2012;2012;Two-dimensional slab hybrid metal-dielectric photonic crystals, which;are prepared by assembling polymer colloidal spheres into closely packed;monolayers of hexagonal symmetry on a gold-coated glass substrate, show;an improved confinement of light compared with a colloidal monolayer on;a glass substrate. We demonstrated that the optical response of such;hybrid crystals consists of diffractively coupled waveguiding modes,;Fabry-Perot resonances, and Mie resonances. Correspondingly, two major;mechanisms, namely, band transport and hopping of localized excitations,;participate in the in-plane light transport in such hybrid crystals.;Weiss, Clemens/C-9932-2009; Peschel, Ulf/C-3356-2013; Romanov, Sergei/H-6868-2013; Kriesch, Arian/A-7337-2011;Weiss, Clemens/0000-0001-8559-0385; Romanov, Sergei/0000-0003-0546-9505;;Kriesch, Arian/0000-0002-8347-0344;6;1;0;0;6;1098-0121;WOS:000311715000004;;;J;Schoop, Leslie;Muechler, Lukas;Schmitt, Jennifer;Ksenofontov, Vadim;Medvedev, Sergey;Nuss, Juergen;Casper, Frederick;Jansen, Martin;Cava, R. J.;Felser, Claudia;Effect of pressure on superconductivity in NaAlSi;PHYSICAL REVIEW B;86;17;174522;10.1103/PhysRevB.86.174522;NOV 30 2012;2012;The ternary superconductor NaAlSi, isostructural with LiFeAs, the "111";iron pnictide superconductor, is investigated under pressure. The;structure remains stable up to 15 GPa. Resistivity and susceptibility;measurements show an increase of T-c up to 2 GPa, followed by a decrease;until superconductivity disappears at 4.8 GPa. Band structure;calculations show that pressure should have a negligible effect on the;electronic structure and the Fermi surface and thus the disappearance of;superconductivity under pressure must have a different origin. We;compare the electronic structure of NaAlSi under pressure with that of;nonsuperconducting isostructural NaAlGe.;Felser, Claudia/A-5779-2009; Casper, Frederick/A-5782-2009; Nuss, Juergen/G-2711-2010; Muchler, Lukas/A-4628-2013; Schoop, Leslie/A-4627-2013;Nuss, Juergen/0000-0002-0679-0184; Schoop, Leslie/0000-0003-3459-4241;1;0;0;0;1;1098-0121;WOS:000311714600006;;;J;Schwier, E. F.;Scherwitzl, R.;Vydrova, Z.;Garcia-Fernandez, M.;Gibert, M.;Zubko, P.;Garnier, M. G.;Triscone, J. -M.;Aebi, P.;Unusual temperature dependence of the spectral weight near the Fermi;level of NdNiO3 thin films;PHYSICAL REVIEW B;86;19;195147;10.1103/PhysRevB.86.195147;NOV 30 2012;2012;We investigate the behavior of the spectral weight near the Fermi level;of NdNiO3 thin films as a function of temperature across the;metal-to-insulator transition (MIT) by means of ultraviolet;photoelectron spectroscopy. The spectral weight was found to exhibit;thermal hysteresis, similar to that of the dc conductivity. A detailed;analysis of the temperature dependence reveals two distinct regimes of;spectral loss close to the Fermi level. The temperature evolution of one;regime is found to be independent of the MIT.;Garcia-Fernandez, Mirian/B-6018-2013; Zubko, Pavlo/B-5496-2009;Zubko, Pavlo/0000-0002-7330-3163;2;0;0;0;2;1098-0121;WOS:000311715000006;;;J;Sen, Arnab;Damle, Kedar;Moessner, R.;Vacancy-induced spin textures and their interactions in a classical spin;liquid;PHYSICAL REVIEW B;86;20;205134;10.1103/PhysRevB.86.205134;NOV 30 2012;2012;Motivated by experiments on the archetypal frustrated magnet;SrCr9pGa12-9pO19 (SCGO), we study the classical Heisenberg model on the;pyrochlore slab (kagome bilayer) lattice with site dilution x = 1 - p.;This allows us to address generic aspects of the physics of nonmagnetic;vacancies in a classical spin liquid. We explicitly demonstrate that the;pure (x = 0) system remains a spin liquid down to the lowest;temperatures, with an unusual nonmonotonic temperature dependence of the;susceptibility, which even turns diamagnetic for the apical spins;between the two kagome layers. For x > 0 but small, the low-temperature;magnetic response of the system is most naturally described in terms of;the properties of spatially extended spin textures that cloak an;"orphan" S = 3/2 Cr3+ spin in direct proximity to a pair of missing;sites belonging to the same triangular simplex. In the T -> 0 limit,;these orphan-texture complexes each carry a net magnetization that is;exactly half the magnetic moment of an individual spin of the undiluted;system. Furthermore, we demonstrate that they interact via an entropic;temperature-dependent pairwise exchange interaction J(eff) (T,(r) over;right arrow) similar to T J ((r) over right arrow root T) that has a;logarithmic form at short distances and decays exponentially beyond a;thermal correlation length xi(T) similar to 1/root T. The sign of J(eff);depends on whether the two orphan spins belong to the same kagome layer;or not. We provide a detailed analytical account of these properties;using an effective field theory approach specifically tailored for the;problem at hand. These results are in quantitative agreement with;large-scale Monte Carlo numerics.;3;1;0;0;3;1098-0121;WOS:000311715100008;;;J;Solanki, Ravindra Singh;Mishra, S. K.;Senyshyn, Anatoliy;Ishii, I.;Moriyoshi, Chikako;Suzuki, Takashi;Kuroiwa, Yoshihiro;Pandey, Dhananjai;
7:1:28:24 Constraints on the possible long-range orbital ordering in LaCoO3
DOI:10.1016/j.jmmm.2013.09.001 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:0 AU: Phelan, D.;
7:1:28:25 Phase transformation in relaxor-ferroelectric single crystal [Pb(Sc1/2Nb1/2)O-3](0.58)-[PbTiO3](0.42)
DOI:10.1557/jmr.2014.87 JN:JOURNAL OF MATERIALS RESEARCH PY:2014 TC:1 AU: Rajasekaran, Shanmugam Velu;Achary, Srungarpu Nagabhusan;Patwe, Sadequa J.;Jayavel, Ramasamy;Mangamma, Garamilla;Tyagi, Ashok Kumar;
7:1:28:26 Crystal Structure Determinations of Zr Rich-PbZr1-xTixO3
DOI:10.1080/00150193.2011.577330 JN:FERROELECTRICS PY:2011 TC:3 AU: Yokota, H.;Zhang, N.;Thomas, P. A.;Glazer, A. M.;
7:1:29:1 Lead-Free Relaxor Ferroelectrics
DOI:10.1111/j.1551-2916.2011.04952.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:108 AU: Shvartsman, Vladimir V.;Lupascu, Doru C.;
7:1:29:2 Giant electrostrains accompanying the evolution of a relaxor behavior in Bi(Mg,Ti)O-3-PbZrO3-PbTiO3 ferroelectric ceramics
DOI:10.1016/j.actamat.2013.02.055 JN:ACTA MATERIALIA PY:2013 TC:15 AU: Fu, Jian;Zuo, Ruzhong;
7:1:29:3 Dielectric Relaxor Evolution and Frequency-Insensitive Giant Strains in (Bi0.5Na0.5)TiO3-Modified Bi(Mg0.5Ti0.5)O3-PbTiO3 Ferroelectric Ceramics
DOI:10.1111/jace.12841 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:5 AU: Zhao, Wanli;Zuo, Ruzhong;Zheng, Donggeng;Li, Longtu;
7:1:29:4 Temperature-insensitive large electro strains and electric field induced intermediate phases in (0.7-x)Bi(Mg1/2Ti1/2)O-3-xPb(Mg1/3Nb2/3)O-3-0.3PbTiO(3) ceramics
DOI:10.1016/j.jeurceramsoc.2014.07.017 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:3 AU: Zhao, Wanli;Zuo, Ruzhong;Fu, Jian;
7:1:29:5 Structure, piezoelectric, and ferroelectric properties of BaZrO3 substituted Bi(Mg1/2Ti1/2)O-3-PbTiO3 perovskite
DOI:10.1063/1.4722286 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:10 AU: Fan, Longlong;Chen, Jun;Kang, Huajun;Liu, Laijun;Fang, Liang;Deng, Jinxia;Yu, Ranbo;Xing, Xianran;
7:1:29:6 Enhanced piezoelectric and antiferroelectric properties of high-T-C perovskite of Zr-substituted Bi(Mg1/2Ti1/2)O-3-PbTiO3
DOI:10.1063/1.4755790 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:11 AU: Chen, Jun;Li, Jianyong;Fan, Longlong;Zou, Ning;Ji, Pengfei;Liu, Laijun;Fang, Liang;Kang, Huajun;Xing, Xianran;
7:1:29:7 Static and dynamic polar nanoregions in relaxor ferroelectric Ba(Ti1-xSnx)O-3 system at high temperature
DOI:10.1103/PhysRevB.85.014118 JN:PHYSICAL REVIEW B PY:2012 TC:11 AU: Xie, L.;Li, Y. L.;Yu, R.;Cheng, Z. Y.;Wei, X. Y.;Yao, X.;Jia, C. L.;Urban, K.;Bokov, A. A.;Ye, Z. -G.;Zhu, J.;
7:1:29:8 Structural, dielectric, ferroelectric and strain properties in CaZrO3-modified Bi(Mg0.5Ti0.5)O-3-PbTiO3 solid solutions
DOI:10.1016/j.jallcom.2013.12.229 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:1 AU: Zhao, Wanli;Zuo, Ruzhong;Li, Feng;Li, Longtu;
7:1:29:9 Phase transition behavior and electrical properties of lead-free (Bi0.5K0.5)TiO3-LiNbO3 relaxor ferroelectric ceramics
DOI:10.1016/j.ceramint.2012.06.084 JN:CERAMICS INTERNATIONAL PY:2013 TC:7 AU: Zuo, Wenwu;Zuo, Ruzhong;Zhao, Wanli;
7:1:29:10 Preparation and Characterization of High-Temperature Ferroelectric xBi(Mg1/2Ti1/2)O3-yBi(Zn1/2Ti1/2)O3-zPbTiO3 Perovskite Ternary Solid Solution
DOI:10.1111/j.1551-2916.2011.04721.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:3 AU: Dwivedi, Akansha;Qu, Weiguo;Randall, Clive A.;
7:1:29:11 Thermal history induced variable relaxor behavior in the high T-C ternary ferroelectric 0.6Bi(Mg1/2Ti1/2)O-3-0.05Bi(Zn1/2Ti1/2)O-3-0.35PbTiO(3)
DOI:10.1016/j.matlet.2011.06.072 JN:MATERIALS LETTERS PY:2011 TC:2 AU: Dwivedi, Akansha;Randall, Clive A.;Rossetti, George A., Jr.;
7:1:29:12 Relaxor Characteristics of the Phase Transformation in (1-x)BaTiO3-xBi (Zn1/2Ti1/2)O-3 Perovskite Ceramics
DOI:10.1111/jace.12495 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:8 AU: Triamnak, Narit;Yimnirun, Rattikorn;Pokorny, Jan;Cann, David P.;
7:1:30:1 The Antiferroelectric <-> Ferroelectric Phase Transition in Lead-Containing and Lead-Free Perovskite Ceramics
DOI:10.1111/j.1551-2916.2011.04917.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:58 AU: Tan, Xiaoli;Ma, Cheng;Frederick, Joshua;Beckman, Sarah;Webber, Kyle G.;
7:1:30:2 Electric-field-induced antiferroelectric to ferroelectric phase transition in mechanically confined Pb0.99Nb0.02[(Zr0.57Sn0.43)(0.94)Ti-0.06](0.98)O-3
DOI:10.1103/PhysRevB.81.014103 JN:PHYSICAL REVIEW B PY:2010 TC:23 AU: Tan, X.;Frederick, J.;Ma, C.;Aulbach, E.;Marsilius, M.;Hong, W.;Granzow, T.;Jo, W.;Roedel, J.;
7:1:30:3 Strains and Polarization During Antiferroelectric-Ferroelectric Phase Switching in Pb0.99Nb0.02[(Zr0.57Sn0.43)(1-y)Ti-y](0.98)O-3 Ceramics
DOI:10.1111/j.1551-2916.2010.04194.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:23 AU: Frederick, Joshua;Tan, Xiaoli;Jo, Wook;
7:1:30:4 Can an Electric Field Induce an Antiferroelectric Phase Out of a Ferroelectric Phase?
DOI:10.1103/PhysRevLett.105.255702 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:19 AU: Tan, X.;Frederick, J.;Ma, C.;Jo, W.;Roedel, J.;
7:1:30:5 Mechanical Confinement: An Effective Way of Tuning Properties of Piezoelectric Crystals
DOI:10.1002/adfm.201101301 JN:ADVANCED FUNCTIONAL MATERIALS PY:2012 TC:20 AU: Marsilius, Mie;Frederick, Josh;Hu, Wei;Tan, Xiaoli;Granzow, Torsten;Han, Pengdi;
7:1:30:6 Antiferroelectricity induced by electric field in NaNbO3-based lead-free ceramics
DOI:10.1063/1.4863850 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Xu, Yonghao;Hong, Wei;Feng, Yujun;Tan, Xiaoli;
7:1:30:7 Transformation toughening in an antiferroelectric ceramic
DOI:10.1016/j.actamat.2013.09.038 JN:ACTA MATERIALIA PY:2014 TC:3 AU: Tan, X.;Young, S. E.;Seo, Y. H.;Zhang, J. Y.;Hong, W.;Webber, K. G.;
7:1:30:8 Mechanical self-confinement to enhance energy storage density of antiferroelectric capacitors
DOI:10.1063/1.4790135 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:12 AU: Young, S. E.;Zhang, J. Y.;Hong, W.;Tan, X.;
7:1:30:9 A technique for giant mechanical energy harvesting using ferroelectric/antiferroelectric materials
DOI:10.1063/1.4866877 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:11 AU: Patel, Satyanarayan;Chauhan, Aditya;Vaish, Rahul;
7:1:30:10 Effect of Ba Content on the Stress Sensitivity of the Antiferroelectric to Ferroelectric Phase Transition in (Pb,La,Ba,)(Zr,Sn,Ti)O-3 Ceramics
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7:1:30:11 Effect of compositional variations on phase transition and electric field-induced strain of (Pb, Ba) (Nb, Zr, Sn, Ti)O-3 ceramics
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7:1:30:12 Self-generated electric field suppressing the ferroelectric to antiferroelectric phase transition in ferroelectric ceramics under shock wave compression
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7:1:30:13 Phenomenological theory of electric-field-induced phase transition behavior of antiferroelectric ceramic (Pb,Ba,La)(Zr,Sn,Ti)O-3 under uniaxial compressive pre-stress
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7:1:30:14 Enhanced performances of sandwich structure Pb-0.99(Zr0.95Ti0.05)(0.98)Nb0.02O3 ferroelectric ceramics for pulsed power application
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7:1:30:15 Effect of Barium Additions on Dielectric Properties and Phase Transitions in (Pb, La)(Zr, Sn, Ti)O3 Antiferroelectric Ceramics
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7:1:30:16 Softening of antiferroelectricity in PbZrO3-Pb(Mn1/2W1/2)O-3 complex perovskite solid solution
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7:1:30:17 Study of Antiferroelectric PbZrO3-Pb(M1/2W1/2)O-3 (M = Mg, Zn & Mn) Complex Perovskite Solid Solutions
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7:1:30:18 Study on the Dielectric Properties of 0.75Pb(Mg1/3Nb2/3)O3-0.25PbTiO3 Ceramic Under Hydrostatic Pressure
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7:1:30:19 Electric response of Pb-0.99 [(Zr0.90Sn0.10)(0.968)Ti-0.032](0.98)Nb0.02O3 ceramics to the shock-wave-induced ferroelectric-to-antiferroelectric phase transition
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7:1:30:20 Comparative study on the phase transitions in PZT-based ceramics by mechanical and dielectric analyses
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7:1:31:1 Electrically tunable dielectric materials and strategies to improve their performances
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7:1:31:2 Ultraviolet assisted processing: A unique approach to mitigate oxygen vacancies and attain low loss highly tunable Ba0.60Sr0.40TiO3 thin films
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7:1:31:3 Phase transition, high figure of merit and polar nano-regions in dielectric tunable lanthanum substituted barium titanate
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7:1:31:4 Modified tunable dielectric properties by addition of MgO on BaZr0.25Ti0.75O3 ceramics
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7:1:31:5 Fabrication and characterization of iron and fluorine co-doped BST thin films for microwave applications
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7:1:31:6 Piezoelectric, ferroelectric and dielectric properties of Sm2O3-doped (Bi-0 Na-5(0) (5))(0) Ba-94(0) 061TiO3 lead-free ceramics
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7:1:31:7 Dielectric nonlinearity and electrical properties of K0.5Na0.5NbO3-SrTiO3 relaxor ferroelectrics
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7:1:31:8 The Electronic Structure of Hf-Doped Barium Titanate
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7:1:31:9 Effects of thermal processing and iron doping in co-sputtered barium strontium titanate thin films
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7:1:31:10 Microstructure and Ferroelectric Properties of Ta-Doped Barium Titanate Hafnate Ceramics
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7:1:31:11 Microstructure and Dielectric Properties of La-doped Barium Titanate Hafnate Ceramics
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7:1:31:12 Effect of Calcination Temperature on the Microstructures of Barium Titanate Hafnate Nanopowders Prepared by the Sol-gel Process
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7:1:31:13 Dielectric and tunable characteristics of Ba0.4Sr0.6TiO3-BaWO4 composite ceramics for microwave applications
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7:1:31:14 Electric Field-Dependent Properties of BaTiO3-Based Multilayer Ceramic Capacitors
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7:1:31:15 Effect of Double Doping in Lead Zirconate Titanate (PZT) Lattices by Sol-Gel Technique for MEMS Applications
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7:1:31:16 Microstructure and microwave properties of inkjet printed barium strontium titanate thick-films for tunable microwave devices
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7:1:31:17 Evolution of dielectric properties in BaZrxTi1-xO3 ceramics: Effect of polar nano-regions
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7:1:31:18 The influence of processing on the microstructure and the microwave properties of Co-F-codoped barium strontium titanate thick-films
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7:1:31:19 Impact of microwave sintering on dielectric properties of screen printed Ba0.6Sr0.4TiO3 thick films
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7:1:31:20 Low temperature crystallized voltage tunable Bi1.5CuxMg1-xNb1.5O7 thin films capable of integration with Au electrode
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7:1:31:21 Microwave dielectric properties of low loss and highly tunable Ba0.5Sr0.5Ti1-3y/2WyO3 ceramics
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7:1:31:22 Third-order electric-field-induced dipolar resonances from patterned barium-strontium-titanate thin-films
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7:1:31:23 Rheological Control of the Coffee Stain Effect for Inkjet Printing of Ceramics
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7:1:31:24 Correlation of the microstructure and microwave properties of Ba0.6Sr0.4TiO3 thick-films
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7:1:32:1 Identification and Effect of Secondary Phase in MnO2-Doped 0.8Pb (Zr0.52Ti0.48)O-3-0.2Pb(Zn1/3Nb2/3)O-3 Piezoelectric Ceramics
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7:1:32:2 Effect of MnO2 on the Piezoelectric Properties of the 0.75Pb(Zr0.47Ti0.53)O-3-0.25Pb(Zn1/3Nb2/3)O-3 Ceramics
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7:1:32:3 Low-Temperature Sintering and Piezoelectric Properties of 0.65Pb(Zr1-xTix)O-3-0.35Pb(Ni0.33Nb0.67)O-3 Ceramics
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7:1:32:4 Effect of grain size on the phase structure and electrical properties of PZT-PNZN quaternary systems
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7:1:32:5 Shift of morphotropic phase boundary in high-performance fine-grained PZN-PZT ceramics
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7:1:32:6 Phase transition and temperature stability of piezoelectric properties in Mn-modified Pb(Mg1/3Nb2/3)O-3-PbZrO3-PbTiO3 ceramics
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7:1:32:7 Effects of sintering temperature on microstructure and high field strain of niobium-strontium doped morphotropic lead zirconate titanate
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7:1:32:8 The formation of (Zn,Ni)TiO3 secondary phase in NiO-modified Pb(Zn1/3Nb2/3)O-3-PbZrO3-PbTiO3 ceramics
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7:1:32:9 Role of Secondary Phase in High Power Piezoelectric PMN-PZT Ceramics
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7:1:32:10 Identification of Substitution Mechanism in Group VIII Metal Oxides Doped Pb(Zn1/3Nb2/3)O-3-PbZrO3-PbTiO3 Ceramics with High Energy Density and Mechanical Performance
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7:1:32:11 High Energy Density Piezoelectric Ceramics for Energy Harvesting Devices
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7:1:32:12 Effect of the structural properties on the energy density of Pb(Zr0.47Ti0.53)O-3-Pb[(Ni0.6Zn0.4)(1/3)Nb-2/3]O-3 ceramics
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7:1:32:13 Effect of valence state and incorporation site of cobalt dopants on the microstructure and electrical properties of 0.2PZN-0.8PZT ceramics
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7:1:32:14 Effect of NiO additive on microstructure, mechanical behavior and electrical properties of 0.2PZN-0.8PZT ceramics
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7:1:32:15 MnO2 doped PSN-PZN-PZT piezoelectric ceramics for resonant actuator application
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7:1:32:16 Effect of CuO on the sintering temperature and piezoelectric properties of MnO2-doped 0.75Pb(Zr0.47Ti0.53)O-3-0.25Pb(Zn1/3Nb2/3)O-3 ceramics
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7:1:32:18 Relation between piezoelectric properties of ceramics and output power density of energy harvester
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7:1:32:20 Comparative study of microstructure, electric properties and conductivity for NiO and PNN modified Pb(Zn1/3Nb2/3)O-3-PbZrO3-PbTiO3 ceramics
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7:1:32:28 Influence of Temperature on Dielectric and Piezoelectric Behaviors of Stannate Modified Lead Zirconate Titanate Ceramics
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7:1:32:29 Synthesis and Properties of 0.8PZT-0.10PZN-0.10PNN Ceramics
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7:1:32:30 TEM Observations on 0.65Pb(Zr0.42Ti0.58)O3-0.35Pb(Ni0.33Nb0.67)O3 Ceramics with CuO Additive
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7:1:32:31 Energy flow in piezoelectric energy harvesting systems
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7:1:33:3 Pyroelectric and dielectric properties of ferroelectric films with interposed dielectric buffer layers
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7:1:33:5 Pyroelectric response of lead zirconate titanate thin films on silicon: Effect of thermal stresses
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7:1:33:6 Enhanced dielectric properties from barium strontium titanate films with strontium titanate buffer layers
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7:1:33:7 Bulk-like dielectric properties from metallo-organic solution-deposited SrTiO3 films on Pt-coated Si substrates
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7:1:33:8 Voltage induced acoustic resonance in metal organic chemical vapor deposition SrTiO3 thin film
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7:1:33:9 Thermodynamics of polar anisotropy in morphotropic ferroelectric solid solutions
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7:1:33:10 Effect of thermal stresses on the dielectric properties of strontium titanate thin films
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7:1:33:11 Influence of thermal stresses on the electrocaloric properties of ferroelectric films
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7:1:33:12 Some unusual behavior of dielectric properties of SrTiO3 metal organic chemical vapor deposition grown thin films
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7:1:33:13 Impact of thermal stress on the piezoelectric and dielectric properties of PbTiO3 thick films on various substrates
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7:1:33:14 Polar Anisotropy and Inter-Ferroelectric Transitions in Barium Titanate and its Solid Solutions
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7:1:33:15 Strain engineered barium strontium titanate for tunable thin film resonators
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7:1:33:16 MOCVD Growth of Compositionally Graded BaxSr1-xTiO3 Thin Films
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7:1:33:17 Temperature field and residual stress analysis of multilayer pyroelectric thin film
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7:1:33:18 Dielectric and tunable properties of bulk columnar Ba0.6Sr0.4TiO3/MgO composites
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7:1:33:19 Influence of the Precursor Solution Molarity on the Dielectric Response of Chemical Solution Deposited Strontium Titanate Thin Films on Si
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7:1:33:20 An Elegant Post-Growth Process Science Protocol to Improve the Material Properties of Complex Oxide Thin Films for Tunable Device Applications
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7:1:33:21 Novel Multi-Capacitor Architecture for BST Thin Film Varactors
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7:1:33:22 Spread Spectrum Clock Generation Using Ferroelectric Capacitors
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7:1:34:1 High-field dielectric properties and Raman spectroscopic investigation of the ferroelectric-to-relaxor crossover in BaSnxTi1-xO3 ceramics
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7:1:34:2 Investigation of the composition-dependent properties of BaTi1-xZrxO3 ceramics prepared by the modified Pechini method
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7:1:34:3 Enhanced microwave dielectric properties of Ba0.4Sr0.6TiO3 ceramics doping by metal Fe powders
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7:1:34:4 Preparation and characterization of barium titanate stannate solid solutions
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7:1:34:5 Multiscale study of ferroelectric-relaxor crossover in BaSnxTi1-xO3 ceramics
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7:1:34:6 Oxygen deficiency and grain boundary-related giant relaxation in Ba(Zr,Ti)O-3 ceramics
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7:1:34:7 Structural, electrical and piezoelectric properties of nanocrystalline tin-substituted barium titanate ceramics
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7:1:34:8 Ferroelectric-relaxor crossover characteristics in Ba(ZrxTi1-x)O-3 ceramics investigated by AFM-piezoresponse study
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7:1:34:9 Investigation of ferroelectric phase transition for barium strontium titanate ceramics by in situ Raman scattering
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7:1:34:10 Temperature dependence of tunability of Ba(SnxTi1-x)O-3 ceramics
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7:1:34:11 Enhanced Piezoelectric Properties and Tunability of Lead-Free Ceramics Prepared by High-Energy Ball Milling
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7:1:34:12 Modified Johnson model for ferroelectric lead lanthanum zirconate titanate at very high fields and below Curie temperature
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7:1:34:13 Crystal structure refinement and investigation of electrically heterogeneous microstructure of single phased Sr substituted BaTiO3 ceramics
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7:1:34:14 Effect of Zr substitution on phase transformation and dielectric properties of Ba0.9Ca0.1TiO3 ceramics
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7:1:34:15 Dielectric inspection of BaZr0.2Ti0.8O3 ceramics under bias electric field: A survey of polar nano-regions
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7:1:34:16 Enhanced dielectric and ferroelectric properties of lead-free Ba(Zr0.15Ti0.85)O-3 ceramics compacted by cold isostatic pressing
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7:1:34:17 Effect of MgO-CaO-Al2O3-SiO2 glass additive on dielectric properties of Ba0.95Sr0.05Zr0.2Ti0.8O3 ceramics
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7:1:34:18 On the capacitance versus voltage response and tunability of ferroelectrics: A microscopic model
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7:1:34:19 Dielectric and tunability properties of La-doped BaTiO3 ceramics
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7:1:34:20 Synthesis and characterization of BaTi1-xSnxO3-0.5 mol%GeO2
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7:1:34:21 Structural and dielectric properties of Na1-xBaxNb1-x(Sn0.5Ti0.5)(x)O-3 ceramics
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7:1:34:22 Structural and electrical characteristics of dysprosium-doped barium stannate titanate ceramics
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7:1:34:23 Size-dependent structural preferences and magnetization enhancement in 0.5Bi(0.8)La(0.2)FeO(3)-0.5PbTiO(3)
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7:1:35:1 Aging of 0-3 piezoelectric PZT ceramic-Portland cement composites
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7:1:35:2 Acoustic and electrical properties of 1-3 connectivity bismuth sodium titanate-Portland cement composites
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7:1:35:3 Dielectric and piezoelectric properties of 1-3 non-lead barium zirconate titanate-Portland cement composites
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7:1:35:4 Influence of barium titanate content and particle size on electromechanical coupling coefficient of lead-free piezoelectric ceramic-Portland cement composites
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7:1:35:5 Dielectric, ferroelectric and piezoelectric properties of 0-3 barium titanate-Portland cement composites
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7:1:35:6 Effect of carbon addition on the ferroelectric hysteresis properties of lead zirconate-titanate ceramic-cement composites
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7:1:35:7 Effect of compressive stress on the ferroelectric hysteresis behavior in 0-3 PZT-cement composites
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7:1:35:8 Fabrication and performance investigation of 2-2 connectivity lead-free barium zirconate titanate-Portland cement composites
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7:1:35:9 Fabrication and properties of piezoelectric composites designed for process monitoring of cement hydration reaction
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7:1:35:10 Effect of Particle Size on Dielectric and Ferroelectric Properties of 0-3 Lead Magnesium Niobate Titanate-Portland Cement Composites
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7:1:35:11 Effect of particle size on the dielectric and piezoelectric properties of 0-3BCTZO/cement composites
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7:1:35:12 Acoustic, Dielectric and Piezoelectric Properties of 1-3 Connectivity Barium Titanate-Portland Cement Composites
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7:1:35:13 Electromechanical Coupling Coefficient of 1-3 Connectivity Barium Titanate-Portland Cement Composites
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7:1:35:14 Dielectric and ferroelectric hysteresis properties of 1-3 lead magnesium niobate-lead titanate ceramic/Portland cement composites
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7:1:35:15 Micro-scaled size-dependence of the effective properties of 0-3 PZT-cement composites: Experiments and modeling
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7:1:35:16 Acoustic and Piezoelectric Properties of 0-3 Barium Zirconate Titanate-Portland Cement Composites-Effects of BZT Content and Particle Size
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7:1:35:17 Performance investigation of 1-3 piezoelectric ceramic-cement composite
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7:1:35:18 Interfacial morphology and domain configurations in 0-3 PZT-Portland cement composites
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7:1:35:19 Ferroelectric hysteresis behavior and dielectric properties of 1-3 lead zirconate titanate-cement composites
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7:1:35:20 Dielectric and Piezoelectric Properties of 2-2 PZT-Portland Cement Composites
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7:1:35:21 Effect of Particle Size on Dielectric Properties and Hysteresis Behavior of 0-3 Barium Zirconate Titanate-Portland Cement Composites
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7:1:35:22 High piezoelectricity 0-3 cement-based piezoelectric composites
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7:1:35:23 Piezoelectric properties of cement based/PVDF/PZT composites
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7:1:35:24 Synthesis and characterization of lead zirconate titanate (PZT) obtained by two chemical methods
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7:1:35:25 Investigations on Morphology and Domain Configurations in 0-3 Lead Magnesium Niobate Titanate-Portland Cement Composites by SEM and PFM
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7:1:35:26 Compressive Strength and Microstructure of 0-3 Lead Zirconate Titanate Ceramic-Portland Cement Composites
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7:1:35:27 Exact analysis of the dynamic properties of a 2-2 cement based piezoelectric transducer
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7:1:35:28 Design, fabrication, and properties of 2-2 connectivity cement/polymer based piezoelectric composites with varied piezoelectric phase distribution
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7:1:35:29 Enhanced electrical properties of composite nanostructures using BiFeO3 nanotubes and ferroelectric copolymers
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7:1:35:30 Effect of Barium Titanate Particle Size on Electrical Properties of 0-3 Barium Titanate-Portland Cement Composites
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7:1:35:31 Dynamic analysis of sandwich cement-based piezoelectric composites
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7:1:35:32 Fabrication and Electrical Properties of Lead Zirconate Titanate-Cement-Epoxy Composites
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7:1:36:1 Effect of tetragonal distortion on ferroelectric domain switching: A case study on La-doped BiFeO3-PbTiO3 ceramics
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7:1:36:2 Enhanced piezoelectric and ferroelectric properties in the BaZrO3 substituted BiFeO3-PbTiO3
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7:1:36:4 The Role of Spontaneous Polarization in the Negative Thermal Expansion of Tetragonal PbTiO3-Based Compounds
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7:1:36:7 Large Piezoelectric Response and Polarization in Relaxor Ferroelectric PbTiO3Bi(Ni1/2Zr1/2)O3
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7:1:36:9 Piezoelectric Ceramics with Compositions at the Morphotropic Phase Boundary in the BiFeO3-PbZrO3-PbTiO3 Ternary System
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7:1:36:10 BiFeO3-PbZrO3-PbTiO3 ternary system for high Curie temperature piezoceramics
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7:1:36:12 High piezoelectric performance in a new Bi-based perovskite of (1-x)Bi(Ni1/2Hf1/2)O-3-xPbTiO(3)
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7:1:36:13 Crystal Structure and Electrical Properties of Lead-Free (1-x) BaTiO3-x(Bi(1/2)A(1/2))TiO3 (A = Ag, Li, Na, K, Rb, Cs) Ceramics
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7:1:36:15 Microstructure and Electrical Properties of (1-x)Bi(Li1/3Zr2/3)O-3-xPbTiO(3) Piezoelectric Ceramics
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7:1:36:16 Morphotropic phase boundary and electrical properties of lead-free (1-x)BaTiO3-xBi(Li1/3Ti2/3)O-3 ceramics
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7:1:36:17 Nanoindentation behaviour of nano BiFeO3
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7:1:37:1 Low dielectric loss and enhanced tunable properties of Mn-doped BST/MgO composites
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7:1:37:2 High tunability of pulsed laser deposited Ba0.7Sr0.3TiO3 thin films on perovskite oxide electrode
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7:1:37:3 Energy storage properties in Ba0.4Sr0.6TiO3 ceramics with addition of semi-conductive BO-B2O3-SiO2-Na2CO3-K2CO3 glass
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7:1:37:4 Microstructure and dielectric properties of highly tunable Ba0.6Sr0.4TiO3/MgO/Al2O3/ZnO composite
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7:1:37:5 Effect of grain size on the energy storage properties of (Ba0.4Sr0.6)TiO3 paraelectric ceramics
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7:1:37:6 Effects of glass additions on the microstructure and dielectric properties of barium strontium titanate (BST) ceramics
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7:1:37:7 Sol-gel synthesis and characterization of Ba(1-x)SrxTiO3 ceramics
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7:1:37:8 Dielectric properties of Mg-doped Ba0.6Sr0.4TiO3 ceramics prepared by using sol-gel derived powders
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7:1:37:9 Dielectric and tunable properties of barium strontium titanate ceramics under the stresses
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7:1:37:10 Tunable dielectric properties of BaZr0.2Ti0.8O3-Mg2SiO4-MgO composite ceramics
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7:1:37:13 Peculiarities of temperature and field dependence of tunability in Ba0.6Sr0.4TiO3 ceramics with differing grain sizes
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7:1:37:14 Low temperature sintering and dielectric properties of Ba0.6Sr0.4TiO3-MgO composite ceramics with CaO-B2O3-SiO2 glass addition
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7:1:37:15 Synthesis Ba0.6Sr0.4TiO3-ZnNb2O6 composite ceramics using chemical coating method
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7:1:37:16 Temperature-dependent Raman scattering of KTa(1-x)NbxO(3) thin films
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7:1:37:17 Effects of Sr/Ti ratio on the microstructure and energy storage properties of nonstoichiometric SrTiO3 ceramics
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7:1:37:18 Bias Field Effect on the Dielectric and Pyroelectric Response of Single Crystal of Uniaxial Relaxor Sr0.75Ba0.25Nb2O6
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7:1:37:19 Mg diffusion in K(Ta0.65Nb0.35)O-3 thin films grown on MgO evidenced by Auger electron spectroscopy investigation
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7:1:37:22 The Effect of ZnO-B2O3-SiO2 Additive on Sintering and Dielectric Properties of Ba0.3Sr0.7TiO3 Ceramics
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7:1:38:1 Grain Size-Dependent Properties of Dense Nanocrystalline Barium Titanate Ceramics
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7:1:38:8 From core-shell BaTiO3@MgO to nanostructured low dielectric loss ceramics by spark plasma sintering
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7:1:38:10 Fe2O3@BaTiO3 Core-Shell Particles as Reactive Precursors for the Preparation of Multifunctional Composites Containing Different Magnetic Phases
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7:1:38:11 Nanostructuring Effects in Piezoelectric BiScO3-PbTiO3 Ceramics
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7:1:38:14 Low sintering of X7R ceramics based on barium titanate with SiO2-B2O3-Li2O sintering additives in reducing atmosphere
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7:1:38:15 Nanopowders of ferroic oxides for magnetoelectric composites
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7:1:38:18 Temperature dependences of the ferroelectric and dielectric properties of high curie temperature PbTiO3-BiScO3-Bi(Zn1/2Zr1/2)O-3
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7:1:38:19 Preparation and Characterization of Silica-Coated CaCu3Ti4O12
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7:1:38:20 Ferroelectric DomainWall as Stretched Membrane: Nonlinear Dielectric Response and Tunability
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7:1:38:21 Effect of grain size on phase transition, dielectric and pyroelectric properties of BST ceramics
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7:1:38:22 The Route for Synthesis of Agglomeration-Free Barium Strontium Titanate Nanoparticles Using Ultrasonic Spray Nozzle System
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7:1:39:1 Microstructure development and piezoelectric properties of highly textured CuO-doped KNN by templated grain growth
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7:1:39:2 Mechanistic Interpretation of the Aurivillius to Perovskite Topochemical Microcrystal Conversion Process
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7:1:39:3 Processing and mechanical response of highly textured Al2O3
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7:1:39:4 In Situ Observations of Templated Grain Growth in (Na0.5K0.5)(0.98)Li0.02NbO3 Piezoceramics: Texture Development and Template-Matrix Interactions
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7:1:39:5 One-Step Surfactant-Free Hydrothermal Synthesis of Platelike Sodium Niobate Template Powders
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7:1:39:6 Piezoelectric K0.5Na0.5NbO3 Ceramics Textured Using Needlelike K0.5Na0.5NbO3 Templates
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7:1:39:8 A critical evaluation of reactive templated grain growth (RTGG) mechanisms in highly [001] textured Sr0.61Ba0.39Nb2O6 ferroelectric-thermoelectrics
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7:1:39:9 Low-field dynamic magnetic alignment and templated grain growth of diamagnetic PMN-PT ceramics
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7:1:43:5 Shear-driven morphotropic phase boundary in epitaxial ferroelectric thin films
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7:1:43:10 Power generation transducer from magnetostrictive materials
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7:1:43:14 Morphogenesis of maze-like magnetic domains
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7:1:43:20 Domain rotation simulation of anisotropic magnetostrictions in giant magnetostrictive materials
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7:1:43:21 Magnetostriction "drop" in < 110 > oriented polycrystals Tb0.36Dy0.64(Fe0.85Co0.15)(2) after transverse field annealing
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7:1:43:22 The effect of magnetic annealing on the magnetostriction for Sm-Dy-Fe rod alloys
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7:1:44:1 Fabrication and dielectric property of ferroelectric PLZT films grown on metal foils
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7:1:44:7 Effect of dead layer and strain on the diffuse phase transition of PLZT relaxor thin films
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7:1:44:11 Development of PLZT dielectrics on base metal foils for embedded capacitors
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7:1:44:12 Effects of pyrolysis conditions on dielectric properties of PLZT films derived from a polyvinylpyrrolidone-modified sol-gel process
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7:1:44:14 Microstructure and electrical properties of LaNiO3 thin films by RF sputtering for the growth of (Pb,La)( Zr,Ti)O-3 films on silicon and nickel substrates
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7:1:44:15 Ceramic dielectric film capacitors fabricated on aluminum foils by chemical solution deposition
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7:1:44:22 Sol-Gel Synthesis of High-Quality SrRuO3 Thin-Film Electrodes Suppressing the Formation of Detrimental RuO2 and the Dielectric Properties of Integrated Lead Lanthanum Zirconate Titanate Films
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7:1:45:4 Origin of the enhanced polarization in La and Mg co-substituted BiFeO3 thin film during the fatigue process
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7:1:45:8 Effects of oxygen vacancies on dielectric, electrical, and ferroelectric properties of Ba4Nd2Fe2Nb8O30 ceramics
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7:1:45:9 Effect of microstructure on dielectric and fatigue strengths of BaTiO3
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7:1:45:11 Effect of microstructure on lifetime performance of barium titanate ceramics under DC electric field loading
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7:1:46:1 Relationship between structure and properties in high-temperature Bi(Al0.5Fe0.5)O-3-PbTiO3 piezoelectric ceramics
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7:1:46:10 A piezoelectric pseudo-bimorph actuator
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7:1:46:15 Effects of Nb doping on the microstructures and electrical properties of 0.44Bi(Sc0.75Co0.25)O-3-0.56PbTiO(3) piezoelectric system
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7:1:46:19 Dielectric and Piezoelectric Properties of (1-x)Bi(Sc-0.9(Zn1/2Ti1/2)(0.1))O-3-xPbTiO(3) Ceramics
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7:1:47:1 Difference between resistance degradation of fixed valence acceptor (Mg) and variable valence acceptor (Mn)-doped BaTiO3 ceramics
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7:1:47:4 Effect of acceptor concentration on the bulk electrical conduction in acceptor (Mg)-doped BaTiO3
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7:1:47:5 High-Energy Density Dielectrics and Capacitors for Elevated Temperatures: Ca(Zr,Ti)O-3
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7:1:47:6 Microwave Dielectric Properties and Thermally Stimulated Depolarization Currents of MgF2-Doped Diopside Ceramics
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7:1:47:7 Microwave Dielectric Properties and Thermally Stimulated Depolarization Currents Study of (1-x)Ba0.6Sr0.4La4Ti4O15-xTiO(2) Ceramics
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7:1:47:10 Role of polaron hopping in leakage current behavior of a SrTiO3 single crystal
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7:1:47:11 Improved reliability predictions in high permittivity dielectric oxide capacitors under high dc electric fields with oxygen vacancy induced electromigration
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7:1:47:12 Polarization Response and Thermally Stimulated Depolarization Current of BaTiO3-based Y5V Ceramic Multilayer Capacitors
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7:1:47:13 Resistance degradation behavior of Zr-doped BaTiO3 ceramics and multilayer ceramic capacitor
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7:1:47:16 Influence of Dy on the dielectric aging and thermally stimulated depolarization current in Dy and Mn-codoped BaTiO3 multilayer ceramic capacitor
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7:1:47:18 Effect of MnO2 on the electrical and dielectric properties of Y-doped Ba0.95Ca0.05Ti0.85Zr0.15O3 ceramics in reducing atmosphere
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7:1:47:19 Electrical conductivity of Ca1-xSrxTi0.65Fe0.35O3-delta, x=0, 0.5 and 1, polycrystalline compounds in the 300-500 K range
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7:1:47:20 Control of Ferroelectric Aging by Manipulating Point Defects
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7:1:48:3 Barium titanate ground- and excited-state properties from first-principles calculations
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7:1:48:6 Strain effect on phase transitions of BaTiO3 nanowires
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7:1:48:8 Surface structure and polarization of cubic and tetragonal BaTiO3: An ab initio study
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7:1:48:9 BaTiO3: Energy, geometrical and electronic structure, relationship between optical constant and density from first-principles calculations
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7:1:48:10 Low-temperature phase of BaTiO3: Piezoelectric, dielectric, elastic, and photoelastic properties from ab initio simulations
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7:1:48:11 Domain formation and dielectric response in PbTiO3: A first-principles free-energy landscape analysis
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7:1:48:12 Elastic and lattice dynamical properties of ternary strontium chalcogenide alloys
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7:1:48:13 Structural, electronic, elastic and vibrational properties of BiAlO3: A first principles study
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7:1:48:14 Improved Calculation of the Electronic and Optical Properties of Tetragonal Barium Titanate
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7:1:48:15 Photoelasticity of crystals from theoretical simulations
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7:1:48:16 BaTiO3(001)-(2 x 1): Surface Structure and Spin Density
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7:1:48:17 First principles study of the interface between silicone and undoped/doped BaTiO3
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7:1:48:18 Ab initio calculation of vibrational and thermodynamic properties of SrX (S, Se, Te) in the B1 (NaCl) and B2 (CsCl) structures
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7:1:49:2 Structural, Raman and electrical studies of 2 at.% Dy-doped NBT
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7:1:49:6 Synthesis and Characterization of Na2Ti6O13 Whiskers and their Transformation to (1-x) Na0.5Bi0.5TiO3-xBaTiO(3) Ceramics
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7:1:49:8 Physical properties of new, lead free (Na0.5Bi0.5)((1-x))BaxTi(1-x)(Fe0.5Nb0.5)(x)O-3 ceramics
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7:1:49:9 Piezoelectric properties and microstructures of ZnO-doped Bi0.5Na0.5TiO3 ceramics
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7:1:49:10 Solid state synthesis and sintering of solid solutions of BNT-xBKT
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7:1:49:13 Influence of the synthesis conditions on the dielectric properties in the Bi0.5Na0.5TiO3-KTaO3 system
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7:1:49:14 Optical gain in Er3+-doped transparent LuVO4 crystal at 850 nm
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7:1:50:2 Structure, photoluminescence and electrical properties of BaBi3.Eu-5(0).5Ti4O15 ceramics
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7:1:50:20 Microstructure and electrical properties of Aurivillius phase (CaBi2Nb2O9)(1-x)(BaBi2Nb2O9)(x) solid solution
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7:1:50:21 Are the parameters of the empirical law dependent on the dielectric properties of the ferroelectric relaxors?
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7:1:51:1 Effects of Kaolinite addition on the densification and dielectric properties of BaTiO3 ceramics
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7:1:51:2 Structural, dielectric and ferroelectric properties of Ba1-x(Bi0.5Na0.5)(x)TiO3 ceramics
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7:1:51:3 Nb-Modified 0.9BaTiO(3)-0.1(Bi0.5Na0.5)TiO3 Ceramics for X9R High-Temperature Dielectrics Application Prepared by Coating Method
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7:1:51:4 Positive temperature coefficient of resistivity behavior of Niobium-doped (1-x)BaTiO3-xBi(0.5)Li(0.5)TiO(3) ceramics
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7:1:51:6 High dielectric constant of (Ba0.96Ca0.04)(Ti0.85Zr0.15)O-3 multilayer ceramic capacitors with Cu doped Ni electrodes
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7:1:51:8 Fabrication and positive temperature coefficient of resistivity properties of semiconducting ceramics based on the BaTiO3-(Bi1/2K1/2)TiO3 system
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7:1:51:10 Compositional effects on structural, dielectric, ferroelectric and transport properties of Ba1-x(Bi0.5Li0.5)(x)TiO3 ceramics
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7:1:51:11 Study on the microstructure and dielectric properties of X9R ceramics based on BaTiO3
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7:1:51:12 Characteristics of BaO-B2O3-SiO2 nano glass powders prepared by flame spray pyrolysis as the sintering agent of BaTiO3 ceramics
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7:1:51:14 Synthesis and electrical properties of lead free (Bi0.5K0.5)TiO3-BaTiO3-Bi(Zn0.5Ti0.5)O-3 ceramics
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7:1:51:16 Positive temperature coefficient of resistance effect in Na2Ti6O13-doped 0.94BaTiO(3)-0.06(Bi0.5Na0.5)TiO3 ceramics
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7:1:51:18 Synthesis and electrical characteristics of (1-x)BaTiO3-xK(0.5)Bi(0.5)TiO(3) PTCR ceramics
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7:1:51:19 Dielectric properties of organofunctionalized kaolinite clay and application in adsorption mercury cation
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7:1:52:1 Temperature-dependent ferroelectric hysteresis properties of modified lead zirconate titanate ceramics
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7:1:52:3 Linear temperature scaling of ferroelectric hysteresis in Mn-doped Pb(Mn1/3Sb2/3)O-3-Pb(Zr,Ti)O-3 ceramic with internal bias field
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7:1:52:5 ac dynamics of ferroelectric domains from an investigation of the frequency dependence of hysteresis loops
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7:1:52:7 Temperature dependences of dynamic hysteresis in Pb(Zr,Sn,Ti)O-3 ceramics extending over Curie temperature
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7:1:52:8 Dynamic hysteresis of tetragonal ferroelectrics: The resonance of 90 degrees-domain switching
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7:1:52:10 Three-stage evolution of dynamic hysteresis scaling behavior in 63PbTiO(3)-37BiScO(3) bulk ceramics
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7:1:52:11 Dynamic hysteresis and scaling behavior for Pb(Zr,Ti)O-3 ceramics
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7:1:52:12 Effect of phase structure on the dynamic hysteresis scaling behavior in (1-x)BiScO3-xPbTiO(3) bulk ceramics
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7:1:52:13 Dielectric and ferroelectric response of compositionally graded bilayer and trilayer composites of BaTiO3 and 0.975BaTiO(3)-0.025Ba(Cu1/3Nb2/3)O-3
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7:1:52:14 Frequency Dependence of Coercive Field in Soft Pb(Zr1-xTix)O3 (0.20=x=0.60) Bulk Ceramics
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7:1:52:15 Scaling behavior of dynamic hysteresis in relaxor ferroelectric 0.67Pb(Mg1/3Nb2/3)O-3-0.33PbTiO(3) ceramics
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7:1:52:16 Hysteresis scaling relations in polycrystalline BaTiO3 bulk ceramics
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7:1:52:18 Study of Ferroelectric Hysteresis Scaling Exponents in Aged Polycrystalline BaTiO3
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7:1:52:19 High Dielectric Composition in the System Sn-Modified (1-x)BaTiO3-xBa(Cu1/3Nb2/3)O-3, x=0.025 for Multilayer Ceramic Capacitors
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7:1:53:1 Phase transition and conduction mechanism of rare earth based tungsten-bronze compounds
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7:1:53:2 Synthesis, microstructure, dielectric and magnetic properties of Cu substituted Ni-Li ferrites
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7:1:53:3 Electrical and Pyroelectric Properties of K2Pb2Gd2W2Ti4Nb4O30 Ferroelectrics
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7:1:53:4 Effect of Praseodymium on Electrical Properties of BiFeO3 Multiferroic
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7:1:53:5 Dielectric relaxation related to single-ionized oxygen vacancies in (Pb1-xLax)(Zr0.90Ti0.10)(1-x/4)O-3 ceramics
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7:1:53:6 Dielectric and Impedance Spectroscopy of Barium Bismuth Vanadate Ferroelectrics
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7:1:53:7 Phase transition and electrical properties of PbMg1/3Nb2/3O3-BiFeO3 solid-solution
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7:1:53:8 Studies of dielectric, pyroelectric and conduction mechanism of Sr3Ta2O8
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7:1:53:9 Dielectric and Pyroelectric Properties of La- and Pr-Modified Tungsten-Bronze Ferroelectrics
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7:1:53:10 Phase transition and electrical properties of strontium orthovanadate
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7:1:53:11 Pyroelectric and dielectric properties of lead-free ferroelectric Ba3Nb2O8 ceramic
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7:1:53:12 Dielectric and Impedance Spectroscopy of Barium Orthoniobate Ceramic
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7:1:53:13 Dielectric and Impedance Spectroscopy of ZnWO4 Electroceramics
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7:1:53:14 Ferroelectric and ferromagnetic properties of Gd-modified BiFeO3
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7:1:53:15 Development of Electronic and Electrical Materials from Indian Ilmenite
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7:1:53:16 Shell model of BaTiO3 derived from ab-initio total energy calculations
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7:1:53:17 Phase transitions and piezoelectric properties of SrBi2Ta2O9 by molecular dynamics simulations
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7:1:53:18 Structural, Dielectric, and Electrical Properties of BiFeWO6 Ceramic
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7:1:53:19 Electrical properties of ferroelectric-gate FETs with SrBi2Ta2O9 formed using MOCVD technique
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7:1:53:20 Development of bismuth-based electronic materials from Indian red mud
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7:1:54:1 A new potential model for barium titanate and its implications for rare-earth doping
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7:1:54:2 Local-structure origins of the sustained Curie temperature in (Ba,Ca)TiO3 ferroelectrics
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7:1:54:3 The application of a new potential model to the rare-earth doping of SrTiO3 and CaTiO3
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7:1:54:4 The Influence of A-Site Rare Earth Ion Size in Controlling the Curie Temperature of Ba1-xRExTi1-x/4O3
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7:1:54:5 A-Site Strain and Displacement in Ba1-xCaxTiO3 and Ba1-xSrxTiO3 and the Consequences for the Curie Temperature
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7:1:54:6 Ca K-edge X-ray absorption fine structure in BaTiO3-CaTiO3 solid solutions
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7:1:54:7 Enhanced dielectric and ferroelectric characteristics in Ca-modified BaTiO3 ceramics
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7:1:54:12 Atomistic structure of (Ba,Sr)TiO3: Comparing molecular-dynamics simulations with structural measurements
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7:1:54:13 An ultra-broad working temperature dielectric material obtained with Praseodymium doped BaTiO3-(Bi0.5Na0.5)TiO3-Nb2O5 based ceramics
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7:1:54:14 Ultra-Broad Temperature Stability Obtained with Ce-Doped BaTiO3-Based Ceramics
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7:1:54:15 Local structure and evolution of relaxor behavior in BaTiO3-Bi(Zn0.5Ti0.5)O-3 ceramics
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7:1:55:4 Structure and electrical properties of textured Sr1.85Ca0.15NaNb5O15 ceramics prepared by the reactive templated grain growth
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7:1:55:5 Effect of BaTiO3 addition on the microstructure and relaxor ferroelectric properties of Sr0.7Ba0.3Nb2O6 ceramics
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7:1:55:6 Microstructure and relaxor ferroelectric properties of Bi2O3-doped strontium barium niobate ceramics
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7:1:55:10 Fabrication of textured Sr2Na0.9K0.1Nb5O15 ceramics: Anisotropy in structures and electrical properties
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7:1:55:11 Phase formation, dielectric and ferroelectric properties of CaxBa1-xNb2O6 ceramics
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7:1:55:12 Growth, electromechanical, and electro-optic properties of tungsten bronze (Ca(0.28)Ba(0.72))(0.25)(Sr(0.6)Ba(0.4))(0.75)Nb(2)O(6) single crystal
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7:1:55:16 Optical properties of epitaxial (Ba0.39Sr0.61)(6)Ti2Nb8O30 thin films grown by pulsed laser deposition
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7:1:55:18 Role of structural changes in dielectric, ferroelectric properties of Sr2KxNa1-xNb5O15 lead-free ceramics
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7:1:55:20 Dielectric and ferroelectric properties of Ba0.8Sr0.2Ti1-5x/4NbxO3 ceramics
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7:1:55:21 Defects, Structure Changes, and the Effect of Random Fields on the Displacement of Off-Center Ions in Sr0.5Ba0.5Nb2O6 Doped with Combinations of Ce and Cr
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7:1:55:22 Effect of doping with Nd3+ ions on the structural and ferroelectric properties of Ca0.28Ba0.72Nb2O6 single crystal
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7:1:55:23 Preparation of Ba6Ti2Nb8O30 Thin Films by MOCVD using Ultrasonic Nebulization
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7:1:56:2 Thermally activated switching kinetics in second-order phase transition ferroelectrics
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7:1:56:5 Temperature dependence of polarization switching properties of Bi3.15Nd0.85Ti3O12 ferroelectric thin film
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7:1:56:8 Temperature scaling behavior of dynamic hysteresis for (K,Na)NbO3 lead-free ferroelectric films
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7:1:56:10 Abnormal polarization switching of relaxor terpolymer films at low temperatures
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7:1:56:11 Time-dependent three-dimensional domain reverse mechanism in nucleation, growth, and breakdown of ferroelectric films
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7:1:56:12 Write operation study of Co/BTO/LSMO ferroelectric tunnel junction
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7:1:56:13 Correlation Radius in Thin Ferroelectric Films
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7:1:56:14 First principles study of polarization-strain coupling in SrBi2Ta2O9
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7:1:57:2 Intrinsic paramagnetism and aggregation of manganese dopants in SrTiO3
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7:1:57:5 Spin Ordering in Mn-Doped KTaO3?
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7:1:57:7 Comment on "The Origin of Magnetism in Mn-Doped SrTiO3"
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7:1:58:10 Semiconductor-Insulator Transition in Undoped Rutile, TiO2, Ceramics
DOI:10.1111/jace.12025 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:6 AU: Liu, Yang;West, Anthony R.;
7:1:58:11 A combinatorial nanoprecursor route for direct solid state chemistry: Discovery and electronic properties of new iron-doped lanthanum nickelates up to La4Ni2FeO10-delta
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7:1:58:12 Solid-state synthesis of Bi2O3/BaTiO3 heterostructure: preparation and photocatalytic degradation of methyl orange
DOI:10.1007/s00339-012-7331-6 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:7 AU: Ren, Pengrong;Fan, Huiqing;Wang, Xin;
7:1:58:13 Insulation degradation behavior of multilayer ceramic capacitors clarified by Kelvin probe force microscopy under ultra-high vacuum
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7:1:59:1:1 Electrical Properties of Lead-Free 0.98(Na0.5K0.5Li0.1)NbO3-0.02Ba(Zr0.52Ti0.48)O-3 Ceramics by Sintering Temperature
DOI:10.1007/s13391-012-2002-5 JN:ELECTRONIC MATERIALS LETTERS PY:2012 TC:12 AU: Lee, Seung-Hwan;Kim, Hyun-Ju;Lee, Young-Hie;
7:1:59:1:2 Ferroelectric and Piezoelectric Properties of Lead-Free 0.98(Na0.5K0.5)NbO3-0.02Ba(Zr0.52Ti0.48)O-3 Ceramics with Various Sintering Temperatures
DOI:10.1007/s13391-012-1068-4 JN:ELECTRONIC MATERIALS LETTERS PY:2012 TC:12 AU: Lee, Seung-Hwan;Baek, Sang-don;Kim, Hyun-Ju;Lee, Sung-Gap;Lee, Young-Hie;
7:1:59:1:3 Triangular Ferroelectric Domains of Highly (111)-oriented NaNbO3 Thin Film on a Glass Substrate
DOI:10.1007/s13391-013-3120-4 JN:ELECTRONIC MATERIALS LETTERS PY:2014 TC:2 AU: Kim, Woo-Hee;Son, Jong Yeog;
7:1:59:1:4 Composition range and electrical properties of the morphotropic phase boundary in Bi-0.5(Na0.80K0.20)(0.5)TiO3-(Ba0.7Sr0.3)TiO3 system
DOI:10.1007/s13391-013-0027-z JN:ELECTRONIC MATERIALS LETTERS PY:2013 TC:1 AU: Jaita, Pharatree;Watcharapasorn, Anucha;Jiansirisomboon, Sukanda;
7:1:59:1:5 Fabrication and properties of YBa2Cu3O7-x ceramics at different sintering temperatures
DOI:10.1007/s13391-013-0020-6 JN:ELECTRONIC MATERIALS LETTERS PY:2013 TC:0 AU: Prayoonphokkharat, Poom;Jiansirisomboon, Sukanda;Watcharapasorn, Anucha;
7:1:59:1:6 Effect of Sintering Temperatures on the Piezoelectric and Dielectric Properties of 0.98(Na0.5K0.5)NbO3-0.02(Ba0.5Ca0.5)TiO3 Ceramics
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7:1:59:1:7 Synthesis of high-performance Li4Ti5O12 and its application to the asymmetric hybrid capacitor
DOI:10.1007/s13391-013-6032-4 JN:ELECTRONIC MATERIALS LETTERS PY:2013 TC:4 AU: Lee, Byunggwan;Yoon, Jung Rag;
7:1:59:1:8 Numerical analysis framework for magnetostriction of ferromagnetic materials
DOI:10.1007/s13391-013-6021-7 JN:ELECTRONIC MATERIALS LETTERS PY:2013 TC:0 AU: Choi, Deok-Kee;
7:1:59:2:1 Preparation of Homogeneous Microstructure Pure Lead Metaniobate by Two-Step Sintering
DOI:10.1007/s13391-013-3118-y JN:ELECTRONIC MATERIALS LETTERS PY:2014 TC:1 AU: Zhao, Xiao-gang;Liu, Peng;Chao, Bo;Liu, Su Juan;Pang, Ming;Chen, Xiao-ming;Zhou, Jian-ping;
7:1:59:2:2 Microstructure, Dielectric, and Piezoelectric Properties of Pb0.92Ba0.08Nb2O6-0.25 wt% TiO2 Ceramics: Effect of Sintering Temperature
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7:1:59:2:3 Microstructure and dielectric properties of Pb0.94La0.06Nb2O6 ceramics
DOI:10.1016/j.ceramint.2011.05.009 JN:CERAMICS INTERNATIONAL PY:2011 TC:5 AU: Chen, Xiao Ming;Zhao, Xiao Gang;Ding, Wei;Liu, Peng;
7:1:59:2:4 Effect of the Second Sintering Temperature on the Microstructure and Electrical Properties of PbNb2O6-0.5 wt.%ZrO2 Obtained via a Two-Step Sintering Process
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7:1:59:2:5 Crystallite structure, microstructure, dielectric, and piezoelectric properties of (Pb1.06-xBax)(Nb0.94Ti0.06)(2)O-6 piezoelectric ceramics prepared using calcined powders with different phases
DOI:10.1016/j.matchemphys.2013.11.015 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2014 TC:2 AU: Chen, Xiao-ming;Wang, Jian;Liang, Xiao-xia;Sun, Kai;Zhou, Jian-ping;Liu, Peng;
7:1:59:3:1 Piezoelectric and Dielectric Properties of (Na0.44K0.52)Nb0.84O3-Li-0.04(Sb0.06Ta0.1)O-3 Ceramics with Sintering Temperature
DOI:10.1007/s13391-011-0905-1 JN:ELECTRONIC MATERIALS LETTERS PY:2011 TC:9 AU: Lee, Seung-Hwan;Lee, Young-Hie;
7:1:59:3:2 Characterization and Modeling of an Acoustic Sensor Using AlN Thin-Film for Frequency Selectivity
DOI:10.1007/s13391-013-3048-8 JN:ELECTRONIC MATERIALS LETTERS PY:2014 TC:1 AU: Kim, Sangwon;Song, Won Joon;Tang, Jongmoon;Jang, Jeong Hun;Choi, Hongsoo;
7:1:59:3:3 Piezoelectric Performance of Continuous Beam and Narrow Supported Beam Arrays for Artificial Basilar Membranes
DOI:10.1007/s13391-014-4053-2 JN:ELECTRONIC MATERIALS LETTERS PY:2014 TC:2 AU: Song, Won Joon;Jang, Jongmoon;Kim, Sangwon;Choi, Hongsoo;
7:1:59:3:4 The Effects of Residual Stresses in the Composite Diaphragm on the Performance of Piezoelectric Microspeakers
DOI:10.1007/s13391-012-2141-8 JN:ELECTRONIC MATERIALS LETTERS PY:2013 TC:3 AU: Ur, Soon-Chul;Kim, Eun-Sok;Yi, SeungHwan;
7:1:59:3:5 Dielectric and Piezoelectric, Properties of 0.95(Na0.5K0.5)NbO3-0.05CaTiO(3) Ceramics with Ag2O Contents
DOI:10.1007/s13391-012-2072-4 JN:ELECTRONIC MATERIALS LETTERS PY:2012 TC:2 AU: Lee, Seung-Hwan;Baek, Sang-Don;Kim, Hyun-Ju;Kim, Seung-Hyun;Lee, Sung-Gap;Kim, Dae-Young;Lee, Young-Hie;Nam, Sung-Pill;Lee, Ku-Tak;
7:1:59:4:1 Influence of the sintering temperature and Ag2O dopants on microstructure and piezoelectric properties of 0.94(K0.5Na0.5) NbO3-0.06LiNbO(3) lead-free ceramics
DOI:10.1016/j.jallcom.2013.11.021 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Chae, Moon-Soon;Koh, Jung-Hyuk;Lee, Sang-Kwon;
7:1:59:4:2 Effects of calcination temperature on the piezoelectric properties of lead-free Ag doped (Na,K)NbO3-LiTaO3 piezoelectric ceramics
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7:1:59:4:3 Electrical Properties of Lead-free 0.98(Na0.5K0.5Lix)NbO3-0.02Ba(Zr0.52Ti0.48)O-3 Ceramics
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7:1:59:4:4 Li2O excess (Na0.51K0.47Li0.02)(Nb0.8Ta0.2)O-3 lead free piezoelectric ceramics
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7:1:59:5:1 Effect of reaction sintering process on the microwave dielectric properties of Ba2Ti9O20 materials
DOI:10.1016/j.jeurceramsoc.2009.04.024 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:5 AU: Lin, I-Nan;Chang, Chi-Ben;Leou, Keh-Chyang;Cheng, Hsiu-Fung;
7:1:59:5:2 Dispersion of BaTi4O9 powders in aqueous solutions with PAMCOB copolymer
DOI:10.1016/j.ceramint.2011.07.004 JN:CERAMICS INTERNATIONAL PY:2012 TC:0 AU: Chung, Tzu-Min;Hsu, Kung-Chung;
7:1:60:1:1 Magnetostriction and anisotropy compensation in TbxDy0.9-xNd0.1Fe1.93 [0.2 <= x <= 0.4]
DOI:10.1063/1.3525577 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Jammalamadaka, S. Narayana;Markandeyulu, G.;Balasubramaniam, Krishnan;
7:1:60:1:2 Magnetostriction of TbxDy0.9-xNd0.1(Fe0.8Co0.2)(1.93) compounds and their composites (0.20 <= x <= 0.60)
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7:1:60:1:3 Giant low-field magnetostriction of epoxy/TbxDy1-x(Fe0.8Co0.2)(2) composites (0.20 <= x <= 0.40)
DOI:10.1063/1.4816417 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Liu, J. J.;Pan, Z. B.;Si, P. Z.;Du, J.;
7:1:60:1:4 Structure and magnetostriction of Tb1-xNdx(Fe0.8Co0.2)(1.93) alloys
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7:1:60:1:5 Structural, magnetic and magnetostrictive properties of Laves-phase compounds TbxHo0.9-xNd0.1Fe1.93 (0 <= x <= 0.40)
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7:1:60:1:6 Anisotropy compensation and high low-field magnetostriction of epoxy/Tb1-xHox(Fe0.8Co0.2)(2) composites (0.60 <= x <= 1.0)
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7:1:60:1:7 Structural, magnetic and magnetostrictive properties of Co-doped Tb1-xHoxFe2 (0 <= x <= 1.0) alloys
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7:1:60:1:8 Structure and magnetostriction of Tb0.4Nd0.6(Fe0.8Co0.2)(x) alloys
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7:1:60:2:1 Grain-< 111 >-oriented anisotropy in the bonded giant magnetostrictive material
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7:1:60:2:2 The stress-induced anisotropy in the (110) plane of the magnetostrictive TbDyFe [110] oriented crystal
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7:1:60:2:3 The stress dependence of magnetostriction hysteresis in TbDyFe [110] oriented crystal
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7:1:60:2:4 A study on laminated structures in Terfenol-D/Epoxy particulate composite with enhanced magnetostriction
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7:1:60:2:5 Cut-off frequency of magnetostrictive materials based on permeability spectra
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7:1:60:2:6 Magnetostriction under high prestress in Fe81Ga19 crystal
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7:1:60:3:1 Magnetomechanical properties of epoxy-bonded Sm1-xNdxFe1.55 (0 <= x <= 0.56) pseudo-1-3 magnetostrictive particulate composites
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7:1:60:3:2 The compressive stress effect on the magnetostriction and magnetization for Sm-Dy-Fe composites
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7:1:60:3:3 Structural, magnetic properties and magnetostriction studies of Sm1-xNdxFe1.55 alloys
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7:1:60:3:4 Structure, magnetic and magnetostrictive properties of Sm0.7Pr0.3Fex alloys
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7:1:60:3:5 Dynamic magnetoelastic properties of epoxy-bonded Sm0.88Nd0.12Fe1.93 pseudo-1-3 negative magnetostrictive particulate composite
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7:1:60:4:1 Effect of B and C doping on structure and magnetostriction of high-Pr content alloys
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7:1:60:4:2 High magnetostriction at low fields of (Tb1-xDyx)(0.2)Pr-0.8(Fe0.4Co0.6)(1.88)C-0.05 intermetallic compounds
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7:1:61:1 High spatial resolution structure of (K,Na)NbO3 lead-free ferroelectric domains
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7:1:61:2 Interfacial coupling in multiferroic/ferromagnet heterostructures
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7:1:61:3 New insights into the properties of KxNa(1-x)NbO3 ceramics obtained by hydrothermal synthesis
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7:1:61:4 Resolution of the ferroelectric domains structure in (K,Na)NbO3-based lead-free ceramics by confocal Raman microscopy
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7:1:61:5 Direct Scanning Electron Microscopy Imaging of Ferroelectric Domains After Ion Milling
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7:1:61:6 Ferroelectric domain structure of lead-free potassium-sodium niobate ceramics
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7:1:61:7 Ferroelectric Domain Characterization of Orthorhombic Sodium-Potassium Niobate Piezoelectric Crystals
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7:1:61:8 Crystal growth and ferroelectric property of Na0.5K0.5NbO3 and Mn-doped Na0.5K0.5NbO3 crystals grown by floating zone method
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7:1:61:9 Simultaneous imaging of the ferromagnetic and ferroelectric structure in multiferroic heterostructures
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7:1:61:10 Conductive coatings with low carbon-black content by adding carbon nanofibers
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7:1:61:11 Ferroelectric polarization and domain walls in orthorhombic (K1-xNax)NbO3 lead-free ferroelectric ceramics
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7:1:61:12 Effect of the Addition of B2O3 on the Density, Microstructure, Dielectric, Piezoelectric and Ferroelectric Properties of K0.5Na0.5NbO3 Ceramics
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7:1:61:13 Effect of elemental diffusion on temperature coefficient of piezoelectric properties in KNN-based lead-free composites
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7:1:62:1 Dense KSr2Nb5O15 ceramics with uniform grain size prepared by molten salt synthesis
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7:1:62:2 Microstructure and electrical properties of potassium strontium niobate (KSr2Nb5O15) ceramics
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7:1:62:3 Effect of excess Nb2O5 on the growth behavior of KSr2Nb5O15 particles by molten salt synthesis
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7:1:62:4 Phase field simulation for the evolution of textured ceramics microstructure
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7:1:62:5 Preparation and Piezoelectricity of NaNbO3 High-Density Ceramics by Molten Salt Synthesis
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7:1:62:6 Texture development and dielectric relaxor behavior of 0.80Na(0.5)Bi(0.5)TiO(3)-0.20K(0.5)Bi(0.5)TiO(3) ceramics templated by plate-like NaNbO3 particles
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7:1:62:7 Molten salt synthesis of acicular sodium strontium niobate particles
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7:1:62:8 Fabrication of KSr2Nb5O15 particles with high aspect ratio by two-step molten salt synthesis
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7:1:62:9 Densification and texture evolution of Bi4Ti3O12 templated Na0.5Bi0.5TiO3-BaTiO3 ceramics: Effects of excess Bi2O3
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7:1:62:10 Preparation of single crystalline NaSr2Nb5O15 particles with acicular morphology
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7:1:62:11 Electrical Properties of 1-3 Piezocomposites Prepared from Textured KSr2Nb5O15 (KSN) Ceramic Fibers
DOI:10.1080/00150193.2011.594770 JN:FERROELECTRICS PY:2011 TC:1 AU: Dursun, Sinan;Alkoy, Sedat;
7:1:62:12 Enhanced Electrical Properties of Bi4Ti3O12-modified (K0.5N0.5)NbO3 Lead-free Piezoceramics
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7:1:63:1 Thermal Expansion, Ferroelectric and Magnetic Properties in (1-x)PbTiO3-xBi(Ni1/2Ti1/2)O-3
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7:1:63:2 Presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of multiferroic (1-x)Bi(Ni1/2Ti1/2)O-3-xPbTiO(3) solid solution: A Rietveld study
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7:1:63:3 Ferroic characterizations, phase transformation, and internal bias field in 0.75Pb(Fe2/3W1/3)O-3-0.25PbTiO(3) multiferroic ceramic
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7:1:63:4 Correlations between tetragonality, polarization, and ionic displacement in PbTiO3-derived ferroelectric perovskite solid solutions
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7:1:63:5 Magnetic enhancement and low thermal expansion of (1-x-y)PbTiO3-xBi(Ni1/2Ti1/2)O-3-yBiFeO(3)
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7:1:63:6 Growth and Electrical Properties of 25%Bi(Ni1/2Ti1/2)O-3-75%PbTiO3 Thin Films on Pt/TiO2/SiO2/Si Substrates Using Pulsed Laser Deposition Method
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7:1:63:7 High piezoelectric and mechanical performances in multiferroic (1-x-y) PbTiO3-xBi(Ni1/2Ti1/2)O-3-yBiScO(3)
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7:1:63:8 Synthesis, Structural Characterization, and Properties of Perovskites Belonging to the xBiMnO(3)-(1-x) PbTiO3 System
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7:1:63:9 Multiferroics and electronic structure of (1-x)PbTiO3-xBi(Ni1/2Ti1/2)O-3 thin films
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7:1:63:10 Growth and ferroelectric properties of sol-gel derived Bi(Mg1/2Zr1/2)O-3-PbTiO3 thin films
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7:1:63:11 Anelastic Characterization of Pb(Fe2/3W1/3)O-3 Multiferroic Ceramics
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7:1:63:12 TEM and SAED Characterization of Metakaolin. Pozzolanic Activity
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7:1:63:13 Aluminum Incorporation in the C-S-H Phase of White Portland Cement-Metakaolin Blends Studied by Al-27 and Si-29 MAS NMR Spectroscopy
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7:1:63:14 B-site Dopant Effect on the Thermal Expansion in the (1-x)PbTiO3-xBiMeO(3) Solid Solution (Me = Fe, In, Sc)
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7:1:63:15 Temperature and pressure effects of multiferroic Bi2NiTiO6 compound
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7:1:63:16 Low temperature phenomena in ferroic BiMO3-PbTiO3 (M: Mn and Sc)
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7:1:63:17 Structural, Dielectric, and Ferroelectric Properties of BiAlO3-PbTiO3 Solid Solution Thin Films on Indium Tin Oxide-Coated Glass Substrates
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7:1:63:18 Electroelastic study of the relaxor-normal phase transition in PFW-PT solid solution
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7:1:64:1 Effects of Eu substitution on luminescent and magnetic properties of BaTiO3 nanomaterials
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7:1:64:2 Self-activated luminescence characteristics of double perovskite ceramic Sr2ZrCeO6
DOI:10.1016/j.ceramint.2013.07.061 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Park, Cheol Woo;Seo, Hyo Jin;
7:1:64:3 Effects of multi-doping of rare-earth oxides on the microstructure and dielectric properties of BaTiO3
DOI:10.1016/j.jallcom.2010.04.085 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:21 AU: Jo, Soo Kyong;Park, Jae Sung;Han, Young Ho;
7:1:64:4 Synthesis, structural characterization and dielectric properties of Nb doped BaTiO3/SiO2 core-shell heterostructure
DOI:10.1016/j.jallcom.2013.10.228 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:9 AU: Cernea, M.;Vasile, B. S.;Boni, A.;Iuga, A.;
7:1:64:5 Influence of A-site Gd doping on the microstructure and dielectric properties of Ba(Zr0 1Ti0 9)O-3 ceramics
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7:1:64:6 Structural, electrical and optical properties of Ba(Ti-1-xYb(4x/3))O-3 ceramics
DOI:10.1016/j.ceramint.2013.05.070 JN:CERAMICS INTERNATIONAL PY:2013 TC:5 AU: Ganguly, M.;Rout, S. K.;Ahn, C. W.;Kim, I. W.;Kar, Manoranjan;
7:1:64:7 Characterization and Rietveld Refinement of A-site deficient Lanthanum doped Barium Titanate
DOI:10.1016/j.jallcom.2013.06.104 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:13 AU: Ganguly, M.;Rout, S. K.;Sinha, T. P.;Sharma, S. K.;Park, H. Y.;Ahn, C. W.;Kim, I. W.;
7:1:64:8 Multiferroicity in Ba0.97La0.03Ti1-xNixO3 (0.03 <= x <= 0.07) ceramics
DOI:10.1016/j.jallcom.2014.06.147 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:0 AU: Sharma, Neha;Gaur, Anurag;Gaur, Umesh Kumar;Kotnala, R. K.;
7:1:64:9 Study of electrochemical hydrogen charge/discharge properties of FePO4 for application as negative electrodes in hydrogen batteries
DOI:10.1016/j.ceramint.2013.01.089 JN:CERAMICS INTERNATIONAL PY:2013 TC:1 AU: Lim, Dae-Kwang;Singh, Bhupendra;Kang, Jungwon;Kim, Jaekook;Song, Sun-Ju;
7:1:64:10 Synthesis and luminescence properties of La2Ti2O7:Er3+ nanocrystals with pyrochlore structure
DOI:10.1016/j.jallcom.2012.07.017 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:6 AU: Li, Xinshuan;Cai, Hongtao;Ding, Linghong;Dou, Xinwang;Zhang, Weifeng;
7:1:64:11 Substitution behavior of x(Na0.5K0.5)NbO3-(1-x) BaTiO3 ceramics for multilayer ceramic capacitors by a near edge x-ray absorption fine structure analysis
DOI:10.1063/1.4886579 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Ha, Jooyeon;Ryu, Jiseung;Lee, Heesoo;
7:1:64:12 Preparation and magnetic properties of electrospun Co/BaTiO3 heterostructured nanofibers
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7:1:64:13 An Investigation into the Electrical Properties of Doped Barium Titanate Using Electrical Impedance Spectroscopy (EIS)
DOI:10.1080/00150193.2013.822286 JN:FERROELECTRICS PY:2013 TC:0 AU: Dale, Graham;Conway, Michael;Strawhorne, Maureen;McLaughlin, Jim;
7:1:64:14 Studies of Dielectric Properties of Rare Earth (Y, Gd, Yb) Doped Barium Titanate Sintered in Pure Nitrogen
DOI:10.1080/00150193.2010.484757 JN:FERROELECTRICS PY:2010 TC:1 AU: Li, Yanxia;Hao, Yingbin;Wang, Xusheng;Yao, Xi;
7:1:64:15 Effects of Bi2O3 and Yb2O3 on the Curie Temperature in BaTiO3-Based Ceramics
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7:1:64:16 Mechanical niobium doping in barium titanate electroceramics
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7:1:64:17 Effects of size reduction on the structure and magnetic properties of core-shell Ni3Si/silica nanoparticles prepared by electrochemical synthesis
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7:1:65:1 Influence of processing conditions on the grain growth and electrical properties of barium zirconate titanate ferroelectric ceramics
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7:1:65:2 Synthesis and characterization of nanocrystalline ferroelectric Sr0.8Bi2.2Ta2O9 by conventional and microwave sintering: A comparative study
DOI:10.1016/j.materresbull.2012.12.049 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:3 AU: Sugandha;Jha, A. K.;
7:1:65:3 Structural and electrical properties of Ba5-xCaxSmTi3Nb7O30 (x=0-5) ferroelectric ceramics
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7:1:65:4 Investigation and characterization of Pb(Zr0.52Ti0.48)O-3 nanocrystalline ferroelectric ceramics: By conventional and microwave sintering methods
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7:1:65:5 Synthesis and Characterization of Tungsten-Bronze Structured Nanocrystalline Ba5SmTi3Nb7O30 Ferroelectric Ceramics by High-Energy Ball Milling
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7:1:65:6 Structural and Dielectric Investigations of Bismuth Excess Strontium Bismuth Tantalate Ferroelectric Ceramics
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7:1:65:7 Effect of the Sintering Temperature on Nanocrystalline Non-stoichiometric Sr0.8Bi2.2Ta2O9 Ferroelectric Ceramics
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7:1:65:8 Enhanced characteristics of Ba5SmTi3Nb7O30 ferroelectric nanocrystalline ceramic prepared by mechanical activation process: A comparative study
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7:1:65:9 Dielectric behavior of (1-x) Ba Zr0.025Ti0.975O3-(x) BiFeO3 solid solutions
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7:1:65:10 Effect of holmium substitution on electrical properties of strontium bismuth tantalate ferroelectric ceramics
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7:1:65:11 Yttrium Substituted Sr0.8Bi2.2Ta2O9 Ferroelectric Compound: Effect on Microstructural and Electrical Properties
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7:1:65:12 Nanocrystalline non-stoichiometric SBT: Effect of milling duration on structural and electrical characteristics
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7:1:65:13 Effect of holmium substitution on structural and electrical properties of barium zirconate titanate ferroelectric ceramics
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7:1:65:14 Observation of crystallization and characterizations on thiourea cadmium iodide: A semi-organic optical material
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7:1:65:15 Phase transformation and two-mode phonon behavior of (1-x) [Ba Zr0.025Ti0.975O3]-(x) [BiFeO3] solid solutions
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7:1:65:16 The Effect of Process on Ferroelectric and Magnetic Properties in Bi5Fe0.5Co0.5Ti3O15 Thin Films
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7:1:65:17 Structure and ferroelectric properties of stoichiometric and Sr-deficient-SrBi4Ti4O15 thin films
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7:1:65:18 Structural and Electrical Properties of Complex Tungsten Bronze Ferroelectrics; Li2Pb2La2W2Ti4V4O30
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7:1:65:19 Nanocrystalline Pb(Zr0.52Ti0.48)O-3 Ferroelectric Ceramics: Mechanical and Electrical Properties
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7:1:65:20 A comparative study of structural and electrical properties of Ba0.8Pb0.2TiO3 nanocrystalline ceramics prepared by microwave and spark plasma sintering
DOI:10.1016/jmatchemphys.2013.08.023 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2013 TC:6 AU: Mudinepalli, Venkata Ramana;Song, Shenhua;Li, Junqin;Murty, B. S.;
7:1:65:21 Analytical comparison of magnetic and electrical properties using modified Landau theory in bismuth ferrite: Effect of milling
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7:1:65:22 Enhancement of Dielectric Properties by Optimization of Sintering Condition in Ba5SmTi3Nb7O30 Prepared by Mechanical Activation Process
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7:1:66:1 Unipolar poling-induced high switching speed and improved imprint behaviors for poly(vinylidene fluoride-trifluoroethylene) copolymer ultrathin films
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7:1:66:2 The improved imprint effect in poly(vinylidene fluoride-trifluoroethylene) copolymer ultrathin films
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7:1:66:3 Temperature dependence of imprint mechanism in poly(vinylidene fluoride-trifluoroethylene) copolymer ultrathin films
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7:1:66:4 Modeling of ferroelectric switching process in poly(vinylidene fluoride-trifluoroethylene) copolymer ultrathin films with electroactive interlayer
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7:1:66:5 Fast switching protocol for ferroelectric random access memory based on poly(vinylidene fluoride-trifluoroethylene) copolymer ultrathin films
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7:1:66:6 The preparation and ferroelectric properties of defect-free ultrathin films of vinylidene fluoride oligomer
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7:1:66:7 High-temperature ferroelectric behaviors of poly(vinylidene fluoride-trifluoroethylene) copolymer ultrathin films with electroactive interlayers
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7:1:66:8 A high-K ferroelectric relaxor terpolymer as a gate dielectric for organic thin film transistors
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7:1:66:9 The Role of Proton for the Effect of Interlayer on Ferroelectric Behavior of Poly(vinylidene fluoride-trifluoroethylene) Copolymer Ultrathin Films
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7:1:66:10 Quantifying electronic charge trap states and the effect of imprint on ferroelectric poly(vinylidene fluoride-trifluoroethylene) thin films
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7:1:66:11 Investigation of state retention in metal-ferroelectric-insulator-semiconductor structures based on Langmuir-Blodgett copolymer films
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7:1:66:12 The effect of electroactive interlayer on the ferroelectric properties in poly(vinylidene fluoride-trifluoroethylene) copolymer ultrathin films
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7:1:66:13 Rate dependant heat generation in single cycle of domain switching of lead zirconate titanate via in-situ spontaneous temperature measurement
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7:1:66:14 Polarization screening in polymer ferroelectric films: Uncommon bulk mechanism
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7:1:66:15 Large and temperature-independent piezoelectric response in Pb(Mg1/3Nb2/3)O-3-BaTiO3-PbTiO3
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7:1:66:16 Temperature dependence of imprint mechanism in poly(vinylidene fluoride-trifluoroethylene) copolymer ultrathin films (vol 104, 103505, 2014)
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7:1:67:1 Effect of stoichiometry and milling processes in the synthesis and the piezoelectric properties of modified KNN nanoparticles by solid state reaction
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7:1:67:2 Role of sintering time, crystalline phases and symmetry in the piezoelectric properties of lead-free KNN-modified ceramics
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7:1:67:3 Structural, microstructural and electrical properties evolution of (K,Na,Li)(Nb,Ta,Sb)O-3 lead-free piezoceramics through NiO doping
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7:1:67:4 Sol-gel derived (Li, Ta, Sb) modified sodium potassium niobate ceramics: Processing and piezoelectric properties
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7:1:67:5 Phase structure and piezoelectric properties of Ca- and Ba-doped K1/2Na1/2NbO3 lead-free ceramics
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7:1:67:6 Lead free (Li,Na,K)(Nb,Ta,Sb)O-3 piezoelectric ceramics: Influence of sintering atmosphere and ZrO2 doping on densification, microstructure and piezoelectric properties
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7:1:67:7 Influence of B-site compositional homogeneity on properties of (K0.44Na0.52Li0.04)(Nb0.86Ta0.10Sb0.04)O-3-based piezoelectric ceramics
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7:1:67:8 Nano-powders of Na0.5K0.5NbO3 made by a sol-gel method
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7:1:67:9 Effect of the temperature on the synthesis of (K,Na)NbO3-modified nanoparticles by a solid state reaction route
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7:1:67:10 PFM characterization of (K0.5Na0.5)(0.95)La-0.05(Nb0.9Ti0.05)O-2.9 ceramics lead free
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7:1:67:11 Densification behavior, microstructure, and electrical properties of sol-gel-derived niobium-doped (Bi0.5Na0.5)(0.94)Ba0.06TiO3 ceramics
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7:1:67:12 Structural and dielectric properties of La- and Ti-modified K0.5Na0.5NbO3 ceramics
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7:1:67:13 Temperature stability and phase transition of Li-0.02(KxNa1-x)(0.98)NbO3 ceramics
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7:1:68:1 Phase Diagram, Temperature Stability, and Electrical Properties of (0.85-x)Pb(Mg1/3Nb2/3)O3-0.10Pb(Fe1/2Nb1/2)O3-0.05PbZrO3-xPbTiO3 System
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7:1:68:2 Structure, frequency dependent dielectric properties and domain configuration of PMN-PFN-PT single crystal
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7:1:68:3 Effect of Pb(Fe1/2Nb1/2)O-3 modification on dielectric and piezoelectric properties of Pb(Mg1/3Nb2/3)O-3-PbZr0.52Ti0.48O3 ceramics
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7:1:68:4 Effect of Annealing Temperature on Dielectric Relaxation and Raman Scattering of 0.65Pb(Mg1/3Nb2/3)O-3-0.35PbTiO(3) System
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7:1:68:5 Synthesis and characterization of Pb(Mg1/3Nb2/3)O-3-PbTiO3 relaxor ferroelectrics modified by Ba(Mg1/3Nb2/3)O-3
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7:1:68:6 A lead-reduced ferrolectric solid solution with high curie temperature: BiScO3-Pb(Zn1/3Nb2/3)O-3-PbTiO3
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7:1:68:7 Influence of Pb(Al,Nb)O-3 substitution on the structure and electrical properties in Pb(Zn,Nb)O-3-Pb(Zr,Ti)O-3 solid solutions
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7:1:68:8 MPB design and crystal growth of PMN-PT-PZ relaxor ferroelectrics
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7:1:68:9 Structure and Piezoelectric Properties Near the Bismuth Scandium Oxide-Lead Zirconate-Lead Titanate Ternary Morphotropic Phase Boundary
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7:1:68:10 Preparation, structure, and electric properties of the Pb(Zn1/3Nb2/3)O-3-Pb(Yb1/2Nb1/2)O-3-PbTiO3 ternary ferroelectric system ceramics near the morphotropic phase boundary
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7:1:68:11 Fabrication and properties of PYN-PMN-PZT quaternary piezoelectric ceramics for high-power, high-temperature applications
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7:1:68:12 Phase diagram and electrical properties of Pb(Yb1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 ternary ceramics
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7:1:68:13 Composition and temperature dependence of ferroelectric and pyroelectric properties of (1-x)[PMN-PT(65/35)]-xPZ (0 <= x <= 0.10) ceramics
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7:1:68:14 Optical and electro-optical properties of (Pb,La)TiO3 transparent ceramics
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7:1:69:1 Templated Grain Growth of << 001 >>-Textured 0.675Pb(Mg1/3Nb2/3)O-3-0.325PbTiO(3) Piezoelectric Ceramics for Magnetic Field Sensors
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7:1:69:2 Piezoelectric properties and temperature stability of Mn-doped Pb(Mg1/3Nb2/3)-PbZrO3-PbTiO3 textured ceramics
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7:1:69:3 Processing, texture quality, and piezoelectric properties of < 001 >(C) textured (1-x)Pb(Mg1/3Nb2/3)TiO3-xPbTiO(3) ceramics
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7:1:69:4 Electromechanical behavior of [001]-textured Pb(Mg1/3Nb2/3)O-3-PbTiO3 ceramics
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7:1:69:5 Giant energy density in [001]-textured Pb(Mg1/3Nb2/3)O-3-PbZrO3-PbTiO3 piezoelectric ceramics
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7:1:69:6 Fundamental limitation to the magnitude of piezoelectric response of < 001 >(pc) textured K0.5Na0.5NbO3 ceramic
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7:1:69:7 Enhanced electromechanical coupling in Pb(Mg1/3Nb2/3)O-3-PbTiO3 < 001 >(C) radially textured cylinders
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7:1:69:8 Combined Structural and Quantitative Texture Analysis of Morphotropic Phase Boundary Pb(Mg1/3Nb2/3)O-3-PbTiO3 Ceramics
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7:1:69:9 Pb(Mg1/3Nb2/3)O-3-PbTiO3 Textured Ceramics with High Piezoelectric Response by a Novel Templated Grain Growth Approach
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7:1:69:10 Fatigue mechanism of textured Pb(Mg1/3Nb2/3)O-3-PbTiO3 ceramics
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7:1:69:11 Fabrication and properties of radially < 001 >(C) textured PMN-PT cylinders for transducer applications
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7:1:70:1 Resistance degradation in donor-doped PZT ceramic stacks with Ag/Pd electrodes: I. Phenomenology of processes
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7:1:70:2 Oxygen tracer diffusion in donor doped barium titanate
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7:1:70:3 Determination of electronic and ionic conductivity in mixed ionic conductors: HiTEC and in-situ impedance spectroscopy analysis-of isovalent and aliovalent doped BaTiO3
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7:1:70:4 Oxide Ion Transport in Donor-Doped Pb(ZrxTi1-x)O-3: Near-Surface Diffusion Properties
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7:1:70:5 Electrical properties and structure of grain boundaries in n-conducting BaTiO3 ceramics
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7:1:70:6 Mixed conduction and chemical diffusion in a Pb(Zr-0.53,Ti-0.47)O-3 buried capacitor structure
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7:1:70:7 Kinetics of Oxygen Diffusion into Multilayer Ceramic Capacitors During the Re-oxidation Process and its Implications on Dielectric Properties
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7:1:70:8 Conductive AFM and chemical analysis of highly conductive paths in DC degraded PZT with Ag/Pd electrodes
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7:1:70:9 Pb loss in Pb(Zr,Ti)O(3) ceramics observed by in situ ionic conductivity measurements
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7:1:70:10 Oxygen vacancy redistribution in PbZrxTi1-xO3 (PZT) under the influence of an electric field
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7:1:70:13 Strongly enhanced incorporation of oxygen into barium titanate based multilayer ceramic capacitors using water vapor
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7:1:70:14 Modeling of electrical properties of grain boundaries in n-conducting barium titanate ceramics as a function of temperature and dc-bias
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7:1:70:15 Electrical transport properties of transparent PLZT ceramics: Bulk and grain boundaries
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7:1:70:18 Semiconductivity in Acceptor-Doped BaTi1-xHoxO3-x/2-delta/2
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7:1:71:2 Effects of surface tension on the size-dependent ferroelectric characteristics of free-standing BaTiO3 nano-thin films
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7:1:71:3 Surface potential at a ferroelectric grain due to asymmetric screening of depolarization fields
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7:1:71:4 Domain wall stability in ferroelectrics with space charges
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7:1:71:10 Large electric field induced strains in ferroelectric islands
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7:1:72:1 Coupling and competition between ferroelectric and antiferroelectric states in Ca-doped Sr0.9-xBa0.1CaxTiO3: Multipolar states
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7:1:72:2 Strong green light emission in Ho doped Bi4Ti3O12 ferroelectric ceramics
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7:1:72:5 Synthesis of bright multicolor down and upconversion emitting Y2Te4O11:Er:Yb nanocrystals
DOI:10.1016/j.jallcom.2013.03.252 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:6 AU: Dwivedi, Y.;Mishra, Kavita;Rai, S. B.;
7:1:72:6 Upconversion photoluminescence and dielectric properties in Er3+ and Yb3+ co-doped Sr4La2Ti4Nb6O30
DOI:10.1016/j.matlet.2014.04.109 JN:MATERIALS LETTERS PY:2014 TC:4 AU: Wei, T.;Wang, Y. Q.;Zhao, C. Z.;Dong, X. X.;Wang, J. H.;
7:1:72:7 Enhanced ferroelectric and photoluminescence properties in Sr1-1.5xHoxBi2Nb2O9 ceramics
DOI:10.1016/j.materresbull.2013.07.001 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:3 AU: Wei, T.;Zhao, C. Z.;Li, C. P.;Zhan, L. Q.;Jin, Q.;Yang, X. F.;
7:1:72:8 Upconversion luminescence and ferroelectric properties of Er3+ doped Bi4Ti3O12-SrBi4Ti4O15
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7:1:72:9 Photoluminescence and ferroelectric properties in Eu doped Bi4Ti3O12-SrBi4Ti4O15 intergrowth ferroelectric ceramics
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7:1:72:10 Photoluminescence and structural properties of Ca3Y(VO4)(3): RE3+ (=Sm3+, Ho3+ and Tm3+) powder phosphors for tri-colors
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7:1:72:11 Improved ferroelectric and fatigue properties in Zr doped Bi4Ti3O12 thin films
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7:1:72:12 Bright green upconversion emission and enhanced ferroelectric polarization in Sr1-1.5xErxBi2Nb2O9
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7:1:73:1 Broadband gigahertz dynamics of relaxor ferroelectric Pb(Sc1/2Nb1/2)O-3-xPbTiO(3) single crystal probed by Brillouin scattering
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7:1:73:2 Crossover in the mechanism of ferroelectric phase transition of Pb[(Mg1/3Nb2/3)(1-x)Ti-x]O-3 single crystals studied by Brillouin light scattering
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7:1:73:3 Micro-Brillouin Scattering of Relaxor Ferroelectrics with Perovskite Structure
DOI:10.1080/00150193.2010.482885 JN:FERROELECTRICS PY:2010 TC:13 AU: Kojima, Seiji;Tsukada, Shinya;
7:1:73:4 Role of dynamic polar nanoregions in heterovalent perovskite relaxor: Inelastic light scattering study of ferroelectric Ti rich Pb(Zn1/3Nb2/3)O-3-PbTiO3
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7:1:73:5 Order-disorder behavior of ferroelectric phase transition of KTa1-xNbxO3 probed by Brillouin scattering
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7:1:73:6 High-resolution Brillouin scattering studies of phase transitions and precursor phenomena in PbZr0.78Sn0.22O3 single crystals
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7:1:73:7 Pressure effects on relaxor ferroelectricity in disordered Pb(Sc1/2Nb1/2)O-3
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7:1:73:8 Relaxor-like dynamics of ferroelectric K(Ta1-xNbx)O-3 crystals probed by inelastic light scattering
DOI:10.1063/1.4893363 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Rahaman, M. M.;Imai, T.;Miyazu, J.;Kobayashi, J.;Tsukada, S.;Helal, M. A.;Kojima, S.;
7:1:73:9 Anomalous behavior of acoustic phonon mode and central peak in Pb(Zn1/3Nb2/3)(0.85)Ti0.15O3 single crystal studied using Brillouin scattering
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7:1:73:10 Micro-Brillouin Scattering of Normal and Relaxor Ferroelectrics
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7:1:73:11 Brillouin spectroscopic study of central peak in NaNbO3 single crystal
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7:1:73:12 Evolution of polar order in (1-x)Pb(In1/2Nb1/2)O-3-xPbTiO(3) (0 <= x <= 1) system as investigated by dielectric and Raman spectroscopy
DOI:10.1063/1.4791572 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Ramesh, G.;Subramanian, V.;Sivasubramanian, V.;
7:1:73:13 Raman and Brillouin Scattering Study of Lead-Free Ferroelectric (1-x)(Na0.5Bi0.5) TiO3-xBaTiO(3) Single Crystals
DOI:10.1080/00150193.2011.542696 JN:FERROELECTRICS PY:2011 TC:0 AU: Onda, Yosuke;Tsukada, Shinya;Kojima, Seiji;
7:1:73:14 Study of Dielectric Properties and Phase Transformation of Thermally Modified Nano-Composite PbIn1/2Nb1/2O3
DOI:10.1080/00150193.2012.671106 JN:FERROELECTRICS PY:2012 TC:2 AU: Kania, A.;Waclawczyk, K.;Miga, S.;Kugel, G. E.;
7:1:73:15 Strain Relaxation at Nanometer Scale in Partially Disordered Pb(Sc1/2Ta1/2)O-3 Crystals
DOI:10.1080/00150193.2011.594318 JN:FERROELECTRICS PY:2011 TC:0 AU: Kojima, S.;Sivasubramanian, V.;
7:1:73:16 Elastic Anomalies and Diffuse Phase Transitions of (1-x)(Na0.5Bi0.5)TiO3-xBaTiO3 Single Crystals Studied by Brillouin Scattering Spectroscopy
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7:1:74:1 Effect of BiAlO3 modification on the stability of antiferroelectric phase in PbZrO3 ceramics prepared by conventional solid state reaction
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7:1:74:2 The phase evolution with temperature in 0.94PbZrO(3)-0.06Pb(Mg1/2W1/2)O-3 antiferroelectric ceramic
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7:1:74:3 Phase Transition Behavior of the (1-x)PbZrO3-xBa(Al1/2Nb1/2)O3 Solid Solution
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7:1:74:4 Phase transition behavior of Ba(Mg1/3Nb2/3)O-3 modified PbZrO3 solid solution
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7:1:74:5 Preparation and dielectric properties of compositionally graded lead barium zirconate thin films
DOI:10.1016/j.jallcom.2010.04.104 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:11 AU: Hao, Xihong;Zhang, Zhiqing;Zhou, Jing;An, Shengli;Zhai, Jiwei;
7:1:74:6 Antiferroelectric-ferroelectric phase transition in lead zinc niobate modified lead zirconate ceramics: crystal studies, microstructure, thermal and electrical properties
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7:1:74:7 Synthesis and phase evolution of electrospun antiferroelectric lead zirconate (PbZrO3) nanofibers
DOI:10.1016/j.mseb.2012.05.003 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2012 TC:3 AU: Nawanil, Chanisa;Boomchom, Banjong;Prachayawarakorn, Jutarat;Vittayakorn, Wanwilai C.;Vittayakorn, Naratip;
7:1:74:8 Influence of Pb(In1/2Nb1/2)O-3 on the Phase Transitions, Electrical, and Thermal Properties of a PbZrO3 Ceramic
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7:1:74:9 Effect of A-site and B-site ion replaced with small ions on the intermediate phase in PbZrO3 ceramic
DOI:10.1016/j.matchemphys.2013.12.010 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2014 TC:1 AU: Sukkha, Usa;Vittayakorn, Wanwilai;Muanghlua, Rangson;Niemcharoen, Surasak;Vittayakorn, Naratip;
7:1:74:10 Effect of Pb(Y1/2Nb1/2)O-3 Additions on Thermal and Electrical Properties of PbZrO3 Ceramics
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7:1:74:11 Effect of Pb(Ni1/2W1/2)O-3 on the Phase Transition Behavior of PbZrO3 Ceramic
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7:1:74:12 Effect of Pb (Yb1/2Nb1/2)O-3 on phase transition and thermal and electrical properties of PZ-PYbN solid solution on PZ-rich side
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7:1:74:13 Effect of Chemical Treatment on Phase Transition of Lead Zirconate Nanofibers
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7:1:74:14 Characterization and Dielectric Properties of Nanocomposite Made of Lead Zirconate Nanofibers and Polyvinylidene Fluoride Improved with Carbon Nanotubes
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7:1:75:1 Synthesis and characterizations of KNN ferroelectric ceramics near 50/50 MPB
DOI:10.1016/j.ceramint.2012.05.093 JN:CERAMICS INTERNATIONAL PY:2013 TC:20 AU: Kumar, P.;Pattanaik, M.;Sonia;
7:1:75:2 Enhanced d(33) value of Bi0.5Na0.5TiO3-(Ba0.85Ca0.15)(Ti0.90Zr0.10)O-3 lead-free ceramics
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7:1:75:3 Effect of Ba0.85Ca0.15Ti0.90Zr0.10O3 content on the microstructure and electrical properties of Bi-0.51(Na0.82K0.18) 0.50TiO3 ceramics
DOI:10.1016/j.ceramint.2012.02.074 JN:CERAMICS INTERNATIONAL PY:2012 TC:11 AU: Qiao, Sha;Wu, Jiagang;Wu, Bo;Zhang, Binyu;Xiao, Dingquan;Zhu, Jianguo;
7:1:75:4 Microstructure and electrical properties of (Na0.5K0.5)(1-2x)MgxNbO3-Bi0.5Na0.5TiO3 lead-free piezoelectric ceramics
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7:1:75:5 Microstructure and Electrical Properties of K0.5Na0.5NbO3-LiSbO3-BiFeO3-x %molZnO Lead-Free Piezoelectric Ceramics
DOI:10.1007/s11664-013-2875-6 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2014 TC:1 AU: Zhao, Xiayan;Wang, Hua;Xu, Jiwen;Yuan, Changlai;Zhai, Xia;Cui, Yerang;
7:1:75:6 Investigation of a new lead-free (0.89-x)(Bi0.5Na0.5)TiO3-0.11(Bi0.5K0.5) TiO3-xBa(0.85)Ca(0.15)Ti(0.90)Zr(0.10)O(3) ceramics
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7:1:75:7 Dielectric and Piezoelectric Properties of Lead Free (1-x) [(Bi0.5Na0.5)TiO3]-x[Ba(Zr0.2Ti0.8)O-3-(Ba0.7Ca0.3)TiO3] Ceramics
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7:1:75:8 Microstructure and electric properties of lead-free 0.8Bi(1/2)Na(1/2)TiO(3)-0.2Bi(1/2)K(1/2)TiO(3) ceramics
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7:1:75:9 Fabrication and properties of Na0.9K0.1NbO3 nanostructures by molten salt synthesis
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7:1:75:10 Microstructure and electrical properties of relaxor (1-x)[(K0.5Na0.5)(0.95)Li-0.05](Nb0.95Sb0.05)O-3-xBaTiO(3) piezoelectric ceramics
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7:1:75:11 Phase structures and electrical properties of (1-x)(K0.48Na0.52) NbO3-x(Ba0.85Ca0.15)(Zr0.1Ti0.9)O-3 lead-free ceramics
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7:1:76:1 Nanodomains in KNN- Based Lead- Free Piezoelectric ceramics: Origin of Strong Piezoelectric Properties
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7:1:76:2 Low Temperature Sintering and Enhanced Piezoelectricity of Lead-Free (Na0.52K0.4425Li0.0375)(Nb0.86Ta0.06Sb0.08)O-3 Ceramics Prepared from Nano-Powders
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7:1:76:3 Two-Step Sintering: An Approach to Broaden the Sintering Temperature Range of Alkaline Niobate-Based Lead-Free Piezoceramics
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7:1:76:4 Phase Transition and High Piezoelectric Properties of Li-0.058(Na0.52+xK0.48)(0.942)NbO3 Lead-Free Ceramics
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7:1:76:5 Properties of Ultrafine-Grained Na0.5K0.5NbO3 Ceramics Prepared From Nanopowder
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7:1:76:6 Ferroelectric domain morphology and structure in Li-doped (K,Na)NbO3 ceramics
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7:1:76:7 The effect of pre-annealing on the microstructure of (K,Na)NbO3 ceramics
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7:1:76:8 Displacement of Ta-O bonds near polymorphic phase transition in Li-, Ta-, and Sb-modified (K, Na) NbO3 ceramics
DOI:10.1063/1.4884381 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Huan, Yu;Wang, Xiaohui;Li, Longtu;
7:1:76:9 Theoretical Prediction and Experimental Validation of Enhancing the Piezoelectric Properties of (K, Na)NbO3 Modified by Li, Ta, and Sb According to the Linear Combination Rule
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7:1:76:10 Enhanced piezoelectric properties of (Na0.53K0.47)(Nb1-xTax)O-3 ceramics by Ta substitution
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7:1:76:11 Impedance Spectroscopy of Sodium Excess Ta-Modified (K0.5Na0.5)NbO3 Ceramics Prepared by Reactive Templated Grain Growth
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7:1:76:12 Controlling of the polymorphic phase transition on lead-free piezoelectric Li-0.08(Na0.52+xK0.48)(0.92)NbO3 ceramics
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7:1:76:13 Growth of (Na0.5K0.5)NbO3 single crystals by abnormal grain growth method from special shaped nano-powders
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7:1:76:14 Fine structural analysis and phase transition behavior for Li-modified Na0.5K0.5NbO3 lead-free piezoelectric ceramics
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7:1:76:15 Preparation and electrical properties of NaNbO3 ceramics synthesized by topochemical microcrystal conversion
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7:1:76:16 Determining the Stoichiometry of (K,Na)NbO3 Using Optimized Energy-Dispersive X-Ray Spectroscopy and Electron Energy-Loss Spectroscopy Analyses in a Transmission Electron Microscope
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7:1:77:1 Influence of Mn doping on domain wall motion in Pb(Zr0.52Ti0.48)O-3 films
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7:1:77:2 The effect of Mg doping on the dielectric and tunable properties of Pb0.3Sr0.7TiO3 thin films prepared by sol-gel method
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7:1:77:3 Low Dielectric Loss and Good Dielectric Thermal Stability of xNd(Zn1/2Ti1/2)O-3(1-x)Ba0.6Sr0.4TiO3 Thin Films Fabricated by Sol-Gel Method
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7:1:77:4 Enhanced dielectric and tunable properties of barium strontium titanate thin films through introducing Nd(Zn1/2Ti1/2)O-3 and adjusting Ba/Sr
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7:1:77:5 Dielectric and Percolative Properties of Ba0.5Sr0.5TiO3-Mg3B2O6 Composite Ceramics
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7:1:77:6 Improvement of dielectric thermal stability of BST ferroelectric material for tunable applications
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7:1:77:7 Defects control for improved electrical properties in (Ba0.8Sr0.2)(Zr0.2Ti0.8)O-3 films by Co acceptor doping
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7:1:77:8 Epitaxial Pb(Zr-x,Ti1-x)O-3 (0.30 <= x <= 0.63) films on (100)MgO substrates for energy harvesting applications
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7:1:77:9 Effect of MgWO4 content on properties of Ba0.5Sr0.5TiO3 composite ceramics for tunable microwave applications
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7:1:77:10 Dependence of e(31,f) on polar axis texture for tetragonal Pb(Zr-x,Ti1-x)O-3 thin films
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7:1:77:11 Electrical Properties of Cr Doped Pb0.5Sr0.5TiO3 Thin Films Prepared by Chemical Solution Deposition Method
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7:1:77:12 Enhanced piezoelectric properties of (110)-oriented PbZr1-xTixO3 epitaxial thin films on silicon substrates at shifted morphotropic phase boundary
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7:1:78:1 Low-Temperature Sintering and Piezoelectric Properties of (Na0.5K0.5)NbO3 Lead-Free Piezoelectric Ceramics
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7:1:78:2 Small Reduction of the Piezoelectric d(33) Response in Potassium Sodium Niobate Thick Films
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7:1:78:3 Microstructural, structural, dielectric and piezoelectric properties of potassium sodium niobate thick films
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7:1:78:4 Electrical properties of Li doped sodium potassium niobate thick films prepared by a tape casting process
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7:1:78:5 Influence of Mn2+ on the electrical properties of textured KNN thick films
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7:1:78:6 Highly enhanced mechanical quality factor in lead-free (K0.5Na0.5)NbO3 piezoelectric ceramics by co-doping with K5.4Cu1.3Ta10O29 and CuO
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7:1:78:7 Large piezoelectric effect in lead-free Ba(Zr0.2Ti0.8)O-3-(Ba0.7Ca0.3)TiO3 films prepared by screen printing with solution infiltration process
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7:1:78:8 Low temperature sintering of lead-free Bi-0.5(Na0.82K0.18)(0.5)TiO3 piezoelectric ceramics by co-doping with CuO and Nb2O5
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7:1:78:9 Sintering Behaviour and Piezoelectric Properties of CuO-Added Lead-Free Bi(Na,K)TiO3 Ceramics
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7:1:78:10 Piezoelectric properties of CuO-added (Na0.5K0.5)NbO3 ceramic multilayers
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7:1:78:11 Influence of sintering conditions on piezoelectric properties of KNbO3 ceramics
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7:1:78:12 Low-Temperature Sintering and Piezoelectric Properties of CuO-Added KNbO3 Ceramics
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7:1:78:13 Low Temperature Production of Lead-Free Piezoelectric Thick Films
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7:1:79:1 Microstructure and dielectric properties of BaTiO3 ceramic doped with yttrium, magnesium, gallium and silicon for AC capacitor application
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7:1:79:2 Structural and relaxor behavior of (Ba1-xLax)(Ti0.85Sn0.15)O-3 ceramics obtained by solid state reaction
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7:1:79:3 Novel X7R BaTiO3 ceramics co-doped with La3+ and Ca2+ ions
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7:1:79:4 Defects characterization of Dy-doped BaTiO3 ceramics via electron paramagnetic resonance
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7:1:79:5 Structural and dielectric properties, electron paramagnetic resonance, and defect chemistry of Pr-doped BaTiO3 ceramics
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7:1:79:6 Defect chemistry of a high-k 'Y5V' (Ba0.95Eu0.05)TiO3 ceramic
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7:1:79:7 Structural evolution and dielectric properties of (Ba1-xNdx)(Ti1-yFey)O-3 ceramics
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7:1:79:8 Self-compensation characteristics of Eu ions in BaTiO3
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7:1:79:9 Synthesis, structure and electrical studies of praseodymium doped barium zirconium titanate
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7:1:79:10 In-situ diffuse phase transition at the Curie point of BaTiO3 induced by amphoteric Ce3+/Ce4+ ions
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7:1:79:11 Theoretical and experimental analysis for site preference of rare earth elements in BaTiO3
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7:1:79:12 Effect of Starting Materials on the Morphological and Optical Properties of Er Doped BaTiO3 Nanocrystalline Films
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7:1:79:13 Large Dielectric Constant and Maxwell-Wagner Effects in BaTiO3/Cu Composites
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7:1:79:14 Structural and optical properties of rare earth-doped (Ba0.77Ca0.23)(1-x)(Sm, Nd, Pr, Yb)(x)TiO3
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7:1:79:15 The Effects of 3d Admixtures on Properties of Relaxor PLZT8/65/35 Ceramics
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7:1:80:1 Transparent Eu3+-Doped Ferroelectric Bismuth Titanate Glass-Ceramic Nanocomposites: Fabrication and Properties
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7:1:80:2 Synthesis and Characterization of Eu3+-Doped Transparent Glass- ceramics Containing Nanocrystalline (SrNbO3)-Nb-II-O-IV
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7:1:80:3 Transparent Nd3+-doped bismuth titanate glass-ceramic nanocomposites: Fabrication and properties
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7:1:80:4 Two dielectric relaxation mechanisms observed in lanthanum doped barium strontium titanate glass ceramics
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7:1:80:5 Crystallization behavior, microstructure and dielectric properties of lead titanate glass ceramics in the presence of Bi2O3 as a nucleating agent
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7:1:80:6 Crystallization kinetics and dielectric properties of barium strontium titanate based glass-ceramics
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7:1:80:7 Microstructure of Eu3+-Doped Perovskites-Type Niobate Ceramic La3Mg2NbO9
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7:1:80:8 Synthesis and properties of glasses in the K2O-SiO2-Bi2O3-TiO2 system and bismuth titanate (Bi4Ti3O12) nano glass-ceramics thereof
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7:1:80:9 Bulk crystallisation of (001) oriented fresnoite Sr2TiSi2O8 in glass-ceramics of the Sr-Ti-Si-K-B-O system
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7:1:80:10 Study of Ferroelectric Domain Structure of Barium Strontium Titanate Based Glass-Ceramics
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7:1:80:11 Synthesis, structure and impedance spectroscopic analysis of [(Pb Sr-x(1-x))center dot OTiO2]-[(2SiO(2)center dot B2O3)]-7[BaO]-3[K2O] glass ceramic system doped with La2O3
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7:1:81:1 Intrinsically tunable 0.67BiFeO(3)-0.33BaTiO(3) thin film bulk acoustic wave resonators
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7:1:81:2 Tunable thin film bulk acoustic wave resonators with improved Q-factor
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7:1:81:3 Correlations between microstructure and Q-factor of tunable thin film bulk acoustic wave resonators
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7:1:81:4 Intrinsically switchable thin film bulk acoustic wave resonators
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7:1:81:5 Intrinsically tunable bulk acoustic wave resonators based on sol-gel grown PMN-PT films
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7:1:81:6 Effect of interface roughness on acoustic loss in tunable thin film bulk acoustic wave resonators
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7:1:81:7 Improvement of barium strontium titanate solidly mounted resonator quality factor by reduction in electrode surface roughness
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7:1:81:8 Effect of growth conditions on microstructure of BiFeO3-0.33BaTiO(3) films and performance of bulk acoustic wave resonators
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7:1:81:9 The field induced e(31,f) piezoelectric and Rayleigh response in barium strontium titanate thin films
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7:1:81:10 Adhesion layer-bottom electrode interaction during BaxSr1-xTiO3 growth as a limiting factor for device performance
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7:1:81:11 Ferroelectric film bulk acoustic wave resonators for liquid viscosity sensing
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7:1:81:12 Thin film bulk acoustic wave resonators tuning from first principles
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7:1:81:13 Selective normal mode excitation in multilayer thin film bulk acoustic wave resonators
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7:1:81:14 Microwave Response of BiFeO3 Films in Parallel-Plate Capacitors
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7:1:81:15 A PMMA coated PMN-PT single crystal resonator for sensing chemical agents
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7:1:82:1 Grain size effect on the dielectric nonlinearity of BaTiO3 ceramics
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7:1:82:2 Domain Wall Motion in A and B Site Donor-Doped Pb(Zr0.52Ti0.48)O-3 Films
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7:1:82:3 Effect of Grain Size on Dielectric Nonlinearity in Model BaTiO3-Based Multilayer Ceramic Capacitors
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7:1:82:4 Effect of Ca incorporation on the dielectric nonlinear behavior of (Ba, Ca)TiO3 multi layer ceramic capacitors
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7:1:82:5 Effect of Oxygen Partial Pressure During Firing on the High AC Field Response of BaTiO3 Dielectrics
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7:1:82:6 Influence of excess Ba concentration on the dielectric nonlinearity in Mn and V-doped BaTiO3 multi layer ceramic capacitors
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7:1:82:7 Preisach Modeling on Temperature Dependent Mean-Field Ising-Hysteresis
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7:1:82:8 Dielectric long time relaxation of domains walls in PbZrTiO3 thin films
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7:1:82:9 Difference between compositional and grain size effect on the dielectric nonlinearity of Mn and V-doped BaTiO3 multilayer ceramic capacitors
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7:1:82:10 Influence of Li doping on domain wall motion in Pb(Zr0.52Ti0.48)O-3 films
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7:1:82:11 Polarization Reversal in Relaxor PZN-PT Single Crystals
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7:1:82:12 Description of the low field nonlinear dielectric properties of ferroelectric and multiferroic materials
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7:1:82:14 Double Loops Formation in Sr0.75Ba0.25Nb2O6 Single Crystals in Relaxor Phase
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7:1:83:1 Defect dipoles and electrical properties of magnesium B-site substituted sodium potassium niobates
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7:1:83:4 Structures and temperature-dependent electrical properties in Ba0.8Sr0.2TiO3-BiAlO3 electrostrictive ceramics
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7:1:83:5 Effect of Nd3+ substitution on electric field induced strain behavior in lead zirconate stannate titanate (68/22/10) ceramics
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7:1:83:6 Effects of glass additions on high pyroelectric response of low-temperature sintered Pb0.87Ba0.1La0.02(Zr0.7Sn0.24Ti0.06)O-3 antiferroelectric ceramics
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7:1:83:7 Large pyroelectric response in (Pb0.87La0.02Ba0.1)(Zr0.7Sn0.3-x Ti (x) )O-3 antiferroelectric ceramics under DC bias field
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7:1:83:8 High pyroelectric properties of (Pb0.87La0.02Ba0.1)(Zr0.75Sn0.25-xTix)O-3 ceramics near AFE/RFE phase boundary under DC bias field
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7:1:83:9 Large electric field-induced strain near AFE/FE phase boundary in (Pb0.97La0.02)(Zr, Sn, Ti)O-3 system
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7:1:83:10 Enhanced pyroelectric property in (1-x)(Bi0.5Na0.5) TiO3-xBa(Zr0.055Ti0.945)O-3: Role of morphotropic phase boundary and ferroelectric-antiferroelectric phase transition
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7:1:83:11 Influence of Sr/Ba ratio on the dielectric, ferroelectric and pyroelectric properties of strontium barium niobate ceramics
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7:1:83:12 High pyroelectric response of low-temperature sintered Pb0.87Ba0.1La0.02 (Zr0.7Sn0.24Ti0.06)O-3 antiferroelectric ceramics
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7:1:84:1 Piezoelectric properties and time stability of lead-free (Na0.52K0.44Li0.04)Nb1-x-ySbxTayO3 ceramics
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7:1:84:2 Advantages of Low Partial Pressure of Oxygen Processing of Alkali Niobate: NaNbO3
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7:1:84:3 Effects of CuO doping on the electrical properties of 0.98K(0.5)Na(0.5)NbO(3)-0.02BiScO(3) lead-free piezoelectric ceramics
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7:1:84:4 Low temperature fabrication of lead-free KNN-LS-BS ceramics via the combustion method
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7:1:84:5 Piezoelectric and dielectric properties of K0.5Na0.5NbO3-LiSbO3-BiScO3 lead-free piezoceramics
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7:1:84:7 Phase Formation, Microstructure and Electrical Properties of KNN-BZT Ceramics Fabricated via Combustion Technique
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7:1:84:8 Hydrothermal synthesis and characterization of (1-x)K0.5Na0.5NbO3-xBi(0.5)Na(0.5)TiO(3) lead-free ceramics
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7:1:84:9 Influence of B-site non-stoichiometry on structure and electrical properties of KNLNS lead-free piezoelectric ceramics
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7:1:84:10 Effects of CuO on the Electrical Properties of CaTiO3-Modified [(Na0.52K0.48)(0.955)Li-0.045](Nb0.955Sb0.045)O-3 Lead-Free Piezoceramics
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7:1:84:11 Defect dipoles-driven ferroelectric behavior in potassium sodium niobate ceramics
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7:1:84:12 Structure and Electrical Properties of (1-x)[(K0.5Na0.5)(0.95)Li-0.05](Nb0.95Sb0.05)O-3-xSrTiO(3) Lead-Free Piezoelectric Ceramics with Improved Temperature Stability
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7:1:84:13 Property-processing relations in developing thermoelectric ceramics: Na1-x Co2O4
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7:1:84:14 The effects of sintering temperature and content of x on phase formation, microstructure and dielectric properties of (1-x)(Bi0.4871Na0.4871La0.0172TiO3)-x(BaZr(0.05)Ti(0.9)5O(3)) ceramics prepared via the combustion technique
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7:1:84:15 Fabrication of 0.62[0.75PMN-0.25PYbN]-0.38PT Ceramics Using One Step Calcination via Combustion Technique
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7:1:84:16 Sintering Behavior of KNN-BNKT Lead-free Piezoelectric Ceramics
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7:1:85:1 Structure-property relationships in BaTiO3-BiFeO3-BiYbO3 ceramics
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7:1:85:2 Average and Local Structure of (1-x)BaTiO3-xLaYO(3) (0 <= x <= 0.50) Ceramics
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7:1:85:3 Weak-relaxor behaviour in Bi/Yb-doped KNbO3 ceramics
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7:1:85:4 Use of Raman spectroscopy to determine the site occupancy of dopants in BaTiO3
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7:1:85:5 Ferroelectric-to-Relaxor Crossover in (1-x)BaTiO3-xBiYbO(3) (0 <= x <= 0.08) Ceramics
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7:1:85:6 Structure and Dielectric Properties of BaTiO3-BiYO3 Perovskite Solid Solutions
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7:1:85:7 Dielectric properties and related ferroelectric domain configurations in multiferroic BiFeO3-BaTiO3 solid solutions
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7:1:85:8 Structure and dielectric properties of (1-x)Ag0.9Li0.1NbO3-(x)Bi0.5K0.5TiO3 ferroelectric ceramics
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7:1:85:9 Effects of average and local structure on the dielectric behavior of (1-x)BaTiO3-xLaYO(3) (0 <= x <= 0.40) ceramics
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7:1:85:10 Direct preparation of ultrafine BaTiO3 nanoparticles by chemical vapor synthesis
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7:1:86:1 (K,Na)NbO3-Based Ceramics for Piezoelectric "Hard"Lead-Free Materials
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7:1:86:2 Ferroelectric Domain Structures and Electrical Properties of Fine-Grained Lead-Free Sodium Potassium Niobate Ceramics
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7:1:86:3 Exploring different sintering atmospheres to reduce nonlinear response of modified KNN piezoceramics
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7:1:86:4 Investigation of CuO-Doped NKN Ceramics with High Mechanical Quality Factor Synthesized by a B-Site Oxide Precursor Method
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7:1:86:6 Low-Temperature Sintering of Dense (Na,K)NbO3 Piezoelectric Ceramics Using the Citrate Precursor Technique
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7:1:86:7 Low temperature consolidated lead-free ferroelectric niobate ceramics with improved electrical properties
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7:1:86:8 Differences Between Copper-Oxide- and Zinc-Oxide-Doped Sodium Potassium Niobate Ceramics
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7:1:86:9 Effect of K/Na ratio on piezoelectric properties of modified-(K1-xNax)NbO3 "Hard" lead-free piezoelectrics
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7:1:86:10 Shear-Mode Piezoelectric Properties of Modified-(K,Na)NbO3 Ceramics for "Hard" Lead-Free Materials
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7:1:86:11 Ferroelectric Bi(Na,K)TiO3-based materials for lead-free piezoelectrics
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7:1:86:12 Effects of K Excess on the Preparation and Characterization of (K0.5Na0.5)NbO3 Ceramics
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7:1:86:13 Effects of modified-process on the microstructure, internal bias field, and activation energy in CuO-doped NKN ceramics
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7:1:87:1 Misfit strain dependence of ferroelectric and piezoelectric properties of clamped (001) epitaxial Pb(Zr-0.52, Ti-0.48)O-3 thin films
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7:1:87:2 Stress-controlled Pb(Zr0.52Ti0.48)O-3 thick films by thermal expansion mismatch between substrate and Pb(Zr0.52Ti0.48)O-3 film
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7:1:87:3 Epitaxial PZT films for MEMS printing applications
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7:1:87:4 Structural Modification and Large Piezoelectricity of Strained (Na, Bi) TiO3-BaTiO3 Epitaxial Thin Films
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7:1:87:5 Piezoelectric MEMS for energy harvesting
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7:1:87:6 Experimental evidence for orientation property of Pb(Zr0.35Ti0.65)O-3 by manipulating polar axis angle using CaF2 substrate
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7:1:87:7 Strain-driven control of piezoelectricity in (Na,Bi)TiO3-BaTiO3 epitaxial thin films
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7:1:87:8 Effect of dopants on ferroelectric and piezoelectric properties of lead zirconate titanate thin films on Si substrates
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7:1:87:9 2-2 Structured Magnetoelectric Composites by Aerosol Deposition
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7:1:87:10 Stress Modulation and Ferroelectric Properties of Nanograined PbTiO3 Thick Films on the Different Substrates Fabricated by Aerosol Deposition
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7:1:87:11 Loycal atomic and electronic structures and ferroelectric properties of PbZr0.52Ti0.48O3: An x-ray absorption study
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7:1:87:12 Freestanding piezoelectric rings for high efficiency energy harvesting at low frequency
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7:1:87:13 Local atomic and electronic structures and ferroelectric properties of PbZr0.52Ti0.48O3: An x-ray absorption study (vol 99, 042909, 2011)
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7:1:87:14 The extraordinary role of the AlN interlayer in growth of AlN sputtered on Ti electrodes
DOI:10.1063/1.4835035 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Tran, A. T.;Pandraud, G.;Tichelaar, F. D.;Nguyen, M. D.;Schellevis, H.;Sarro, P. M.;
7:1:88:1 Bi1/2Na1/2TiO3-BaTiO3 based thick-film capacitors for high-temperature applications
DOI:10.1016/j.jeurceramsoc.2013.07.020 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:3 AU: Zang, Jiadong;Jo, Wook;Zhang, Haibo;Roedel, Juergen;
7:1:88:2 Electrical properties of Bi(Ni1/2Ti1/2)O-3-PbTiO3 high-T-c piezoelectric ceramics fabricated by the microwave sintering process
DOI:10.1016/j.mseb.2013.09.012 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2014 TC:2 AU: Jiang, Shenglin;Zhu, Zhongjiang;Zhang, Ling;Xiong, Xue;Yi, Jinqiao;Zeng, Yike;Liu, Wen;Wang, Qing;Han, Kuo;Zhang, Guangzu;
7:1:88:3 Dielectric, Ferroelectric, Pyroelectric, and Piezoelectric Properties of La-Modified Lead-Free Sodium-Potassium Bismuth Titanate Thick Films
DOI:10.1111/j.1551-2916.2009.03450.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:9 AU: Zhang, Haibo;Jiang, Shenglin;Kajiyoshi, Koji;Xiao, Jianzhong;
7:1:88:4 Effects of Bi2O3-Li2CO3 additions on dielectric and pyroelectric properties of Mn doped Pb(Zr0.9Ti0.1)O-3 thick films
DOI:10.1016/j.ceramint.2012.10.204 JN:CERAMICS INTERNATIONAL PY:2013 TC:8 AU: Zeng, Yike;Yao, Fei;Zhang, Guangzu;Liu, Sisi;Jiang, Shenglin;Yu, Yan;He, Jungang;Zhang, Ling;Yi, Jinqiao;
7:1:88:5 Preparation and Electrical Properties of High-T-C Piezoelectric Ceramics of Strontium-Substituted Bi(Ni1/2Ti1/2)O-3-PbTiO3
DOI:10.1111/j.1551-2916.2012.05078.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:13 AU: Kang, Huajun;Chen, Jun;Liu, Laijun;Hu, Changzheng;Fang, Liang;Xing, Xianran;
7:1:88:6 Synthesis and properties of Pb(Zn1/3Nb2/3)O-3 modified Pb(Zr0.95Ti0.05)O-3 pyroelectric ceramics
DOI:10.1016/j.ceramint.2014.01.081 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Wei, Hui;Chen, Yongjun;
7:1:88:7 Low-Temperature Sintering and Electric Properties of Pb-0.99(Zr0.95Ti0.05)(0.98)Nb0.02O3 Ferroelectric Ceramics with CuO Additive
DOI:10.1111/jace.12487 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:2 AU: Wang, Junxia;Wang, Genshui;Nie, Hengchang;Chen, Xuefeng;Cao, Fei;Dong, Xianlin;Gu, Yan;He, Hongliang;
7:1:88:8 Low-Temperature Sintering and Properties of 0.98PZT-0.02SKN Ceramics with LiBiO2 and CuO Addition
DOI:10.1111/j.1551-2916.2011.04504.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:8 AU: Zhang, Wenli;Eitel, Richard E.;
7:1:88:9 Nonlinear dielectric properties of (Bi0.5Na0.5)TiO3-based lead-free piezoelectric thick films
DOI:10.1063/1.3557525 JN:APPLIED PHYSICS LETTERS PY:2011 TC:1 AU: Zhang, Haibo;Jiang, Shenglin;Kajiyoshi, Koji;
7:1:88:10 Quenching-induced circumvention of integrated aging effect of relaxor lead lanthanum zirconate titanate and (Bi1/2Na1/2)TiO3-BaTiO3
DOI:10.1063/1.4788932 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Zang, Jiadong;Jo, Wook;Roedel, Juergen;
7:1:88:11 Low temperature preparation and electrical properties of sodium-potassium bismuth titanate lead-free piezoelectric thick films by screen printing
DOI:10.1016/j.jeurceramsoc.2010.07.012 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:6 AU: Zhang, Haibo;Jiang, Shenglin;Xiao, Jianzhong;Kajiyoshi, Koji;
7:1:88:12 Effects of Filler Size and Distribution on Viscous Behavior of Glass Composites
DOI:10.1111/j.1551-2916.2012.05181.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:4 AU: Samal, Sneha;Kim, Sunil;Kim, Hyungsun;
7:1:88:13 Tensile stress induced depolarization in [001]-poled transverse mode Pb(Zn-1/3Nb(2/3))O-3 -(6-7)%PbTiO3 single crystals
DOI:10.1063/1.3552587 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Shukla, Rahul;Lim, Leong-Chew;Gandhi, Prasanna;
7:1:88:14 Bimodal distribution of filler on viscosity and thermal expansion of glass composites
DOI:10.1016/j.ceramint.2012.08.008 JN:CERAMICS INTERNATIONAL PY:2013 TC:1 AU: Samal, Sneha;Cho, Sunghwan;Kim, Hyungsun;
7:1:89:1 Ferroelectric domain structure of anisotropically strained NaNbO3 epitaxial thin films
DOI:10.1063/1.4876906 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Schwarzkopf, J.;Braun, D.;Schmidbauer, M.;Duk, A.;Woerdenweber, R.;
7:1:89:2 Anisotropic ferroelectric properties of anisotropically strained epitaxial NaNbO3 films
DOI:10.1063/1.4882296 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Cai, B.;Schwarzkopf, J.;Hollmann, E.;Schmidbauer, M.;Abdel-Hamed, M. O.;Woerdenweber, R.;
7:1:89:3 Phase diagrams, dielectric response, and piezoelectric properties of epitaxial ultrathin (001) lead zirconate titanate films under anisotropic misfit strains
DOI:10.1063/1.3386465 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:10 AU: Qiu, Q. Y.;Alpay, S. P.;Nagarajan, V.;
7:1:89:4 Impact of compressive in-plane strain on the ferroelectric properties of epitaxial NaNbO3 films on (110) NdGaO3
DOI:10.1063/1.4822328 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Woerdenweber, R.;Schwarzkopf, J.;Hollmann, E.;Duk, A.;Cai, B.;Schmidbauer, M.;
7:1:89:5 Relaxor ferro- and paraelectricity in anisotropically strained SrTiO3 films
DOI:10.1063/1.4802676 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Woerdenweber, R.;Schubert, J.;Ehlig, T.;Hollmann, E.;
7:1:89:6 Ferroelectric Q-phase in a NaNbO3 epitaxial thin film
DOI:10.1063/1.3437090 JN:APPLIED PHYSICS LETTERS PY:2010 TC:10 AU: Yuzyuk, Yu. I.;Shakhovoy, R. A.;Raevskaya, S. I.;Raevski, I. P.;El Marssi, M.;Karkut, M. G.;Simon, P.;
7:1:89:7 Anisotropic one-dimensional domain pattern in NaNbO3 epitaxial thin films grown on (110) TbScO3
DOI:10.1063/1.4794405 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Duk, A.;Schmidbauer, M.;Schwarzkopf, J.;
7:1:89:8 Enhanced ferroelectric polarization in tetragonally strained NaNbO3 thin film on single crystal Rh substrate
DOI:10.1016/j.jcrysgro.2012.04.009 JN:JOURNAL OF CRYSTAL GROWTH PY:2012 TC:5 AU: Maeng, W. J.;Jung, I.;Son, J. Y.;
7:1:89:9 Observation of domain structure in 001 orientated NaNbO3 films deposited on (001)SrTiO3 substrates by laser beam scanning microscopy
DOI:10.1063/1.3330963 JN:APPLIED PHYSICS LETTERS PY:2010 TC:7 AU: Yamazoe, Seiji;Sakurai, Hiroyuki;Saito, Takehisa;Wada, Takahiro;
7:1:89:10 Laser beam scanning microscope and piezoresponse force microscope studies on domain structured in 001-, 110-, and 111-oriented NaNbO3 films
DOI:10.1063/1.4746079 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:9 AU: Yamazoe, Seiji;Kohori, Akihiro;Sakurai, Hiroyuki;Kitanaka, Yuuki;Noguchi, Yuji;Miyayama, Masaru;Wada, Takahiro;
7:1:89:11 Stress Generated Modifications of Structural and Morphologic Properties of Epitaxial SrTiO3 Films on Sapphire
DOI:10.1080/00150193.2012.677690 JN:FERROELECTRICS PY:2012 TC:1 AU: Woerdenweber, R.;Grellmann, T.;Greben, K.;Schubert, J.;Kutzner, R.;Hollmann, E.;
7:1:90:1 Grain size effect on the nonlinear dielectric properties of barium titanate ceramics
DOI:10.1063/1.3526375 JN:APPLIED PHYSICS LETTERS PY:2010 TC:27 AU: Curecheriu, Lavinia;Buscaglia, Maria Teresa;Buscaglia, Vincenzo;Zhao, Zhe;Mitoseriu, Liliana;
7:1:90:2 Enhanced dielectric and piezoelectric properties of Mn doped (Bi0.5Na0.5)TiO3-(Bi0.5K0.5)TiO3-SrTiO3 thin films
DOI:10.1016/j.jallcom.2013.05.127 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:9 AU: Li, Wei;Zeng, Huarong;Hao, Jigong;Zhai, Jiwei;
7:1:90:3 Effect of Anneal Conditions on Electrical Properties of Mn-Doped (Na0.85K0.15)(0.5)Bi0.5TiO3 Thin Films Prepared by Sol-Gel Method
DOI:10.1111/j.1551-2916.2010.04325.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:16 AU: Wu, Yunyi;Wang, Xiaohui;Zhong, Caifu;Li, Longtu;
7:1:90:4 Effects of Mn doping on structural and dielectric properties of sol-gel-derived (Ba0.835Ca0.165)(Zr0.09Ti0.91)O-3 thin films
DOI:10.1016/j.tsf.2012.03.132 JN:THIN SOLID FILMS PY:2012 TC:10 AU: Lin, Yanting;Miao, Xinrui;Qin, Ni;Zhou, Hong;Deng, Wenli;Bao, Dinghua;
7:1:90:5 Fabrication and Electrical Properties of Sol-Gel-Derived 0.63Bi(Mg1/2Ti1/2)O-3-0.37PbTiO(3) Thin Films
DOI:10.1111/j.1551-2916.2011.04856.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:7 AU: Liu, Longdong;Zuo, Ruzhong;
7:1:90:6 Structure and composition of Ba0.5Sr0.5TiO3 films deposited on (001) MgO substrates and the influence of sputtering pressure
DOI:10.1016/j.tsf.2013.09.057 JN:THIN SOLID FILMS PY:2013 TC:1 AU: Twigg, M. E.;Alldredge, L. M. B.;Chang, W.;Podpirka, A.;Kirchoefer, S. W.;Pond, J. M.;
7:1:90:7 Applicability of the Bruggeman Equation for Analyzing Dielectric Slurries Containing Ceramic Powders with High Permittivity
DOI:10.1111/j.1551-2916.2011.05010.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:3 AU: Zhou, Wei;Hinojosa, Beverly Brooks;Nino, Juan C.;
7:1:90:8 Effect of PbTiO3 seed layer on the orientation behavior and electrical properties of Bi(Mg1/2Ti1/2)O-3-PbTiO3 ferroelectric thin films
DOI:10.1016/j.ceramint.2012.10.229 JN:CERAMICS INTERNATIONAL PY:2013 TC:3 AU: Liu, Longdong;Zuo, Ruzhong;Liang, Qi;
7:1:90:9 Impedance spectroscopy of BaTiO3 cubes suspended in lossy liquids as a physical model of two-phase system
DOI:10.1063/1.3486461 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:3 AU: Jasinski, Piotr;Petrovsky, Vladimir;Dogan, Fatih;
7:1:90:10 Effective dielectric constant of two phase systems: Application to mixed conducting systems
DOI:10.1063/1.4743985 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Petrovsky, Vladimir;Jasinski, Piotr;Dogan, Fatih;
7:1:91:1 Phase transition behavior and electrical properties of [(K0.50Na0.50)(1-x)Ag-x](Nb1-xTax)O-3 lead-free ceramics
DOI:10.1016/j.jallcom.2009.09.047 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:10 AU: Wang, Yuanyu;Qibin, Liu;Zhao, Fei;
7:1:91:2 Phase transition, microstructure, and dielectric properties of Li/Ta/Sb co-doped (K, Na)NbO3 lead-free ceramics
DOI:10.1016/j.ceramint.2013.08.110 JN:CERAMICS INTERNATIONAL PY:2014 TC:4 AU: Qian, Shaohua;Zhu, Kongjun;Pang, Xuming;Liu, Jinsong;Qiu, Jinhao;Du, Jianzhou;
7:1:91:3 Co2O3 doped (Na0.65K0.35)NbO3 piezoceramics
DOI:10.1016/j.matlet.2010.03.036 JN:MATERIALS LETTERS PY:2010 TC:15 AU: Zang, Guo-Zhong;Yi, Xiu-Jie;Du, Juan;Wang, Yue-Fang;
7:1:91:4 Enhanced dielectric, ferroelectric and optical properties of lead free (K0.17Na0.83)NbO3 ceramic with WO3 addition
DOI:10.1016/j.mseb.2013.09.014 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2013 TC:1 AU: Rani, Jyoti;Yadav, K. L.;Prakash, Satya;
7:1:91:5 Combinatorial processing libraries for bulk BiFeO3-PbTiO3 piezoelectric ceramics
DOI:10.1007/s00339-010-5574-7 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:9 AU: Hu, W.;Tan, X.;Rajan, K.;
7:1:91:6 K0.5Na0.5NbO3-Based Lead-Free Transparent Electro-Optic Ceramics Prepared by Pressureless Sintering
DOI:10.1111/jace.12539 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:1 AU: Li, Faliang;Kwok, Kin-Wing;
7:1:91:7 Fabrication of transparent electro-optic (K0.5Na0.5)(1-x)LixNb1-xBixO3 lead-free ceramics
DOI:10.1016/j.jeurceramsoc.2012.08.017 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:11 AU: Li, Faliang;Kwok, K. W.;
7:1:91:8 Effect of monovalent ions on the piezoelectric properties of (Na0.5K0.5)NbO3-(M)TaO3 ceramics
DOI:10.1016/j.ceramint.2011.04.107 JN:CERAMICS INTERNATIONAL PY:2012 TC:3 AU: Lee, Young Seok;Kim, Young Ho;Kang, Dong Heon;
7:1:91:9 Electrical properties of [Ag-0.2(K0.52Na0.48)(0.8)](Nb1-xTax)O-3 ceramics
DOI:10.1016/j.ceramint.2012.10.198 JN:CERAMICS INTERNATIONAL PY:2013 TC:1 AU: Eoh, Young Jun;Cho, Jeong Ho;Kim, Byung Ik;Kim, Eung Soo;
7:1:91:10 Structural and Electrical Properties of AgTaO3-modified (Na0.465K0.465Li0.07) NbO3 Lead-Free Ceramics
DOI:10.1080/00150193.2013.850016 JN:FERROELECTRICS PY:2014 TC:0 AU: Bomlai, Pornsuda;Milne, Steven J.;
7:1:91:11 Effects of W2/3Bi1/3 substitute on piezoelectric properties of KNN-based ceramics
DOI:10.1016/j.matlet.2011.11.113 JN:MATERIALS LETTERS PY:2012 TC:4 AU: Du, Juan;Zang, Guo-Zhong;Yi, Xiu-Jie;Zhang, Da-Feng;Huang, Zhen-Feng;
7:1:91:12 Effects of Al2O3 on the ferroelectric properties of sodium potassium lithium niobate lead-free piezoceramics
DOI:10.1016/j.ceramint.2012.10.167 JN:CERAMICS INTERNATIONAL PY:2013 TC:0 AU: Lee, I. H.;Lee, H. S.;Kim, Y. H.;Gil, S. K.;Kang, D. H.;
7:1:91:13 Hot-pressed K0.48Na0.52Nb1-xBixO3 (x=0.05-0.15) lead-free ceramics for electro-optic applications
DOI:10.1016/j.matchemphys.2011.09.048 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:8 AU: Li, Kun;Li, Fa Liang;Wang, Yu;Kwok, Kin Wing;Chan, Helen Lai Wa;
7:1:91:14 Effects of AgNbO3 on Microstructure, Dielectric and Piezoelectric Properties of (Li,Na,K) (Nb,Ta,Sb,Cu)O3 System Ceramics
DOI:10.1080/10584587.2012.737217 JN:INTEGRATED FERROELECTRICS PY:2012 TC:0 AU: Lee, Kabsoo;Yoo, Juhyun;
7:1:92:1 Precursor dynamics in the ferroelectric phase transition of barium titanate single crystals studied by Brillouin light scattering
DOI:10.1103/PhysRevB.84.094123 JN:PHYSICAL REVIEW B PY:2011 TC:27 AU: Ko, Jae-Hyeon;Kim, Tae Hyun;Roleder, K.;Rytz, D.;Kojima, Seiji;
7:1:92:2 Broken Local Symmetry in Paraelectric BaTiO3 Proved by Second Harmonic Generation
DOI:10.1103/PhysRevLett.108.247601 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:21 AU: Pugachev, A. M.;Kovalevskii, V. I.;Surovtsev, N. V.;Kojima, S.;Prosandeev, S. A.;Raevski, I. P.;Raevskaya, S. I.;
7:1:92:3 Dielectric properties of 0.4Na(0.5)Bi(0.5)TiO(3)-(0.6-x)SrTiO3-xPbTiO(3) solid solutions
DOI:10.1016/j.actamat.2013.11.040 JN:ACTA MATERIALIA PY:2014 TC:3 AU: Svirskas, Sarunas;Ivanov, Maksim;Bagdzevicius, Sarunas;Macutkevic, Jan;Brilingas, Algirdas;Banys, Juras;Dec, Jan;Miga, Seweryn;Dunce, Marija;Birks, Eriks;Antonova, Maija;Sternberg, Andris;
7:1:92:4 Observation of rhombohedral nanostructures in the orthorhombic phase of KNbO3 using convergent-beam electron diffraction
DOI:10.1063/1.4791679 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;
7:1:92:5 Thermal hysteresis of local instabilities in paraelectric phase of PbZr0.96Sn0.04 O-3 single crystals
DOI:10.1063/1.4801980 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Jankowska-Sumara, Irena;Szot, Krzysztof;Majchrowski, Andrzej;Roleder, Krystian;
7:1:92:6 Nanoscale local structures of rhombohedral symmetry in the orthorhombic and tetragonal phases of BaTiO3 studied by convergent-beam electron diffraction
DOI:10.1103/PhysRevB.86.214106 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;
7:1:92:7 Two-dimensional mapping of polarizations of rhombohedral nanostructures in the tetragonal phase of BaTiO3 by the combined use of the scanning transmission electron microscopy and convergent-beam electron diffraction methods
DOI:10.1063/1.4819221 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Tsuda, Kenji;Yasuhara, Akira;Tanaka, Michiyoshi;
7:1:92:8 Phase Transitions in Li, K and Ag Modified Na1/2Bi1/2TiO3-SrTiO3-PbTiO3 Solid Solutions
DOI:10.1080/10584587.2012.730948 JN:FERROELECTRICS PY:2012 TC:0 AU: Dunce, M.;Birks, E.;Antonova, M.;Plaude, A.;Sternberg, A.;
7:1:92:9 Calorimetry in Ferroelectricity: Trends and Some New Results
DOI:10.1080/00150193.2014.895202 JN:FERROELECTRICS PY:2014 TC:0 AU: Strukov, B.;Onodera, A.;Lemanov, V.;Shnaidshtein, I.;Grabovsky, S.;Davitadze, S.;Milov, E.;
7:1:92:10 Pre-Transitional Effect and an Intermediate Phase in the Antiferroelectric PbZr0.80Sn0.20O3 Single Crystal
DOI:10.1080/00150193.2010.505482 JN:FERROELECTRICS PY:2010 TC:7 AU: Jankowska-Sumara, I.;Gorny, M.;Rusek, K.;Majchrowski, A.;Zmija, J.;Roleder, K.;
7:1:92:11 Phase Transitions in Modified Na1/2Ba1/2TiO3-SrTiO3-PbTiO3 Solid Solutions
DOI:10.1080/00150193.2011.577338 JN:FERROELECTRICS PY:2011 TC:2 AU: Dunce, M.;Birks, E.;Antonova, M.;Sternberg, A.;
7:1:92:12 Ferroelectric Phase Transitions in Small Particles and Local Regions
DOI:10.1103/PhysRevLett.111.097601 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:4 AU: Levanyuk, A. P.;Blinc, R.;
7:1:92:13 Low Frequency Raman Scattering in BaTiO3 Crystal
DOI:10.1080/00150193.2013.778658 JN:FERROELECTRICS PY:2013 TC:2 AU: Malinovsky, V. K.;Pugachev, A. M.;Popova, V. A.;Surovtsev, N. V.;Kojima, S.;
7:1:92:14 Description of Relaxor State in Na1/2Bi1/2TiO3-SrTiO3-PbTiO3 System of Solid Solutions
DOI:10.1080/10584587.2011.570603 JN:INTEGRATED FERROELECTRICS PY:2011 TC:1 AU: Dunce, M.;Birks, E.;Antonova, M.;Kundzinsh, M.;
7:1:92:15 Dynamics of Phase Transition in 0.4NBT-0.4ST-0.2PT Solid Solution
DOI:10.1080/10584587.2012.665300 JN:INTEGRATED FERROELECTRICS PY:2012 TC:1 AU: Svirskas, S.;Ivanov, M.;Bagdzevicius, S.;Dunce, M.;Antonova, M.;Birks, E.;Sternberg, A.;Brilingas, A.;Banys, J.;
7:1:93:1 Nonlinear stress-strain behavior and stress-induced phase transitions in soft Pb(Zr1-xTix)O-3 at the morphotropic phase boundary
DOI:10.1103/PhysRevB.87.094116 JN:PHYSICAL REVIEW B PY:2013 TC:5 AU: Seo, Yo-Han;Franzbach, Daniel J.;Koruza, Jurij;Bencan, Andreja;Malic, Barbara;Kosec, Marija;Jones, Jacob L.;Webber, Kyle G.;
7:1:93:2 Temperature-dependent R-curve behavior of Pb(Zr1-xTix)O-3
DOI:10.1016/j.actamat.2013.07.020 JN:ACTA MATERIALIA PY:2013 TC:2 AU: Seo, Yo-Han;Voegler, Malte;Isaia, Daniel;Aulbach, Emil;Roedel, Juergen;Webber, Kyle G.;
7:1:93:3 Compositional Dependence of R-curve Behavior in Soft Pb(Zr1-xTix)O-3 Ceramics
DOI:10.1111/j.1551-2916.2011.04889.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:7 AU: Seo, Yo-Han;Bencan, Andreja;Koruza, Jurij;Malic, Barbara;Kosec, Marija;Webber, Kyle G.;
7:1:93:4 Structure and the Electrical Properties of Pb(Zr,Ti)O-3 - Zirconia Composites
DOI:10.1111/j.1551-2916.2011.04803.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:9 AU: Bencan, Andreja;Malic, Barbara;Drnovsek, Silvo;Tellier, Jenny;Rojac, Tadej;Pavlic, Jernej;Kosec, Marija;Webber, Kyle G.;Roedel, Juergen;Damjanovic, Dragan;
7:1:93:5 Simultaneous Enhancement of Fracture Toughness and Unipolar Strain in Pb(Zr,Ti)O-3-ZrO2 Composites Through Composition Adjustment
DOI:10.1111/jace.12929 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:3 AU: Seo, Yo-Han;Koruza, Jurij;Bencan, Andreja;Malic, Barbara;Roedel, Juergen;Webber, Kyle G.;
7:1:93:6 Identification of crystalline elastic anisotropy in PZT ceramics from in-situ blocking stress measurements
DOI:10.1063/1.4874222 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:4 AU: Daniel, L.;Hall, D. A.;Webber, K. G.;King, A.;Withers, P. J.;
7:1:93:7 Evaluation of the homogeneity in Pb(Zr,Ti)O-3-zirconia composites prepared by the hetero-agglomeration of precursors using the Voronoi-diagram approach
DOI:10.1016/j.jeurceramsoc.2013.09.014 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:0 AU: Trefalt, Gregor;Bencan, Andreja;Kamplet, Mitja;Malic, Barbara;Seo, Yohan;Webber, Kyle G.;
7:1:93:8 Deconvolving Ferroelastic and Phase Transformation Toughening in Pb(Zr1-xTix)O-3 and Pb1-yLay(Zr1-xTix)O-3
DOI:10.1111/jace.12007 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:2 AU: Seo, Yo-Han;Webber, Kyle G.;Bencan, Andreja;Koruza, Jurij;Malic, Barbara;Kosec, Marija;Roedel, Juergen;
7:1:93:9 Fabrication and Characterization of Flexible PZT Fiber and Composite
DOI:10.1080/00150193.2012.732513 JN:FERROELECTRICS PY:2012 TC:2 AU: Yi, Chung-Hao;Lin, Chia-Hsin;Wang, Yi-Hui;Cheng, Syh-Yuh;Chang, Horng-Yi;
7:1:93:10 Surface-condensed piezoelectric fibers and composites
DOI:10.1016/j.matchemphys.2014.05.019 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2014 TC:0 AU: Chang, Horng-Yi;Yi, Chung-Hao;Lin, Chia-Hsin;Cheng, Syh-Yuh;
7:1:93:11 R-Curve Behavior of Pb(Mg1/3Nb2/3)O-3-29 mol% PbTiO3 Single Crystals: The Effect of Crystallographic Orientation and Grain Structure
DOI:10.1111/j.1551-2916.2011.04677.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:4 AU: Webber, Kyle G.;Seo, Yo-Han;Lee, Ho-Yong;Aulbach, Emil;Jo, Wook;Roedel, Juergen;
7:1:94:1 Phase stability and structural temperature dependence in sodium niobate: A high-resolution powder neutron diffraction study
DOI:10.1103/PhysRevB.83.134105 JN:PHYSICAL REVIEW B PY:2011 TC:21 AU: Mishra, S. K.;Mittal, R.;Pomjakushin, V. Yu.;Chaplot, S. L.;
7:1:94:2 Novel High-Temperature Antiferroelectric-Based Dielectric NaNbO3-NaTaO3 Solid Solutions Processed in Low Oxygen Partial Pressures
DOI:10.1111/jace.12065 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:11 AU: Kobayashi, Keisuke;Ryu, Minoru;Doshida, Yutaka;Mizuno, Youichi;Randall, Clive A.;
7:1:94:3 Suppression of antiferroelectric state in NaNbO3 at high pressure from in situ neutron diffraction
DOI:10.1063/1.4771983 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Mishra, S. K.;Gupta, M. K.;Mittal, R.;Chaplot, S. L.;Hansen, Thomas;
7:1:94:4 Enhancement of Piezoelectric Performance of Lead-Free NKN-Based Ceramics via a High-Performance Flux-NaF-Nb2O5
DOI:10.1111/jace.12461 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:2 AU: Liu, Cheng;Liu, Peng;Kobayashi, Keisuke;Qu, Wei-guo;Randall, Clive A.;
7:1:94:5 The effect of Li-substitution on the M-phases of AgNbO3
DOI:10.1063/1.3677871 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Khan, H. U.;Sterianou, I.;Miao, S.;Pokorny, J.;Reaney, I. M.;
7:1:94:6 Phonon dynamics and inelastic neutron scattering of sodium niobate
DOI:10.1103/PhysRevB.89.184303 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Mishra, S. K.;Gupta, M. K.;Mittal, R.;Zbiri, M.;Rols, S.;Schober, H.;Chaplot, S. L.;
7:1:94:7 A Route Forwards to Narrow the Performance Gap between PZT and Lead-Free Piezoelectric Ceramic with Low Oxygen Partial Pressure Processed (Na0.5K0.5)NbO3
DOI:10.1111/j.1551-2916.2012.05266.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:19 AU: Kobayashi, Keisuke;Doshida, Yutaka;Mizuno, Youichi;Randall, Clive A.;
7:1:94:8 Effect of particle size and strain on phase stability of (Li-0.06 Na-0.94)NbO3
DOI:10.1063/1.4875481 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:3 AU: Mishra, S. K.;Shinde, A. B.;Krishna, P. S. R.;
7:1:94:9 Relative phase stability and lattice dynamics of NaNbO3 from first-principles calculations
DOI:10.1103/PhysRevB.84.134107 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Machado, R.;Sepliarsky, M.;Stachiotti, M. G.;
7:1:94:10 Local structure of NaNbO3: A neutron scattering study
DOI:10.1103/PhysRevB.88.014105 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Jiang, Lu;Mitchell, D. C.;Dmowski, W.;Egami, T.;
7:1:94:11 Phase transitions in LixAg1-x(Nb0.5Ta0.5)O-3 solid solutions
DOI:10.1063/1.3485813 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:2 AU: Khan, H. U.;Sterianou, I.;Han, Y.;Pokorny, J.;Reaney, I. M.;
7:1:94:12 Response to "Comment on 'Effect of particle size and strain on phase stability of (Li0.06Na0.94)NbO3'" [J. Appl. Phys. 116, 206101 (2014)]
DOI:10.1063/1.4902392 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Mishra, S. K.;Shinde, A. B.;Krishna, P. S. R.;
7:1:94:13 Comment on "Effect of particle size and strain on phase stability of (Li0.06Na0.94)NbO3" [J. Appl. Phys. 115, 174104 (2014)]
DOI:10.1063/1.4902391 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Nalbandyan, V. B.;
7:1:94:14 Dielectric and Elastic Parameters of LixNa1-xTa0.1Nb0.9O3 Ferroelectric Solid Solution Ceramics
DOI:10.1080/10584587.2011.570661 JN:INTEGRATED FERROELECTRICS PY:2011 TC:1 AU: Efremov, V.;Palatnikov, M.;Sidorov, N.;Bormanis, K.;
7:1:95:1 Grain-size effects on dielectric and piezoelectric properties of poled BaTiO3 ceramics
DOI:10.1016/j.actamat.2012.06.015 JN:ACTA MATERIALIA PY:2012 TC:32 AU: Zheng, P.;Zhang, J. L.;Tan, Y. Q.;Wang, C. L.;
7:1:95:2 Domain Wall Displacement is the Origin of Superior Permittivity and Piezoelectricity in BaTiO 3 at Intermediate Grain Sizes
DOI:10.1002/adfm.201301913 JN:ADVANCED FUNCTIONAL MATERIALS PY:2014 TC:14 AU: Ghosh, Dipankar;Sakata, Akito;Carter, Jared;Thomas, Pam A.;Han, Hyuksu;Nino, Juan C.;Jones, Jacob L.;
7:1:95:3 Grain Size Effects on Piezoelectric Properties and Domain Structure of BaTiO3 Ceramics Prepared by Two-Step Sintering
DOI:10.1111/jace.12601 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:12 AU: Huan, Yu;Wang, Xiaohui;Fang, Jian;Li, Longtu;
7:1:95:4 Grain size effect on piezoelectric and ferroelectric properties of BaTiO3 ceramics
DOI:10.1016/j.jeurceramsoc.2013.11.030 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:8 AU: Huan, Yu;Wang, Xiaohui;Fang, Jian;Li, Longtu;
7:1:95:5 Effect of grain size on domain structures, dielectric and thermal depoling of Nd-substituted bismuth titanate ceramics
DOI:10.1063/1.4827537 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Viola, Giuseppe;Chong, Kok Boon;Eriksson, Mirva;Shen, Zhijian;Zeng, Jiangtao;Yin, Qingrui;Kan, Yanmei;Wang, Peiling;Ning, Huanpo;Zhang, Hongtao;Fitzpatrick, Michael E.;Reece, Michael J.;Yan, Haixue;
7:1:95:6 Strong piezoelectricity exhibited by large-grained BaTiO3 ceramics
DOI:10.1063/1.4881597 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Zhang, J. L.;Ji, P. F.;Wu, Y. Q.;Zhao, X.;Tan, Y. Q.;Wang, C. L.;
7:1:95:7 Effect of Grain Size of BaTiO3 Ceramics on Dielectric Properties
DOI:10.1080/00150191003697377 JN:FERROELECTRICS PY:2010 TC:5 AU: Ding Shihua;Song Tianxiu;Yang Xiaojing;Luo Guanghua;
7:1:95:8 Size Effect and Domain-Wall Contribution of Barium Titanate Ceramics
DOI:10.1080/00150191003697179 JN:FERROELECTRICS PY:2010 TC:4 AU: Hoshina, Takuya;Kigoshi, Yoichi;Hatta, Saki;Teranishi, Takashi;Takeda, Hiroaki;Tsurumi, Takaaki;
7:1:95:9 Mn-doped 0.15BiInO(3)-0.85PbTiO(3) piezoelectric films deposited by pulsed laser deposition
DOI:10.1063/1.4718528 JN:APPLIED PHYSICS LETTERS PY:2012 TC:5 AU: Lee, Sun Young;Ko, Song Won;Lee, Soonil;Trolier-McKinstry, Susan;
7:1:95:10 High Curie temperature BiInO3-PbTiO3 films
DOI:10.1063/1.4881797 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Lee, Sun Young;Wang, Wei;Trolier-McKinstry, Susan;
7:1:95:11 Strain Evolution of Highly Asymmetric Polycrystalline Ferroelectric Ceramics via a Self-Consistent Model and In Situ X-Ray Diffraction
DOI:10.1111/jace.12011 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:1 AU: Tutuncu, Goknur;Motahari, Maziar;Bernier, Joel;Varlioglu, Mesut;Jones, Jacob L.;Ustundag, Ersan;
7:1:96:1 Nonmonotonic variation of aging behavior in Fe-doped BaTiO3 ceramics
DOI:10.1063/1.4890383 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Huang, Fengzhen;Jiang, Zhenghao;Lu, Xiaomei;Ti, Ruixia;Wu, Huarui;Kan, Yi;Zhu, Jinsong;
7:1:96:2 Large electrostrain in poled and aged acceptor-doped ferroelectric ceramics via reversible domain switching
DOI:10.1063/1.4905359 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Zhao, Xiaobo;Liang, Ruihong;Zhang, Wenbin;Wang, Genshui;Dong, Xianlin;
7:1:96:3 Investigations on structure, ferroelectric, piezoelectric and energy storage properties of barium calcium titanate (BCT) ceramics
DOI:10.1016/j.jallcom.2013.09.108 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:8 AU: Puli, Venkata Sreenivas;Pradhan, Dhiren K.;Riggs, Brian C.;Chrisey, Douglas B.;Katiyar, Ram S.;
7:1:96:4 Kinetics controlled aging effect of ferroelectricity in Al-doped and Ga-doped BaTiO3
DOI:10.1063/1.3490700 JN:APPLIED PHYSICS LETTERS PY:2010 TC:6 AU: Guo, Y. Y.;Qin, M. H.;Wei, T.;Wang, K. F.;Liu, J. -M.;
7:1:96:5 Large digital-characterized electrostrain in Mn-doped (Pb,Sr)TiO3 electro-shape-memory ceramics
DOI:10.1063/1.3632079 JN:APPLIED PHYSICS LETTERS PY:2011 TC:8 AU: Liu, Wenfeng;Zhang, Lixue;Chen, Wei;Li, Shengtao;Ren, Xiaobing;
7:1:96:6 Mn dopant on the "domain stabilization" effect of aged BaTiO3 and PbTiO3-based piezoelectrics
DOI:10.1063/1.4770311 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Zhang, Lixue;Liu, Wenfeng;Chen, Wei;Ren, Xiaobing;Sun, Jun;Gurdal, Erkan A.;Ural, Seyit O.;Uchino, Kenji;
7:1:96:7 Large stable strain memory effect in poled Mn-doped Pb(Mn1/3Sb2/3)O-3-Pb(Zr,Ti)O-3 ceramics
DOI:10.1063/1.4803098 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Du, Gang;Liang, Ruihong;Wang, Li;Li, Kui;Zhang, Wenbin;Wang, Genshui;Dong, Xianlin;
7:1:96:8 Aging effect of Mn-doped Ba0.77Ca0.23TiO3 ceramics
DOI:10.1016/j.jallcom.2014.05.003 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:3 AU: Yue, Qingying;Luo, Laihui;Jiang, Xijie;Li, Weiping;Zhou, Jun;
7:1:96:9 Ferroelectric aging behaviors of BaTi0.995Mn0.005O3 ceramics: grain size effects
DOI:10.1007/s00339-011-6750-0 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2012 TC:4 AU: Guo, Y. Y.;Yan, Z. B.;Zhang, N.;Cheng, W. W.;Liu, J. -M.;
7:1:96:10 Improvement in shape memory in magnesium niobate modified PZST
DOI:10.1016/j.ceramint.2010.07.036 JN:CERAMICS INTERNATIONAL PY:2010 TC:5 AU: Pathak, Abhishek;Chatterjee, Ratnamala;Prakash, Chandra;
7:1:97:1 Large Electro-Optic Effect in La-Doped 0.75Pb(Mg1/3Nb2/3)O-3-0.25PbTiO(3) Transparent Ceramic by Two-Stage Sintering
DOI:10.1111/j.1551-2916.2010.03675.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:25 AU: Ruan, Wei;Li, Guorong;Zeng, Jiangtao;Bian, Jianjiang;Kamzina, Liudmila S.;Zeng, Huarong;Zheng, Liaoying;Dingy, Aili;
7:1:97:2 Domain dynamics of La-doped PMN-PT transparent ceramics studied by piezoresponse force microscope
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7:1:97:3 Origin of the giant electro-optic Kerr effect in La-doped 75PMN-25PT transparent ceramics
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7:1:97:4 Unusual piezoresponse behavior across the grain boundary of PbMg1/3Nb2/3O3-0.33PbTiO(3) thin films
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7:1:97:5 Fabrication of PMN-PZT Transparent Ceramics by Two-Stage Sintering
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7:1:97:6 Fabrication of Transparent Pb(Mg1/3Nb2/3)O-3-PbTiO3 Based Ceramics by Conventional Sintering
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7:1:97:7 Observation of an unusual optical switching effect in relaxor ferroelectrics Pb(Mg1/3Nb2/3)O-3-Pb(Zr-0.53,Ti-0.47)O-3 transparent ceramics
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7:1:97:8 The influence of domain structure on the optical and electrical properties of transparent (Pb,La)(Mg1/3Nb2/3)O-3-PbTiO3 ceramics
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7:1:97:9 The effect of domain structures on the transparency of PMN-PT Transparent Ceramics
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7:1:97:10 Anisotropic polarization response of polar nanostructures in relaxor-type lead lanthanum zirconate titanate ferroelectric ceramics
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7:1:97:11 Study of Nanoscale Domain Structure and Elastic Response of Lead-Free Piezoelectric Ceramics by Scanning Probe Microscopy
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7:1:97:12 Optical characteristics of Er3+-doped PMN-PT transparent ceramics
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7:1:97:13 Effect of La doping in transparent 0.67Pb(Mg1/3Nb2/3)O-3-0.33PbTiO(3) ceramics fabricated by conventional sintering
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7:1:97:14 The synthesis of Er3+-doped PMN-PT transparent ceramic and its infrared luminescence
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7:1:97:15 Fabrication and dielectric properties of transparent PZN-BT ceramic
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7:1:98:1 In situ synthesis of Ba0.5Sr0.5TiO3-Mg2TiO4 composite ceramics and their effective dielectric response
DOI:10.1016/j.scriptamat.2013.04.012 JN:SCRIPTA MATERIALIA PY:2013 TC:3 AU: Zhang, Jingji;Shen, Bo;Zhai, Jiwei;Yao, Xi;
7:1:98:2 Microstructure and dielectric property relationships in spherical inclusion ferroelectric composite ceramics
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7:1:98:3 Grain size effects on dielectric properties of barium strontium titanate composite ceramics
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7:1:98:4 Low temperature and microwave dielectric properties of TiO2/ZBS glass composites
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7:1:98:5 Microwave dielectric properties and low sintering temperature of Ba0.5Sr0.5TiO3-Mg2TiO4 composites synthesized in situ by the hydrothermal method
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7:1:98:6 Dielectric properties of Ba0.5Sr0.5TiO3-MgO composites synthesized by a citrate gel in situ process
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7:1:98:7 Low Loss, High Tunability of Ba0.4Sr0.6TiO3-Mg3B2O6 Microwave Composite Ceramics
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7:1:98:8 Infrared dielectric response and Raman spectra of tunable Ba0.5Sr0.5TiO3-Mg2TiO4 composite ceramics
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7:1:98:9 Percolative properties in ferroelectric-dielectric composite ceramics
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7:1:98:10 A tunable metamaterial dependent on electric field at terahertz with barium strontium titanate thin film
DOI:10.1063/1.4863669 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Bian, Yanlong;Wu, Chao;Li, Hongqiang;Zhai, Jiwei;
7:1:98:11 Percolative property and microwave dielectric characterization of Ba0.4Sr0.6TiO3-Mg2TiO4 diphasic ceramics
DOI:10.1016/j.materresbull.2011.01.011 JN:MATERIALS RESEARCH BULLETIN PY:2011 TC:4 AU: Zhang, Qiwei;Qi, Peng;Zhai, Jiwei;Fu, Fang;Yao, Xi;
7:1:98:12 Dielectric Properties of Ba0.7Sr0.3TiO3 Film at Terahertz Measured by Metamaterials
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7:1:98:13 Microwave dielectric properties of high dielectric tunable - low permittivity Ba0.5Sr0.5TiO3-Mg-2(Ti0.95Sn0.05)O-4 composite ceramics
DOI:10.1016/j.ceramint.2011.04.074 JN:CERAMICS INTERNATIONAL PY:2012 TC:3 AU: Zhang, Mingwei;Zhai, Jiwei;Yao, Xi;
7:1:99:1 Properties of lanthanum doped BaTiO3 produced from nanopowders
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7:1:99:2 Antimony doping effect on barium titanate structure and electrical properties
DOI:10.1016/j.ceramint.2011.04.015 JN:CERAMICS INTERNATIONAL PY:2011 TC:9 AU: Petrovic, M. M. Vijatovic;Bobic, J. D.;Ramoska, T.;Banys, J.;Stojanovic, B. D.;
7:1:99:3 Improvement of barium titanate properties induced by attrition milling
DOI:10.1016/j.ceramint.2012.03.041 JN:CERAMICS INTERNATIONAL PY:2012 TC:7 AU: Petrovic, M. M. Vijatovic;Bobic, J. D.;Radojkovic, A. M.;Banys, J.;Stojanovic, B. D.;
7:1:99:4 Engineering grain size and electrical properties of donor-doped barium titanate ceramics
DOI:10.1016/j.ceramint.2010.08.040 JN:CERAMICS INTERNATIONAL PY:2011 TC:14 AU: Niesz, Krisztian;Ould-Ely, Teyeb;Tsukamoto, Hisashi;Morse, Daniel E.;
7:1:99:5 Synthesis and dielectric properties of substituted barium titanate ceramics
DOI:10.1016/j.jallcom.2009.08.024 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:0 AU: Kurmar, Parveen;Singh, Sangeeta;Spah, Manjula;Juneja, J. K.;Prakash, Chandra;Raina, K. K.;
7:1:99:6 Structure study of nanosized La- and Sb-doped BaTiO3
DOI:10.1016/j.jallcom.2010.01.088 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:12 AU: Lazarevic, Z. Z.;Vijatovic, M. M.;Stojanovic, B. D.;Romcevic, M. J.;Romcevic, N. Z.;
7:1:99:7 A comparative study on positive temperature coefficient effect of BaTiO3-K0.5Bi0.5TiO3 ceramics by conventional and microwave sintering
DOI:10.1016/j.ceramint.2013.06.047 JN:CERAMICS INTERNATIONAL PY:2014 TC:4 AU: Gao, Pan;Pu, Yongping;Wu, Yurong;Li, Pin;
7:1:99:8 Electrical properties of antimony doped barium titanate ceramics
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7:1:99:9 Dielectric Characteristics of Ba1-x La (x) TiO3 Ceramics with Submicron Grain Size Prepared by Two-Step Sintering Method
DOI:10.1080/00150193.2014.876807 JN:FERROELECTRICS PY:2014 TC:0 AU: Shut, V. N.;Syrtsov, S. R.;Trublovsky, V. L.;Il'Yuschenko, D. A.;Troyanchuk, I. O.;
7:1:99:10 Structural, dielectric and ferroelectric study of microwave sintered lanthanum substituted BaTiO3 ceramics
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7:1:99:11 Low temperature synthesis and dielectric, ferroelectric and piezoelectric study of microwave sintered BaTiO3 ceramics
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7:1:99:12 Crystal structure and dielectric properties of (1-x)SrTiO3-xCa(0.4)Sm(0.4)TiO(3) ceramic system at microwave frequencies
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7:1:100:1 Low-temperature relaxor state induced by epitaxial compression in PbSc0.5Nb0.5O3 films
DOI:10.1103/PhysRevB.87.224107 JN:PHYSICAL REVIEW B PY:2013 TC:5 AU: Tyunina, M.;Levoska, J.;Janolin, P. -E.;Dejneka, A.;
7:1:100:2 Epitaxial Ferroelectric Heterostructures with Nanocolumn-Enhanced Dynamic Properties
DOI:10.1002/adfm.201201528 JN:ADVANCED FUNCTIONAL MATERIALS PY:2013 TC:5 AU: Tyunina, Marina;Yao, Lide;Plekh, Maxim;Levoska, Juhani;van Dijken, Sebastiaan;
7:1:100:3 Ferroelectric transitions in epitaxial Pb0.5Sr0.5TiO3 films studied by dielectric analysis
DOI:10.1103/PhysRevB.84.224105 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Tyunina, M.;Plekh, M.;Antonova, M.;Kalvane, A.;
7:1:100:4 Electric-field-induced transformations in epitaxial relaxor ferroelectric PbMg1/3Nb2/3O3 films
DOI:10.1103/PhysRevB.89.094106 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Tyunina, M.;Pintilie, I.;Iuga, A.;Pintilie, L.;
7:1:100:5 Optical properties of epitaxial relaxor ferroelectric PbSc0.5Nb0.5O3 films
DOI:10.1063/1.4822108 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Lynnyk, A.;Chvostova, D.;Pacherova, O.;Kocourek, T.;Jelinek, M.;Dejneka, A.;Tyunina, M.;
7:1:100:6 Low-temperature evolution of local polarization properties of PbZr0.65Ti0.35O3 thin films probed by piezoresponse force microscopy
DOI:10.1063/1.4869147 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Andreeva, N. V.;Tyunina, M.;Filimonov, A. V.;Rudskoy, A. I.;Pertsev, N. A.;Vakhrushev, S. B.;
7:1:100:7 Ferroelectric domains in epitaxial PbZr0.65Ti0.35O3/La0.5Sr0.5CoO3 heterostructures
DOI:10.1063/1.3467201 JN:APPLIED PHYSICS LETTERS PY:2010 TC:3 AU: Plekh, M.;Tyunina, M.;
7:1:100:8 Polydomain configuration in epitaxial Pb0.5Sr0.5TiO3/La0.5Sr0.5CoO3 heterostructures
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7:1:101:1 Structural Description of the Macroscopic Piezo- and Ferroelectric Properties of Lead Zirconate Titanate
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7:1:101:2 Symmetry of domains in morphotropic PbZr1-xTixO3 ceramics
DOI:10.1103/PhysRevB.84.064122 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Schierholz, Roland;Fuess, Hartmut;
7:1:101:3 Zr-shift at the origin of the exceptional piezoelectric properties of PbZr0.52Ti0.48O3
DOI:10.1103/PhysRevB.81.174110 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Al-Zein, A.;Fraysse, G.;Rouquette, J.;Papet, Ph.;Haines, J.;Hehlen, B.;Levelut, C.;Aquilanti, G.;Joly, Y.;
7:1:101:4 Local order and electronic structure of Pb1-xLaxZr0.40Ti0.60O3 materials and its relation with ferroelectric properties
DOI:10.1063/1.4720472 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:7 AU: Mesquita, A.;Michalowicz, A.;Mastelaro, V. R.;
7:1:101:5 Structural contribution to the ferroelectric fatigue in lead zirconate titanate ceramics
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7:1:101:6 Competing order parameters in the Pb(Zr1-xTix)O-3 solid solution at high pressure
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7:1:101:7 Crystallographic changes in lead zirconate titanate due to neutron irradiation
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7:1:101:8 Time-resolved x-ray diffraction study of the piezoelectric crystal response to a fast change of an applied electric field
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7:1:101:9 Crystal Structure and Compressibility of Pb(Zr1-xTix)O-3 Ceramics Under High Pressure
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7:1:101:10 Role of high-order electromechanical coupling terms in thermodynamics of ferroelectric thin films
DOI:10.1103/PhysRevB.87.184101 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Kvasov, Alexander;Tagantsev, Alexander K.;
7:1:101:11 Effect of elastic compliances and higher order Landau coefficients on the phase diagram of single domain epitaxial Pb(Zr, Ti)O-3 (PZT) thin films
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7:1:101:12 Local order of Pb1-xLaxZr0.40Ti0.60O3 ferroelectric ceramic materials probed by X-ray absorption and Raman spectroscopies
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7:1:101:13 Effect of pressure on electric generation of PZT(30/70) and PZT(52/48) ceramics near phase transition pressure
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7:1:101:14 Spontaneous long and short-range ferroelectric ordering in Pb0.55La0.30TiO3 ceramics
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7:1:102:1 Temperature-dependent ferroelastic switching of ferroelectric ceramics and evolution of linear material properties
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7:1:102:2 State dependent pyroelectric and thermal expansion coefficients in a PZT wafer
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7:1:102:3 Temperature-dependent compressive creep of ferroelectric ceramics and evolution of remnant state variables
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7:1:102:4 Domain switching and creep behavior of a poled PZT wafer under through-thickness electric fields at high temperatures
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7:1:102:5 Effects of loading rate and temperature on domain switching and evolutions of reference remnant state variables during polarization reversal in a PZT wafer
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7:1:102:6 Evolution of remnant state variables and linear material properties in ferroelectric ceramics during compressive loading and unloading
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7:1:102:7 Determination of reversible and irreversible contributions to the polarization and strain response of soft PZT using the partial unloading method
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7:1:102:8 State-dependent pyroelectric and thermal expansion coefficients in a PZT rectangular parallelepiped after compressive loading and unloading
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7:1:102:9 Evolution of linear moduli and remnant state variables during polarization reversal in a lead zirconate rectangular parallelpiped at room and high temperatures
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7:1:103:1 NIR to Visible Up-conversion Luminescence of Er3+-Doped PMN-PT Transparent Ceramics
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7:1:103:2 Mid-IR to Visible Photoluminescence, Dielectric, and Ferroelectric Properties of Er-Doped KNLN Ceramics
DOI:10.1111/jace.12791 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:3 AU: Wu, Xiao;Kwok, K. W.;
7:1:103:3 Upconversion fluorescence studies of sol-gel-derived Er-doped KNN ceramics
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7:1:103:4 Investigation of Up-Conversion Luminescence in Er3+/Yb3+-Codoped Yttria Transparent Ceramic
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7:1:103:5 Enhancement of the up-conversion luminescence of Yb3+/Er3+ or Yb3+/Tm3+ co-doped NaYF4 nanoparticles by photonic crystals
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7:1:103:6 Energy transfer and photoluminescence modification in Yb-Er-Tm triply doped Y2Ti2O7 upconversion inverse opal
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7:1:103:7 Upconversion Luminescence Properties of Er3+-Yb3+-Codoped Titania-Zirconia Composites
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7:1:103:8 Effects of Li+ on structure and spectroscopic properties of Er3+/Li+ codoped Sb2O3-Na2O-SiO2 glasses
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7:1:103:9 Infrared to visible upconversion luminescence in Er3+/Yb3+ co-doped CeO2 inverse opal
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7:1:103:10 Local Heating from Silver Nanoparticles and Its Effect on the Er3+Upconversion in Oxyfluoride Glasses
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7:1:103:11 Broadband infrared fluorescence in Er3+-doped BaO-SiO2 glasses
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7:1:104:1 Space-charge relaxation and electrical conduction in K0.5Na0.5NbO3 at high temperatures
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7:1:104:2 Diffusion phase transition and ferroelectric properties of 0.92K(0.5)Na(0.5)NbO(3)-(0.08-x)Bi0.5Li0.5TiO3-xBaZrO(3) ceramics
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7:1:104:3 Frequency and temperature dependent dielectric and conductivity behavior of 0.95(K0.5Na0.5)NbO3-0.05BaTiO(3) ceramic
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7:1:104:4 Dielectric properties and electrical conduction of La2O3-doped (Bi0.5Na0.5)(0.94)Ba0.06TiO3 ceramics
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7:1:104:5 Dielectric properties and high-temperature dielectric relaxation of Ba3Ti4Nb4O21 ceramic
DOI:10.1016/j.matchemphys.2013.09.031 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2014 TC:0 AU: Fang, Liang;Xiang, Fei;Liao, Wei;Liu, Laijun;Zhang, Hui;Kuang, Xiaojun;
7:1:104:6 Dielectric Properties and Defect Chemistry of WO3-Doped K0.5Na0.5NbO3 Ceramics
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7:1:104:7 Orthorhombic to tetragonal structural phase transition in Na0.5K0.5NbO3-based ceramics
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7:1:104:8 High thermal stability of piezoelectric properties in (Na0.5Bi0.5TiO3)(x)-(BaTiO3)(y)-(Na0.5K0.5NbO3)(1-x-y) ceramics
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7:1:104:9 Comment on "Orthorhombic to tetragonal structural phase transition in Na0.5K0.5NbO3-based ceramics" by Laijun Liu et al.
DOI:10.1016/j.matlet.2014.08.031 JN:MATERIALS LETTERS PY:2014 TC:0 AU: Tomaszewski, Pawel E.;
7:1:105:1 Adsorption of water on the KNTN (001) surface: A density functional theory study
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7:1:105:2 Structure and electronic properties of lead-free KTa1-xNbxO3: Accurate Wu-Cohen and screened-exchange study
DOI:10.1016/j.commatsci.2012.07.019 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2012 TC:5 AU: Shen, Yanqing;Zhou, Zhongxiang;
7:1:105:3 The optical properties of lead-free KTa1/2Nb1/2O3:M where M = Li, Na, H, Cu, Zn
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7:1:105:4 First-principles calculations of electronic and optical properties of lead-free KTa1-xNbxO3 under high pressure
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7:1:105:5 First-principles study of CO2 adsorption on KNTN (001) surfaces
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7:1:105:6 Properties of KNTN [100] surfaces: A first-principles study
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7:1:105:7 Effect of oxygen atmosphere on the structure and refractive index dispersive behavior of KTa0.5Nb0.5O3 thin films prepared by PLD on Si(0 0 1) substrates
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7:1:105:8 Structure and refractive index dispersive behavior of potassium niobate tantalate films prepared by pulsed laser deposition
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7:1:105:9 Sensitivity Properties of Acoustic Emission Sensor Using Lead-free (Na,K,Li)(Nb,Ta,Zn)O-3 System Ceramics
DOI:10.1080/10584587.2012.741500 JN:INTEGRATED FERROELECTRICS PY:2012 TC:1 AU: Jeong, Yeongho;Byeon, Sunmin;Park, Minho;Yoo, Juhyun;
7:1:105:10 The effect of B-site cations on the properties of KTaxNb1-xO3 [1 0 0] surface: A study of density functional theory
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7:1:105:11 Adsorption of water on NaNO3(001) surface from first-principles calculations
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7:1:105:12 Temperature influence on the voltage-controlled diffractive property of Mn-doped potassium sodium tantalate niobate crystal
DOI:10.1016/j.optmat.2013.06.050 JN:OPTICAL MATERIALS PY:2013 TC:6 AU: Tian, Hao;Jia, Jieshu;Cui, Xuan;Yao, Bo;Zhou, Zhongxiang;Chen, Deying;
7:1:106:1 Energy harvesting in core-shell ferroelectric ceramics: Theoretical approach and practical conclusions
DOI:10.1063/1.4789804 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Anoufa, M.;Kiat, J. M.;Kornev, I.;Bogicevic, C.;
7:1:106:2 Interface Investigation in Nanostructured BaTiO3/Silica Composite Ceramics
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7:1:106:3 Structural investigation of strontium titanate nanoparticles and the core-shell model
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7:1:106:4 Vortices of polarization in BaTiO3 core-shell nanoceramics: Calculations based on ab initio derived Hamiltonian versus Landau theory
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7:1:106:5 Nanocrystalline oxide (Y2O3, Dy2O3, ZrO2, NiO) coatings on BaTiO3 submicron particles by precipitation
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7:1:106:6 Linking hopping conductivity to giant dielectric permittivity in oxides
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7:1:106:7 Low-symmetry phases and loss of relaxation in nanosized lead scandium niobate
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7:1:106:8 Axial hypertoroidal moment in a ferroelectric nanotorus: A way to switch local polarization
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7:1:106:9 The possibility of giant dielectric materials for multilayer ceramic capacitors
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7:1:106:10 Evidence of diffusion at BaTiO3/silicon interfaces
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7:1:106:11 Size Effects on Dielectric Properties of Nanograin PSN Ceramics
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7:1:106:12 Low temperature dielectric relaxation and charged defects in ferroelectric thin films
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7:1:107:1 High temperature stress-induced "double loop-like" phase transitions in Bi-based perovskites
DOI:10.1063/1.3428373 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:25 AU: Webber, K. G.;Zhang, Y.;Jo, Wook;Daniels, J. E.;Roedel, J.;
7:1:107:2 Critical mechanical and electrical transition behavior of BaTiO3: The observation of mechanical double loop behavior
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7:1:107:3 Influence of uniaxial stress on the ferroelectric-to-paraelectric phase change in barium titanate
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7:1:107:4 Electric-field-induced paraelectric to ferroelectric phase transformation in prototypical polycrystalline BaTiO3
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7:1:107:5 Mechanical double loop behavior in BaTiO3: Stress induced paraelastic to ferroelastic phase transformation
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7:1:107:6 Landau expansion parameters for BaTiO3
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7:1:108:1 Vanadium doping effects on microstructure and dielectric properties of barium titanate ceramics
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7:1:108:2 Effect of Samarium on the Microstructure, Dielectric and Ferroelectric Properties of Barium Titanate Ceramics
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7:1:108:3 Ferroelectric, electrical, and structural properties of Dy and Sc co-doped BaTiO3
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7:1:108:4 Electrical investigations of holmium-doped BaTiO3 derived from sol-gel combustion
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7:1:108:5 Coexistence of A- and B-Site Vacancy Compensation in La-Doped Sr1-xBaxTiO3
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7:1:108:6 Reoxidation Effects of Ba-Excessive Barium Titanate Ceramics for Laminated Positive Temperature Coefficient Thermistors
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7:1:108:7 Influence of Bias on the Friction Imaging of Ferroelectric Domains in Single Crystal Barium Titanate Energy Storage Materials
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7:1:108:8 Structure and Electric Properties of Sm Doped BaTiO3 Ceramics
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7:1:108:9 Polarization- Induced Photoluminescence Quenching in ( Ba0.7Ca0.3TiO3)( BaZr0.2Ti0.8O3): Pr Ceramics
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7:1:108:10 Influence of thermal history on relaxation process in barium titanate ceramics
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7:1:108:11 Structural characterization and photoluminescence of nanocrystalline Ho-doped BaTiO3 derived from sol-gel method
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7:1:108:12 Piezoelectric properties of environmental friendly bismuth doped barium titanate ceramics
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7:1:108:13 Coexistence of A- and B-site vacancy compensation in La-doped Sr1-xBaxTiO3 (vol 93, pg 2903, 2010)
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7:1:109:1 Room temperature ferromagnetism and magnetoelectric coupling in (K0.5Na0.5)NbO3 PLD nanocrystalline films
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7:1:109:2 Multiferroic behavior and electrical conduction of BiFeO3 thin film deposited on quartz substrate
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7:1:109:3 Room-temperature ferromagnetism and ferroelectricity of nanocrystalline La2Ti2O7
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7:1:109:4 Room-temperature magnetoelectric coupling in nanocrystalline Na0.5Bi0.5TiO3
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7:1:109:5 Effect of excess Bi on structure and ferroelectric properties of polycrystalline BiFeO3 thin films
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7:1:109:6 Magnetoelectric coupling in nanocrystalline Pb0.82La0.18TiO3
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7:1:109:7 The investigation of room temperature ferromagnetism in (1 0 0) oriented BaNb2O6 PLD films on LaAlO3 (1 0 0) substrate
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7:1:109:8 Ferroelectric Properties of BiFeO3 Thin Films Prepared via a Simple Chemical Solution Deposition
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7:1:110:1 Synthesis of (K, Na) (Nb, Ta)O-3 lead-free piezoelectric ceramic powders by high temperature mixing method under hydrothermal conditions
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7:1:110:2 Simple hydrothermal synthesis and sintering of Na0.5Bi0.5TiO3 nanowires
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7:1:110:3 Randomly organized and self-assembled Na0.5Bi0.5TiO3 nanodots elaborated by sol-gel and pulsed laser deposition routes
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7:1:110:4 (K,Na)NbO3 lead-free piezoelectric ceramics synthesized from hydrothermal powders
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7:1:110:5 (K, Na) NbO3 based piezoceramics prepared by a two-step calcining and ball milling route
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7:1:110:6 Synthesis of Na0.5Bi0.5TiO3 powders through hydrothermal method
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7:1:110:7 Hydrothermal Synthesis of Nanosized Na0.5Bi0.5TiO3
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7:1:110:8 Size-Controlled Hydrothermal Synthesis of Bismuth Sodium and Bismuth Potassium Titanates Fine Particles and Application to Lead-Free Piezoelectric Ceramics
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7:1:110:9 Hydrothermal synthesis of bismuth sodium titanate particles with different morphologies
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7:1:110:10 Hydrothermal Synthesis of Sodium and Potassium Niobates Fine Particles and Their Application to Lead-Free Piezoelectric Material
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7:1:111:1 Dielectric properties of Ba(Ti1-xSnx)O-3 ceramics in the paraelectric phase
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7:1:111:2 Study of Physical Properties of Ba(Ti1-2xFexNbx)O-3 Ceramics
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7:1:111:3 Influence of Sr and Zr Substitution on Dielectric Properties of (Ba1-xSrx)(Ti1-xZrx)O-3
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7:1:111:4 Electrical Properties of (Ba1-xNax)(Ti1-xNbx)O-3 Ceramics
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7:1:111:5 The Electrical Properties of Ba1-ySryZrxTi1-xO3 Solid Solution
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7:1:111:6 Effect of Zr4+ Doping on the Electrical Properties of BaTiO3 Ceramics
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7:1:111:7 Ultrasonication as a Method of Investigation of the Mechanical Properties of Doped Hafnium Barium Titanate
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7:1:111:8 Characterization of Dielectric Anomaly in Solid Solution Based on BaTiO3
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7:1:111:9 Impedance and Modulus Spectroscopy of a Novel Ferroelectric Ceramics Based on Barium Titanate
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7:1:111:10 Dielectric properties and phase transition of-samarium-doped BaSn0.1Ti0.9O3 ceramics
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7:1:111:11 Dielectric properties of calcium doped BaTi0.85Sn0.15O3: A diffuse phase transition
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7:1:111:12 Influence of Sr-Substitution on Diffuseness of (Ba1-xSrx)TiO3 Phase Transitions
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7:1:111:13 Influence of Sn-Substitution on the Phase Transitions Character in Polycrystalline (Ba0.90Sr0.10)(Ti1-ySny)O-3
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7:1:111:14 Influence of Zr-substitution on phase transitions character in polycrystalline Ba(Ti1-xZrx)O-3
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7:1:111:15 Study of the Phase Transition in Polycrystalline Ba(Ti0.90Sn0.10)O-3
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7:1:111:16 Effect of Variable Valence Ion Doping on the Dielectric Properties of BaTiO3-Based Materials
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7:1:111:17 Comparison of the Influences of a Perpendicular and Parallel Uniaxial Stress on the Dielectric and Ferroelectric Properties of Fe Doped BaTiO3 Ceramics
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7:1:111:18 Elastic Properties of Barium Zirconate Titanate Ceramics
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7:1:112:1 Phase transitions and domain evolution in (Pb, La)(Zr, Sn, Ti)O-3 single crystal
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7:1:112:2 Growth and characterization of Pb0.97La0.02(Zr0.66Sn0.27Ti0.07)O-3 antiferroelectric single crystals
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7:1:112:3 Electric field induced metastable ferroelectric phase and its behavior in (Pb, La)(Zr, Sn, Ti)O-3 antiferroelectric single crystal near morphotropic phase boundary
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7:1:112:4 Fully inverted single-digit nanometer domains in ferroelectric films
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7:1:112:5 Ultrahigh Currents in Dielectric-Coated Carbon Nanotube Probes
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7:1:112:6 Growth and characterization of (Pb, La)(Zr, Sn, Ti)O-3 single crystals
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7:1:112:7 Web-like domain structure formation in barium titanate single crystals
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7:1:112:8 Poling field versus piezoelectric property for [001](c) oriented 91%Pb(Zn1/3Nb2/3)O-3-9%PbTiO3 single crystals
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7:1:112:9 Dielectric and elastic properties of 0.70Pb(Mg1/3Nb2/3)O-3-0.30PbTiO(3) single crystal and their electric-field dependence
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7:1:112:10 High-pressure vertical Bridgman growth of lead magnesium niobate-lead titanate single crystal
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7:1:112:11 Contributions of domain wall motion to complex electromechanical coefficients of 0.62Pb(Mg1/3Nb2/3)O-3-0.38PbTiO(3) crystals
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7:1:113:1 High density nanostructured BaTiO3 ceramics obtained under extreme conditions
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7:1:113:2 Ferroic investigations in LuFe2O4 multiferroic ceramics
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7:1:113:3 Variable-range-hopping conduction and dielectric relaxation in Pr0.6Sr0.4Mn0.6Ti0.4O3 +/- (delta) perovskite
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7:1:113:4 Application of spark plasma sintering to processing of dense Ba(Ti1-xSnx)O-3 (x=0.13) ceramic
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7:1:113:5 The dielectric and electric properties of (Ba0.68-xSr0.311Bi0.006Mgx)(Ti0.99Sn0.01)O-3 ceramics
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7:1:113:6 Processing and luminescence properties of Ce:Y3Al5O12 and Eu:Y3Al5O12 ceramics for white-light applications
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7:1:113:7 Dielectric Ba(Ti1-x Sn (x) )O-3 (x=0.13) ceramics, sintered by spark plasma and conventional methods
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7:1:113:8 Dielectric investigations in unconventionally processed TbMnO3 ceramics
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7:1:113:9 Ferroelectric, piezoelectric and electrostrictive properties of Ba(Ti1-xSnx)O-3 ceramics obtained from nanocrystalline powder
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7:1:113:10 Magnetic states and valence fluctuations in charge frustrated polycrystalline lutetium ferrite samples
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7:1:113:11 Structural and impedance spectroscopy properties of Pr0.6Sr0.4Mn1-xTixO3 +/-delta perovskites
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7:1:113:12 Microstructure of Ba1-xLaxTiO3-delta ceramics sintered by Spark Plasma Sintering
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7:1:114:1 Phase Transformation Behavior and Electrical Properties of Pb(Zr0.56Ti0.44)O3-Bi(Zn0.5Ti0.5)O3 Solid Solution Ceramics
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7:1:114:2 Normal-Relaxor-Diffuse Ferroelectric Phase Transition and Electrical Properties of Bi(Mg1/2Ti1/2)3-PbZrO3-PbTiO3 Solid Solution Ceramics Near the Morphotropic Phase Boundary
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7:1:114:3 The morphotropic phase boundary in the (1-x)PbZrO(3)x[0.3Bi(Zn1/2Ti1/2)O-3-0.7PbTiO(3)] perovskite solid solution
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7:1:114:4 Bi(Zn0.5Ti0.5)O3 Substitution Effects in Pb(Zr,Ti)O3 Piezoelectric Ceramics Around Morphotropic Phase Boundary Region
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7:1:114:5 Electrical properties and x-ray photoelectron spectroscopy studies of Bi(Zn0.5Ti0.5)O-3 doped Pb(Zr0.4Ti0.6)O-3 thin films
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7:1:114:6 Structural and electrical characterizations of Bi(Zn0.5Ti0.5)O-3 doped lead zirconate titanate ferroelectric films with enhanced ferroelectric properties
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7:1:114:7 Piezoelectric Properties of Pb0.85Bi0.15(Zr0.442Ti0.483Zn0.075)O-3 Ceramics
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7:1:114:8 Morphotropic phase boundary in high temperature ferroelectric xBi(Zn1/2Ti1/2)O-3-yPbZrO(3)-zPbTiO(3) perovskite ternary solid solution
DOI:10.1016/j.matlet.2011.01.070 JN:MATERIALS LETTERS PY:2011 TC:4 AU: Dwivedi, Akansha;Randall, Clive A.;
7:1:114:9 A Phenomenological Approach to Phase Transition Temperatures of Pb(Zr,Ti)O-3-BiFeO3 System
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7:1:114:10 Effect of Bi(B)O-3 perovskite substitution on enhanced tetragonality and ferroelectric transition temperature in Pb(Zr,Ti)O-3 ceramics
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7:1:114:11 Dielectric and structural characterization of high-temperature ferroelectric xBi(Zn1/2Ti1/2)O-3-yPbZrO(3)-zPbTiO(3) perovskite ternary solid solution
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7:1:114:12 Phase Transition and Dielectric Properties of PNNZT-BNLT Ceramics
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7:1:115:1 Grain Size Effects on the Ferroelectric and Piezoelectric Properties of Na0.5K0.5NbO3 Ceramics Prepared by Pechini Method
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7:1:115:2 Influence of A-site non-stoichiometry on structure and electrical properties of K0.5Na0.5NbO3-based lead-free piezoelectric ceramics
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7:1:115:3 Synthesis and properties of high aspect ratio SrBi4Ti4O15 microplatelets
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7:1:115:4 Improved ferroelectric and pyroelectric properties of Pb-doped SrBi4Ti4O15 ceramics for high temperature applications
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7:1:115:5 0.94(K0.5Na0.5)NbO3-0.06LiNbO(3) piezoelectric ceramics prepared from the solid state reaction modified with polyvinylpyrrolidone (PVP) of different molecular weights
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7:1:115:6 Effects of Ultrasonic Irradiation on the Structural and Electrical Properties of Lead-Free 0.94(K0.5Na0.5)NbO3-0.06LiNbO(3) Ceramics
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7:1:115:7 Studies of Ferroelectric and Dielectric Properties of Samarium Doped Barium Titanate Sintered in Pure Nitrogen
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7:1:115:8 Effect of Simultaneous Substitution of Sm and Pr Ions on Dielectric and Ferroelectric Properties of Strontium Bismuth Titanate
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7:1:115:9 PVP-Mediated Crystallization of Perovskite Phase in the PMN-PT Thin Films Prepared by Sol-Gel Processing
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7:1:115:10 Thermal properties of Er:Li2TiGeO5 fenoelastic ceramics
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7:1:115:11 Crystallization of Pb((Zn,Mg)(1/3)Nb-2/3)O-3-PbTiO3 Thin Films Via Immobilization of Pb2+Ions During Sol-Gel Process
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7:1:116:1 Dielectric investigations in nanostructured tetragonal BaTiO3 ceramics
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7:1:116:2 A Phenomenological Model on Phase Transitions in Nanocrystalline Barium Titanate Ceramic
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7:1:116:3 Dielectric Response of BaTiO3 Thin Film with Grain Size at Nanometer Scale
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7:1:116:4 Effects of oxygen vacancies and grain sizes on the dielectric response of BaTiO3
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7:1:116:5 Origin of the dielectric response in Ba0.767Ca0.233TiO3
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7:1:116:6 Investigation of orthorhombic-to-tetragonal structural phase transition in (Ba1-xCax)(Zr0.05Ti0.95)O-3 ferroelectric ceramics using micro-Raman scattering
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7:1:116:7 Effect of mechanical stress on phase stability and polarization states in ferroelectric barium titanate and lead titanate
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7:1:116:8 Dependence of the conductivity of polycrystalline Li0.33BaxLa0.56-2/3xTiO3 on Ba loading
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7:1:116:9 Influence of film thickness and deposition rate on surface quality of polyparylene coatings
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7:1:116:10 Broadband spectroscopy of the complex conductivity of polycrystalline yttria-stabilized zirconia
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7:1:116:11 Lithium ion conductivity of Nd-doped (Li, La)TiO3 ceramics
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7:1:116:12 Dielectric strength of voidless BaTiO3 films with nano-scale grains fabricated by aerosol deposition
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7:1:116:13 Evaporation and thermal cracking of dimeric parylenes
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7:1:117:1 Hydrothermal synthesis of BaTiO3 from different Ti-precursors and microstructural and electrical properties of sintered samples with submicrometric grain size
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7:1:117:2 Microwave-hydrothermal synthesis of barium strontium titanate nanoparticles
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7:1:117:3 Influence of reactant type on the Sr incorporation grade and structural characteristics of Ba1-xSrxTiO3 (x=0-1) grown by sol-gel-hydrothermal synthesis
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7:1:117:4 Dielectric properties of Barium Strontium Titanate (BST) ceramics synthesized by using mixed-phase powders calcined at varied temperatures
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7:1:117:5 Chemical and structural analysis related to defects in nanocrystalline Ba1-xSrxTiO3 grown via hydrothermal sol-gel
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7:1:117:6 Investigation on the dielectric properties of (Ba, Sr)TiO3 thin films on hybrid electrodes
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7:1:117:7 Low-Temperature Sintering of Ba0.5Sr0.5TiO3-SrMoO4 Dielectric Tunable Composite Ceramics for LTCC Applications
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7:1:117:8 Compositionally inhomogeneous Ti-excess barium strontium titanate ceramics with a robust dielectric temperature stability
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7:1:117:9 Large-scale synthesis of nanocrystals of barium titanate and other titanates through solution-phase processes
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7:1:117:10 Sintering and dielectric properties of BaTiO3 prepared by a composite-hydroxide-mediated approach
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7:1:117:11 X-ray diffraction and surface acoustic wave analysis of BST/Pt/TiO2/SiO2/Si thin films
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7:1:117:12 Microwave Property of Low-Temperature-Sintered Ba1-xSrxTiO3 Ceramics with B-Li Glass Sintering Aid
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7:1:118:1 Fast synthesis of NaNbO3 and K0.5Na0.5NbO3 by microwave hydrothermal method
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7:1:118:2 Hydrothermal synthesis of NaNbO3 with low NaOH concentration
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7:1:118:3 Hydrothermal synthesis and electrical properties of NaNbO3
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7:1:118:4 Properties of NaNbO3 powders and ceramics prepared by hydrothermal reaction
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7:1:118:5 Solid-state reaction synthesis of sodium niobate (NaNbO3) powder at low temperature
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7:1:118:6 Large-scale fabrication of H-2(H2O)Nb2O6 and Nb2O5 hollow microspheres
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7:1:118:7 Facile Synthesis of Lead-Free Piezoelectric Sodium Niobate (NaNbO3) Powders via the Solution Combustion Method
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7:1:118:8 Synthesis of lamellar niobic acid nanorods via proton-exchange and their conversion to T-Nb2O5 nanorods
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7:1:118:9 Polymorphology of sodium niobate based on two different bidentate organics
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7:1:118:10 Flower-like nanostructure MNb2O6 (M = Mn, Zn) with high surface area: Hydrothermal synthesis and enhanced photocatalytic performance
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7:1:118:11 Two-step Synthesis of Platelike Potassium Sodium Niobate Template Particles by Hydrothermal Method
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7:1:118:12 Low-temperature synthesis of ZnNb2O6 powders via hydrothermal method
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7:1:118:13 Microwave Hydrothermal Synthesis and Piezoelectric Properties Investigation of K0.5Na0.5NbO3 Lead-Free Ceramics
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7:1:119:1 Temperature and driving field dependence of fatigue processes in PZT bulk ceramics
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7:1:119:2 Fatigue and failure responses of lead zirconate titanate multilayer actuator under unipolar high-field electric cycling
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7:1:119:3 Bipolar and unipolar electrical fatigue in ferroelectric lead zirconate titanate thin films: An experimental comparison study
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7:1:119:4 Fatigue responses of lead zirconate titanate stacks under semibipolar electric cycling with mechanical preload
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7:1:119:5 Residual stress relief due to fatigue in tetragonal lead zirconate titanate ceramics
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7:1:119:6 Fatigue of extracted lead zirconate titanate multilayer actuators under unipolar high field electric cycling
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7:1:119:7 Piezoelectric and dielectric performance of poled lead zirconate titanate subjected to electric cyclic fatigue
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7:1:119:8 Effect of polarization fatigue on the Rayleigh coefficients of ferroelectric lead zirconate titanate thin films: Experimental evidence and implications
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7:1:120:1 Composition dependence of dispersion and bandgap properties in PZN-xPT single crystals
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7:1:120:2 Structural, dielectric and optical properties of sol-gel synthesized 0.55Ba(Zr0.2Ti0.8)O-3-0.45(Ba0.7Ca0.3)TiO3 ceramic
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7:1:120:3 Optical dispersion and interband transition in Na0.5Bi0.5TiO3-x%BaTiO3 lead-free relaxor ferroelectric single crystals
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7:1:120:4 Photoluminescence and electrical properties of Eu-doped (Na0.5Bi0.5)TiO3 ferroelectric single crystals
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7:1:120:5 Complex impedance studies of low temperature synthesized fine grain PZT/CeO2 nanocomposites
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7:1:120:6 Temperature-dependent Urbach tail measurements of lutetium aluminum garnet single crystals
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7:1:120:7 Nanotwin domains in high-strain ferroelectric 89.5%Pb(Zn1/3Nb2/3)O-3-10.5%PbTiO3 single crystal
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7:1:120:8 Effects of capping HfO2 with multivalent oxides toward reducing the number of charged defects
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7:1:120:9 Comparative characterization of rhombohedral and tetragonal PZN-PT single crystals
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7:1:120:10 Complex Impedance Study of Fine and Coarse Grain TiO2 Ceramics
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7:1:121:1 Optical near-field absorption at a metal tip far from plasmonic resonance
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7:1:121:2 Numerical study of femtosecond laser-assisted atom probe tomography
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7:1:121:3 Three-dimensional thermal response of a metal subwavelength tip under femtosecond laser illumination
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7:1:121:4 Laser-assisted field evaporation from insulators triggered by photoinduced hole accumulation
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7:1:121:5 Evidence of lateral heat transfer during laser assisted atom probe tomography analysis of large band gap materials
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7:1:121:6 Antenna effect in laser assisted atom probe tomography: How the field emitter aspect ratio can enhance atomic scale imaging
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7:1:121:7 Polarization dependence of the optical absorption of a subwavelength tip
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7:1:121:8 Field evaporation mechanism of bulk oxides under ultra fast laser illumination
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7:1:121:9 Surface carrier recombination of a silicon tip under high electric field
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7:1:121:10 Energy deficit of pulsed-laser field-ionized and field-emitted ions from non-metallic nano-tips
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7:1:121:11 In-situ observation of non-hemispherical tip shape formation during laser-assisted atom probe tomography
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7:1:121:12 Impact of the apex of an elongated dielectric tip upon its light absorption properties
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7:1:122:1 Properties of the BaTiO3 coating prepared by supersonic plasma spraying
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7:1:122:2 Boundary faceting-dependent densification in a BaTiO3 model system
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7:1:122:3 Structure and properties of plasma sprayed BaTiO3 coatings: Spray parameters versus structure and photocatalytic activity
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7:1:122:4 Effect of post annealing on structural, optical and dielectric properties of MgTiO3 thin films deposited by RF magnetron sputtering
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7:1:122:5 Structure and properties of plasma sprayed BaTiO3 coatings
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7:1:122:6 Improving dielectric properties of plasma sprayed calcium titanate (CaTiO3) coatings by thermal annealing
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7:1:122:7 Chemical solution deposition of multiferroic La0.7Sr0.3MnO3, BaTiO3 thin films prepared by ink plotting
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7:1:122:8 Structural and magnetic characterization of LaSrMnO3 thin films deposited by laser ablation on MgO substrates
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7:1:122:9 Phase stabilization in plasma sprayed BaTiO3
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7:1:122:10 Electromechanical properties of Ba(Zr0.2Ti0.8)O-3 ceramics prepared by spark plasma sintering
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7:1:123:1 Effect of the Reoxidation on Positive Temperature Coefficient Behavior of BaTiO3-Bi0.5Na0.5TiO3
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7:1:123:2 Fabrication of high Tc BaTiO3-Bi0.5Na0.5TiO3 positive temperature coefficient of resistivity ceramics using the sol-gel method
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7:1:123:3 Effect of sintering procedure on the resistivity of (1-x)BaTiO3-x(Bi0.5Na0.5) TiO3 ceramics
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7:1:123:4 Influences of Ba/Ti Ratios on the Positive Temperature Coefficient of Resistivity Effect of Y-Doped BaTiO3-(Bi1/2Na1/2)TiO3 Ceramics
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7:1:123:5 Effect of the Nb2O5 content on electrical properties of lead-free BaTiO3-Bi0.5Na0.5TiO3 ceramics
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7:1:123:6 Rising Tc in Bi and Cu co-doped BaTiO3
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7:1:123:7 Effects of different bismuth-based compounds additives on the positive temperature coefficient effect of BaTiO3 ceramics
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7:1:123:8 Study of electrical and dielectric properties of Y2O3 doped Ba1-x(Bi0.5Na0.5)(x)TiO3 ceramics
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7:1:123:9 (Ba1+xTiO3)-(Bi0.5Na0.5TiO3) Lead-Free, Positive Temperature Coefficient of Resistivity Ceramics: PTC Behavior and Atomic Level Microstructures
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7:1:123:10 Anomalous Increase in the Resistivity of n-Doped BaTiO3-Based Ceramics with Pressure Observed at Room Temperature
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7:1:123:11 Particle sizes effects on electrical properties and densification of laminated Ba1.002La0.003TiO3 ceramics
DOI:10.1016/j.ceramint.2012.08.098 JN:CERAMICS INTERNATIONAL PY:2013 TC:0 AU: Zhou, Dongdang;Zhao, Dongchen;Fu, Qiuyun;Hu, Yunxiang;Jian, Gang;Cheng, Xuxin;Shen, Xiaoting;
7:1:123:12 Dielectric properties of Y2O3 donor-doped Ba0.8Sr0.2TiO3 ceramics
DOI:10.1016/j.matchemphys.2013.09.053 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2014 TC:0 AU: Cao, Wan Q.;Chen, Wei;
7:1:124:1 The extrinsic origins of high permittivity and its temperature and frequency dependence in Y0.5Ca0.5MnO3 and La1.5Sr0.5NiO4 ceramics
DOI:10.1063/1.3692607 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:16 AU: Li, Ming;Sinclair, Derek C.;
7:1:124:2 Hole conduction and electro-mechanical properties of Na0.5Bi2.5Ta2O9-based piezoelectric ceramics with the Li+/Ce3+/Sc3+ modification
DOI:10.1063/1.4893643 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Long, Changbai;Fan, Huiqing;Wu, Yun;Li, Yinghong;
7:1:124:3 Antiferroelectric-like properties and enhanced polarization of Cu-doped K0.5Na0.5NbO3 piezoelectric ceramics
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7:1:124:4 A ferroelectric polarization contribution from defect dipoles in acceptor Aurivillius oxide, (Na,Bi)(0.47)(Li,Ce)(0.03)Bi2Ta1.97Sc0.03O8.97
DOI:10.1063/1.4829267 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Long, Changbai;Fan, Huiqing;Li, Mengmeng;
7:1:124:5 Humidity sensitive properties of amorphous (K,Na)NbO3 lead free thin films
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7:1:124:6 Spark plasma sintering of Li/Ta-modified (K,Na)NbO3 lead-free piezoelectric ceramics: Post-annealing temperature effect on phase structure, electrical properties and grain growth behavior
DOI:10.1016/j.mseb.2011.05.051 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2011 TC:11 AU: Zhen, Yuhua;Li, Jing-Feng;Wang, Ke;Yan, Youguo;Yu, Lianqing;
7:1:124:7 Frequency and temperature dependence of dielectric and electrical properties of radio-frequency sputtered lead-free K0.48Na0.52NbO3 thin films
DOI:10.1016/j.tsf.2010.02.078 JN:THIN SOLID FILMS PY:2010 TC:10 AU: Kim, Jin Soo;Lee, Hai Joon;Lee, Sun Young;Kim, Ill Won;Lee, Su Dae;
7:1:124:8 Ceramic thick film humidity sensor based on MgTiO3 + LiF
DOI:10.1016/j.materresbull.2013.06.010 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:1 AU: Kassas, Ahmad;Bernard, Jerome;Lelievre, Celine;Besq, Anthony;Guhel, Yannick;Houivet, David;Boudart, Bertrand;Lakiss, Hassan;Hamieh, Tayssir;
7:1:125:1 The dielectric relaxation behavior of (Na0.82K0.18)(0.5)Bi0.5TiO3 ferroelectric thin film
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7:1:125:2 Nanoscale study by piezoresponse force microscopy of relaxor 0.7Pb(Mg1/3Nb2/3)O-3-0.3PbTiO(3) and 0.9Pb(Mg1/3Nb2/3)O-3-0.1PbTiO(3) thin films grown on platinum and LaNiO3 electrodes
DOI:10.1016/j.tsf.2009.12.056 JN:THIN SOLID FILMS PY:2010 TC:11 AU: Detalle, M.;Ferri, A.;Da Costa, A.;Desfeux, R.;Soyer, C.;Remiens, D.;
7:1:125:3 Effect of potassium content on electrostrictive properties of Na0.5Bi0.5TiO3-based relaxor ferroelectric thin films with morphotropic phase boundary
DOI:10.1016/j.tsf.2013.09.017 JN:THIN SOLID FILMS PY:2013 TC:6 AU: Zheng, X. J.;Liu, J. Y.;Peng, J. F.;Liu, X.;Gong, Y. Q.;Zhou, K. S.;Huang, D. H.;
7:1:125:4 Effects of Annealing Temperature on the Electric Properties of 0.94(Na0.5Bi0.5)TiO3-0.06BaTiO(3) Ferroelectric Thin Film
DOI:10.1007/s11664-013-2912-5 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2014 TC:0 AU: Peng, J. F.;Zheng, X. J.;Gong, Y. Q.;Zhan, K.;Dai, Z. H.;
7:1:125:5 Structural and electrical properties of (Na0.85K0.15)(0.5)Bi0.5TiO3 thin films deposited on LaNiO3 and Pt bottom electrodes
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7:1:125:6 Spark-plasma-sintering temperature dependence of structural and piezoelectric properties of BNT-BT0.08 nanostructured ceramics
DOI:10.1007/s10853-011-6215-z JN:JOURNAL OF MATERIALS SCIENCE PY:2012 TC:3 AU: Cernea, Marin;Fochi, Fabio;Aldica, Gheorghe Virgil;Vasile, Bogdan Stefan;Trusca, Roxana;Galassi, Carmen;
7:1:125:7 Size effect of mechanical behavior for lead-free (Na0.82K0.18)(0.5)Bi0.5TiO3 nanofibers by nanoindentation
DOI:10.1016/j.msea.2010.05.066 JN:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES PY:2010 TC:2 AU: Chen, Y. Q.;Zheng, X. J.;Li, W.;
7:1:125:8 KTa0.65Nb0.35O3 thin films epitaxially grown by pulsed laser deposition on metallic and oxide epitaxial electrodes
DOI:10.1016/j.apsusc.2011.08.049 JN:APPLIED SURFACE SCIENCE PY:2012 TC:2 AU: Bouyasfi, A.;Mouttalie, M.;Demange, V.;Gautier, B.;Grandfond, A.;Deputier, S.;Ollivier, S.;Hamedi, L' H.;Guilloux-Viry, M.;
7:1:125:9 Characterizing nanoscale electromechanical fatigue in Pb(Mg1/3Nb2/3)O-3-PbTiO3 thin films by piezoresponse force microscopy
DOI:10.1016/j.tsf.2011.07.032 JN:THIN SOLID FILMS PY:2011 TC:3 AU: Gatoux, A.;Ferri, A.;Detalle, M.;Remiens, D.;Desfeux, R.;
7:1:126:1 Structure of Ferroelectric Silver Niobate AgNbO3
DOI:10.1021/cm103389q JN:CHEMISTRY OF MATERIALS PY:2011 TC:26 AU: Yashima, Masatomo;Matsuyama, Shota;Sano, Rikiya;Itoh, Mitsuru;Tsuda, Kenji;Fu, Desheng;
7:1:126:2 Unique dielectric tunability of Ag(Nb1-xTax)O-3 (x=0-0.5) ceramics with ferrielectric polar order
DOI:10.1063/1.4875581 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Li, Lei;Spreitzer, Matjaz;Suvorov, Danilo;
7:1:126:3 Ferroelectricity and electromechanical coupling in (1-x)AgNbO3-xNaNbO(3) solid solutions
DOI:10.1063/1.3609234 JN:APPLIED PHYSICS LETTERS PY:2011 TC:5 AU: Fu, Desheng;Arioka, Takahiro;Taniguchi, Hiroki;Taniyama, Tomoyasu;Itoh, Mitsuru;
7:1:126:4 Low-Temperature Phase Transition in AgNbO3
DOI:10.1111/jace.12857 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:2 AU: Zhang, Tingsong;Zhang, Chenyang;Wang, Ling;Chai, Yisheng;Shen, Shipeng;Sun, Young;Yuan, Hongming;Feng, Shouhua;
7:1:126:5 Enhanced Grain Growth in Lead-Free (1-x)(Na0.5Bi0.5)TiO3-xAgNbO(3) Solid Solution Ceramics
DOI:10.1080/00150193.2014.893163 JN:FERROELECTRICS PY:2014 TC:0 AU: Wong, J. Y. Y.;Promsawat, M.;Ren, Z.;Lei, C.;Ye, Z-G;
7:1:126:6 Silver deficiency and excess effects on quality, dielectric properties and phase transitions of AgNbO3 ceramics
DOI:10.1016/j.jeurceramsoc.2014.01.016 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:3 AU: Kania, A.;Niewiadomski, A.;Miga, S.;Jankowska-Sumara, I.;Pawlik, M.;Ujma, Z.;Koperski, J.;Suchanicz, J.;
7:1:126:7 Hydrothermal Syntheses and Structural Phase Transitions of AgNbO3
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7:1:126:8 Topotactic soft chemical synthesis and photocatalytic performance of one-dimensional AgNbO3 nanostructures
DOI:10.1016/j.matlet.2014.08.150 JN:MATERIALS LETTERS PY:2014 TC:2 AU: Cao, Liyun;Guo, Zhanglin;Huang, Jianfeng;Li, Cuiyan;Fei, Jie;Feng, Qi;Wen, Puhong;Sun, Youquan;Kong, Xingang;
7:1:126:9 Ferroelectric and antiferroelectric properties of AgNbO3 films fabricated on (001), (110), and (111)SrTiO3 substrates by pulsed laser deposition
DOI:10.1063/1.3467137 JN:APPLIED PHYSICS LETTERS PY:2010 TC:3 AU: Sakurai, Hiroyuki;Yamazoe, Seiji;Wada, Takahiro;
7:1:126:10 Anisotropic Dielectric Properties of AgNbO3 Single Crystals
DOI:10.1080/00150193.2010.482485 JN:FERROELECTRICS PY:2010 TC:1 AU: Kania, A.;
7:1:126:11 Li-7 NMR study of milling effects on instability of lithium-sites in lithium substituted silver niobate
DOI:10.1016/j.ssi.2013.11.026 JN:SOLID STATE IONICS PY:2014 TC:0 AU: Nakamura, Koichi;Michihiro, Yoshitaka;Moriyoshi, Chikako;Kuroiwa, Yoshihiro;Wada, Satoshi;
7:1:126:12 Mechanism and improvement of the visible light photocatalysis of organic pollutants over microcrystalline AgNbO3 prepared by a sol-gel method
DOI:10.1016/j.materresbull.2013.01.011 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:4 AU: Wu, Weiming;Liang, Shijing;Chen, Yan;Shen, Lijuan;Yuan, Rusheng;Wu, Ling;
7:1:127:1 Microstructural features and electrical properties of copper oxide added potassium sodium niobate ceramics
DOI:10.1016/j.ceramint.2010.03.018 JN:CERAMICS INTERNATIONAL PY:2010 TC:29 AU: Alkoy, Ebru Mensur;Papila, Melih;
7:1:127:2 Field-induced recoverable strain behavior of CuO-added K0.5Na0.5NbO3 ceramics and 1-3 fiber/epoxy piezocomposites
DOI:10.1063/1.3503845 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:7 AU: Alkoy, Ebru Mensur;
7:1:127:3 Sodium niobate particles with controlled morphology synthesized by hydrothermal method and their use as templates in KNN fibers
DOI:10.1016/j.apt.2014.07.012 JN:ADVANCED POWDER TECHNOLOGY PY:2014 TC:0 AU: Ozeren, Yagiz;Mensur-Alkoy, Ebru;Alkoy, Sedat;
7:1:127:4 Processing and Properties of Textured Potassium Strontium Niobate (KSr2Nb5O15) Ceramic Fibers - Texture Development
DOI:10.1111/j.1551-2916.2011.04994.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:9 AU: Alkoy, Sedat;Dursun, Sinan;
7:1:127:5 Hydrothermal synthesis of submicron NaNbO3 powders
DOI:10.1016/j.ceramint.2010.11.011 JN:CERAMICS INTERNATIONAL PY:2011 TC:8 AU: Song, Huawei;Ma, Wenhui;
7:1:127:6 Processing and Properties of Textured Potassium Sodium Niobate [K,Na]NbO3 Ceramic Ribbons by Alginate Gelation Method
DOI:10.1111/jace.13139 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:1 AU: Mensur-Alkoy, Ebru;Berksoy-Yavuz, Ayse;Alkoy, Sedat;
7:1:127:7 Macro and Microstructural Engineering of Piezoelectric Ceramics
DOI:10.1080/00150193.2013.842070 JN:FERROELECTRICS PY:2013 TC:0 AU: Alkoy, Sedat;Mensur-Alkoy, Ebru;Berksoy-Yavuz, Ayse;Dursun, Sinan;Olukkent, Recep;Ozeren, Yagiz;
7:1:127:8 Examination of selectivity of templates for the textured potassium sodium niobate ceramics
DOI:10.1016/j.apt.2010.06.002 JN:ADVANCED POWDER TECHNOLOGY PY:2011 TC:2 AU: Choi, Si-Young;Jeon, Jae-Ho;
7:1:127:9 Electrical Properties of 1-3 Piezocomposites with Potassium Sodium Niobate Fibers
DOI:10.1080/00150193.2011.594755 JN:FERROELECTRICS PY:2011 TC:1 AU: Alkoy, Ebru Mensur;Tekdas, A. Serkan;Berksoy, Ayse;
7:1:128:1 Improving ferroelectric and piezoelectric properties of PbFe1/4Sc1/4Nb1/2O3 ceramics by oxide doping prepared via a B-site oxide mixing route
DOI:10.1016/j.ceramint.2012.08.010 JN:CERAMICS INTERNATIONAL PY:2013 TC:1 AU: Fang, Bijun;Zhu, Meijuan;Ding, Jianning;Shan, Yuejin;Imoto, Hideo;
7:1:128:2 Structural and electrical properties of 0.57PSN-0.43PT ceramics prepared by mechanochemical synthesis and sintered at low temperature
DOI:10.1016/j.jeurceramsoc.2011.08.033 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:8 AU: Ursic, Hana;Tellier, Jenny;Holc, Janez;Drnovsek, Silvo;Kosec, Marija;
7:1:128:3 Enhancing pyroelectric property of Pb(Fe1/4Sc1/4Nb1/2)O-3 ceramics
DOI:10.1016/j.jallcom.2014.01.104 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:1 AU: Liu, Chunlin;Qian, Kun;Lu, Fengxia;Chen, Zhihui;Fang, Bijun;Ding, Jianning;Shan, Yuejin;Imoto, Hideo;
7:1:128:4 Synthesis of Pb(Mg1/3Nb2/3)O-3 by Self-Assembled Colloidal Aggregates
DOI:10.1111/j.1551-2916.2011.04443.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:7 AU: Trefalt, Gregor;Malic, Barbara;Kuscer, Danjela;Holc, Janez;Kosec, Marija;
7:1:128:5 Influence of the substrate on the phase composition and electrical properties of 0.65PMN-0.35PT thick films
DOI:10.1016/j.jeurceramsoc.2010.04.010 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:16 AU: Ursic, H.;Hrovat, M.;Holc, J.;Tellier, J.;Drnovsek, S.;Guiblin, N.;Dkhil, B.;Kosec, M.;
7:1:128:6 Influence of the sintering conditions on the properties of 0.57PSN-0.43PT ceramics prepared from mechanochemically activated powder
DOI:10.1016/j.jeurceramsoc.2012.09.031 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:4 AU: Ursic, Hana;Holc, Janez;Kosec, Marija;
7:1:128:7 The influence of thermal stresses on the phase composition of 0.65Pb (Mg1/3Nb2/3)O-3-0.35PbTiO(3) thick films
DOI:10.1063/1.3526971 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Ursic, Hana;Zarnik, Marina Santo;Tellier, Jenny;Hrovat, Marko;Holc, Janez;Kosec, Marija;
7:1:128:8 0.65Pb(Mg1/3Nb2/3)O-3-0.35PbTiO(3) thick films prepared by electrophoretic deposition from an ethanol-based suspension
DOI:10.1016/j.jeurceramsoc.2009.11.002 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:7 AU: Kuscer, Danjela;Kosec, Marija;
7:1:128:9 Broadband dielectric spectroscopy of PbMg1/3Nb2/3O3-PbSc1/2Nb1/2O3 ceramics
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7:1:128:10 Synthesis and characterization of (Na0.85K0.15)(0.5)Bi0.5TiO3 ceramics by different methods
DOI:10.1016/j.materresbull.2011.02.014 JN:MATERIALS RESEARCH BULLETIN PY:2011 TC:4 AU: Li, Wei;Xu, Zhijun;Chu, Ruiqing;Fu, Peng;Zhang, Yanjie;
7:1:128:11 Linear thermal expansion coefficients of relaxor-ferroelectric 0.57Pb(Sci(1/2)Nb(1/2))O-3-0.43PbTiO(3) ceramics in a wide temperature range
DOI:10.1016/j.jeurceramsoc.2013.03.023 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:2 AU: Ursic, H.;Malic, B.;Cilensek, J.;Rojac, T.;Kmet, B.;Kosec, M.;
7:1:128:12 Electrophoretic deposition of Pb(Ni1/3Nb2/3)O-3-Pb(Zr,Ti)O-3 thick film on Pt wire
DOI:10.1016/j.ceramint.2011.04.093 JN:CERAMICS INTERNATIONAL PY:2012 TC:0 AU: Lu, Jianping;Li, Guorong;Bian, Jianjiang;Zeng, Jiangtao;Zeng, Huarong;
7:1:128:13 Structural, Optical and Improved Electrical Properties of Relaxor-Based Single Crystals After Poling
DOI:10.1111/j.1551-2916.2012.05106.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:5 AU: Fang, Bijun;Qian, Kun;Miao, Fenfen;Yuan, Ningyi;Ding, Jianning;Zhao, Xiangyong;Xu, Haiqing;Luo, Haosu;
7:1:128:14 Dielectric relaxation and conductivity in the PbCo0.5Ta0.5O3 ceramics
DOI:10.1016/j.ssi.2013.02.015 JN:SOLID STATE IONICS PY:2013 TC:0 AU: Simenas, M.;Sobiestianskas, R.;Bormanis, K.;Banys, J.;Ramoska, T.;
7:1:129:1 Microstructures, dielectric and ferroelectric properties of BaHfxTi1-xO3 ceramics
DOI:10.1016/j.jallcom.2012.07.064 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:3 AU: Chen, Jian;Fu, Chunlin;Cai, Wei;Chen, Gang;Ran, Shaonian;
7:1:129:2 Microstructures and Dielectric Properties of BaHf0.1Ti0.9O3 Ceramics Prepared Using Conventional and Microwave Sintering Methods
DOI:10.1080/00150193.2014.932195 JN:FERROELECTRICS PY:2014 TC:0 AU: Fu, Chunlin;Ran, Shaonian;Cai, Wei;Chen, Gang;Deng, Xiaoling;
7:1:129:3 Room-temperature magnetoelectric coupling in single-phase BaTiO3-BiFeO3 system
DOI:10.1063/1.4799591 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:15 AU: Yang, Su-Chul;Kumar, Ashok;Petkov, Valeri;Priya, Shashank;
7:1:129:4 Epitaxial growth and electrical measurement of single crystalline Pb(Zr0.52Ti0.48)O-3 thin film on Si(001) for micro-electromechanical systems
DOI:10.1016/j.tsf.2011.11.073 JN:THIN SOLID FILMS PY:2012 TC:11 AU: Yin, S.;Niu, G.;Vilquin, B.;Gautier, B.;Le Rhun, G.;Defay, E.;Robach, Y.;
7:1:129:5 Effect of Ba(Cu1/3Nb2/3)O-3 content on rnultiferroic properties in BiFeO3 ceramics
DOI:10.1016/j.mseb.2012.02.016 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2012 TC:4 AU: Baek, Chang-Woo;Oh, Nam-Keun;Han, Guifang;Yoon, Woon-Ha;Kim, Jong-Woo;Choi, Jong-Jin;Han, Byung-Dong;Park, Dong-Soo;Sung, Kil-Dong;Jung, Jong-Hoon;Jeong, Dae-Yong;Kim, Jeong-Joo;Ryu, Jungho;
7:1:129:6 Enhanced microwave dielectric properties of Ba0.40Sr0.60TiO3-Zr0.80Sn0.20TiO4 composite ceramics
DOI:10.1007/s10853-011-6086-3 JN:JOURNAL OF MATERIALS SCIENCE PY:2012 TC:2 AU: Jiang, Haitao;Zhai, Jiwei;Zhang, Mingwei;Yao, Xi;
7:1:129:7 Capacitance Enhancement of Doped Barium Titanate Dielectrics and Multilayer Ceramic Capacitors by a Post-Sintering Thermo-Mechanical Treatment
DOI:10.1111/j.1551-2916.2012.05196.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:5 AU: Guillon, Olivier;Chang, Jaemyung;Schaab, Silke;Kang, Suk-Joong L.;
7:1:129:8 Enhancement of Multiferroic Properties in BiFeO3-Ba(Cu1/3Nb2/3)O-3: Film Fabricated by Aerosol Deposition
DOI:10.1111/j.1551-2916.2010.04315.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:5 AU: Ryu, Jungho;Baek, Chang-Woo;Lee, Yong-Seok;Oh, Nam-Keun;Han, Guifang;Kim, Jong-Woo;Hahn, Byung-Dong;Choi, Jong-Jin;Yoon, Woon-Ha;Choi, Joon-Hwan;Park, Dong-Soo;Jeong, Dae-Yong;
7:1:130:1 Dielectric Properties and Structures of Zn-doped Barium Zirconate Titanate Films
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7:1:130:2 Phase transformation and dielectric properties in Ba1-xLaxZr0.1Ti0.9O3 ceramics
DOI:10.1016/j.jallcom.2014.01.015 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:6 AU: Huang, Xia;Zhang, Jingji;Ji, Ludong;Qi, Hongfang;Wang, Jiangying;
7:1:130:3 High, purely electrostrictive effect in cubic K0.95Na0.05Ta1-xNbxO3 lead-free single crystals
DOI:10.1016/j.matlet.2011.10.021 JN:MATERIALS LETTERS PY:2012 TC:15 AU: Tian, Hao;Hu, Chengpeng;Chen, Qizhen;Zhou, Zhongxiang;
7:1:130:4 Enhancement in electro-strain behavior by La3+ substitution in lead free BaZr0.05Ti0.95O3 ceramics
DOI:10.1016/j.matlet.2013.01.057 JN:MATERIALS LETTERS PY:2013 TC:9 AU: Mahajan, Sandeep;Haridas, Divya;Sreenivas, K.;Thakur, O. P.;Prakash, Chandra;
7:1:130:5 Structure and dielectric properties of barium titanate thin films for capacitor applications
DOI:10.1016/j.ceramint.2012.10.118 JN:CERAMICS INTERNATIONAL PY:2013 TC:6 AU: He, Fan;Ren, Wei;Liang, Guanghua;Shi, Peng;Wu, Xiaoqing;Chen, Xiaofeng;
7:1:130:6 Multiferroic epitaxial Mn-doped BaTiO3 thin films
DOI:10.1016/j.tsf.2011.12.046 JN:THIN SOLID FILMS PY:2012 TC:3 AU: Son, Jong Yeog;Shin, Yun-Sok;
7:1:130:7 Structure, dielectric and electrical properties of cerium doped barium zirconium titanate ceramics
DOI:10.1016/j.jallcom.2011.08.015 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:8 AU: Feng, Hongjun;Hou, Jungang;Qu, Yuanfang;Shan, Dan;Yao, Guohua;
7:1:130:8 Complex impedance and modulus studies of cerium doped barium zirconium titanate solid solution
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7:1:130:9 Effect of substrate temperature on the properties of TiO2 nanoceramic films
DOI:10.1016/j.ceramint.2011.11.014 JN:CERAMICS INTERNATIONAL PY:2012 TC:2 AU: Lin, Su-Shia;
7:1:130:10 DC field effect on dielectric property of Ba(ZrxTi1-x)O-3 ceramics
DOI:10.1016/j.ceramint.2012.10.026 JN:CERAMICS INTERNATIONAL PY:2013 TC:3 AU: Shen, Bo;Zhang, Qiwei;Zhai, Jiwei;Xu, Zhengkui;
7:1:130:11 Synthesis and properties of multiferroic 0.7BiFeO(3)-0.3BaTiO(3) thin films by Mn doping
DOI:10.1016/j.ceramint.2012.10.112 JN:CERAMICS INTERNATIONAL PY:2013 TC:3 AU: Ito, Yuya;Sakamoto, Wataru;Moriya, Makoto;Yogo, Toshinobu;
7:1:130:12 Fabrication of BaTiO3 Thin Films and Microdot Patterns by Halide-Free Nonaqueous Solution Route
DOI:10.1111/j.1551-2916.2009.03383.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:1 AU: Wagata, Hajime;Taniguchi, Takaaki;Gallage, Ruwan;Subramani, A. K.;Sakamoto, Naonori;Watanabe, Tomoaki;Yoshimura, Masahiro;Matsushita, Nobuhiro;
7:1:131:1 Morphotropic phase boundary and electrical properties in (1-x)Bi0.5Na0.5TiO3-xBi(Zn0.5Ti0.5)O-3 lead-free piezoceramics
DOI:10.1063/1.3431387 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:24 AU: Zhang, Shan-Tao;Yan, Feng;Yang, Bin;
7:1:131:2 Morphotropic phase boundary and electric properties in (1-x)Bi(0.5)Na(0.5)TiO(3-)xBiCoO(3) lead-free piezoelectric ceramics
DOI:10.1063/1.4730770 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:7 AU: Guo, Fei-Fei;Yang, Bin;Zhang, Shan-Tao;Liu, Xiao;Zheng, Li-Mei;Wang, Zhu;Wu, Feng-Min;Wang, Da-Li;Cao, Wen-Wu;
7:1:131:3 A new Bi0.5Na0.5TiO3 based lead-free piezoelectric system with calculated end-member Bi(Zn0.5Hf0.5)O-3
DOI:10.1063/1.4868583 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Liu, Feng;Wahyudi, Olivia;Li, Yongxiang;
7:1:131:4 Temperature-dependent electrical properties of B-site zinc substituted bismuth sodium titanate piezoceramics
DOI:10.1016/j.ceramint.2011.12.029 JN:CERAMICS INTERNATIONAL PY:2012 TC:4 AU: Zhang, Hao;Fu, Shao-Jie;Long, Wei-Jie;Guo, Dong-Jie;
7:1:131:5 Absence of tetragonal distortion in (1-x)SrTiO3-xBi(Zn1/2Ti1/2)O-3 solid solution
DOI:10.1063/1.4804934 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Pandey, Rishikesh;Pillutla, Ravi Kiran;Shankar, Uma;Singh, Akhilesh Kumar;
7:1:131:6 Preparation and Electric Properties of Bi0.5Na0.5TiO3-Bi(Al0.5Ga0.5)O-3 Lead-Free Piezoceramics
DOI:10.1111/jace.12588 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:2 AU: Wang, Qi;Chen, Jun;Fan, Longlong;Song, Huidong;Gao, Wei;Rong, Yangchun;Liu, Laijun;Fang, Liang;Xing, Xianran;
7:1:131:7 Preparation and Electric Properties of Bi0.5Na0.5TiO3-Bi(Mg0.5Ti0.5)O-3 Lead-Free Piezoceramics
DOI:10.1111/jace.12147 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:10 AU: Wang, Qi;Chen, Jun;Fan, Longlong;Liu, Laijun;Fang, Liang;Xing, Xianran;
7:1:131:8 Synthesis and Dielectric Characterization of a New Relaxor Solid Solution of (1-x)Pb(Mg1/3Nb2/3)O3-xBi(Zn1/2Ti1/2)O3
DOI:10.1080/00150193.2010.482894 JN:FERROELECTRICS PY:2010 TC:4 AU: Tailor, H. N.;Bokov, A. A.;Ye, Z. -G.;
7:1:131:9 Fabrication, Phase and Microstructural Studies on Chemically Modified La-doped Bismuth Sodium Titanate Ceramics
DOI:10.1080/00150193.2013.843348 JN:FERROELECTRICS PY:2013 TC:0 AU: Eaksuwanchai, P.;Jiansirisomboon, S.;Watcharapasorn, A.;
7:1:132:1 Optical constants of MOCVD-grown Aurivillius phases in the Bi4Ti3O12-Na0.5Bi0.5TiO3 system measured by spectroscopic ellipsometry
DOI:10.1007/s00339-011-6581-z JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2011 TC:1 AU: Bin Anooz, S.;Schwarzkopf, J.;Petrik, P.;Schmidbauer, M.;Duk, A.;Agocs, E.;Fornari, R.;
7:1:132:2 First-principles study on the electronic and optical properties of Na0.5Bi0.5TiO3 lead-free piezoelectric crystal
DOI:10.1063/1.3309407 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:19 AU: Zeng, Min;Or, Siu Wing;Chan, Helen Lai Wa;
7:1:132:3 Effects of hydrostatic pressure on Pb(Zr1-xTix)O-3 near the morphotropic phase boundary
DOI:10.1063/1.3520659 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:3 AU: Wu, Chaoye;Duan, Wenhui;Zhang, Xiao-Wen;Liu, Zhirong;
7:1:132:4 The electronic properties and lattice dynamics of (Na0.5Bi0.5)TiO3: From cubic to tetragonal and rhombohedral phases
DOI:10.1063/1.4869733 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Lu, Hongfeng;Wang, Shanying;Wang, Xiaosu;
7:1:132:5 Synthesis of the superlattice complex oxide Sr5Bi4Ti8O27 and its band gap behavior
DOI:10.1063/1.4722942 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Zurbuchen, M. A.;Podraza, N. J.;Schubert, J.;Jia, Y.;Schlom, D. G.;
7:1:132:6 Lead-free potassium bismuth titanate thin film with complex Aurivillius layer structure
DOI:10.1063/1.3374709 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:9 AU: Cheng, Z. X.;Wang, X. L.;Zhao, H. Y.;Kimura, H.;
7:1:132:7 From normal ferroelectric transition to relaxor behavior in Aurivillius ferroelectric ceramics
DOI:10.1007/s10853-014-8448-0 JN:JOURNAL OF MATERIALS SCIENCE PY:2014 TC:2 AU: Gonzalez-Abreu, Y.;Pelaiz-Barranco, A.;Guerra, J. D. S.;Gagou, Y.;Saint-Gregoire, P.;
7:1:132:8 Synthesis, structure, and electrical behavior of Sr4Bi4Ti7O24
DOI:10.1063/1.3273388 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:5 AU: Zurbuchen, M. A.;Sherman, V. O.;Tagantsev, A. K.;Schubert, J.;Hawley, M. E.;Fong, D. D.;Streiffer, S. K.;Jia, Y.;Tian, W.;Schlom, D. G.;
7:1:132:9 Spectroscopic ellipsometry studies on the optical constants of Bi4Ti3O12:xNa thin films grown by metal-organic chemical vapor deposition
DOI:10.1016/j.tsf.2010.12.242 JN:THIN SOLID FILMS PY:2011 TC:1 AU: Bin Anooz, S.;Schwarzkopf, J.;Dirsyte, R.;Agocs, E.;Petrik, P.;Kwasniewski, A.;Wagner, G.;Fornari, R.;
7:1:132:10 Dielectric Relaxation Mechanisms in Relaxor Bi-Layered Perovskites
DOI:10.1080/00150193.2012.671637 JN:FERROELECTRICS PY:2012 TC:2 AU: Pelaiz-Barranco, A.;Gonzalez-Abreu, Y.;
7:1:132:11 Improved Electrical Properties of Cr-Doped K0.5Bi4.5Ti4O15 Thin Films Fabricated by Chemical Solution Deposition
DOI:10.1080/10584587.2011.616421 JN:INTEGRATED FERROELECTRICS PY:2011 TC:0 AU: Do, D.;Kim, S. S.;Bhalla, A. S.;
7:1:133:1 Pyroelectric energy harvesting using Olsen cycles in purified and porous poly(vinylidene fluoride-trifluoroethylene) [P(VDF-TrFE)] thin films
DOI:10.1088/0964-1726/20/2/025012 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:35 AU: Navid, Ashcon;Pilon, Laurent;
7:1:133:2 The pyroelectric energy harvesting capabilities of PMN-PT near the morphotropic phase boundary
DOI:10.1088/0964-1726/20/5/055020 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:36 AU: Kandilian, Razmig;Navid, Ashcon;Pilon, Laurent;
7:1:133:3 An analysis of lead-free (Bi0.5Na0.5)(0.915)-(Bi0.5K0.5)(0.05)Ba0.02Sr0.015TiO3 ceramic for efficient refrigeration and thermal energy harvesting
DOI:10.1063/1.4861031 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:9 AU: Vats, Gaurav;Vaish, Rahul;Bowen, Chris R.;
7:1:133:4 Energy harvesting by nonlinear capacitance variation for a relaxor ferroelectric poly(vinylidene fluoride-trifluoroethylene-chlorofluoroethylene) terpolymer
DOI:10.1063/1.3595325 JN:APPLIED PHYSICS LETTERS PY:2011 TC:12 AU: Zhu, H.;Pruvost, S.;Cottinet, P. J.;Guyomar, D.;
7:1:133:5 Thermal-to-electric energy conversion using ferroelectric film capacitors
DOI:10.1063/1.4900722 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Kozyrev, A. B.;Platonov, R. A.;Soldatenkov, O. I.;
7:1:133:6 Purified and porous poly(vinylidene fluoride-trifluoroethylene) thin films for pyroelectric infrared sensing and energy harvesting
DOI:10.1088/0964-1726/19/5/055006 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:34 AU: Navid, A.;Lynch, C. S.;Pilon, L.;
7:1:133:7 Phase transitions and thermal expansion in pyroelectric energy conversion
DOI:10.1063/1.4776668 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: McKinley, Ian M.;Pilon, Laurent;
7:1:133:8 A novel thermally biased mechanical energy conversion cycle
DOI:10.1063/1.4846735 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: McKinley, Ian M.;Goljahi, Sam;Lynch, Christopher S.;Pilon, Laurent;
7:1:134:1 Structure and Piezoelectric Properties of Fe-Doped Potassium Sodium Niobate Tantalate Lead-Free Ceramics
DOI:10.1111/j.1551-2916.2011.04390.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:16 AU: Yang, Wenlong;Zhou, Zhongxiang;Yang, Bin;Zhang, Rui;Wang, Zhu;Chen, Hengzhi;Jiang, Yongyuan;
7:1:134:2 Influence of MnO2 Doping on the Dielectric and Piezoelectric Properties and the Domain Structure in (K0.5Na0.5)NbO3 Single Crystals
DOI:10.1111/j.1551-2916.2009.03501.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:23 AU: Lin, Dabin;Li, Zhenrong;Zhang, Shujun;Xu, Zhuo;Yao, Xi;
7:1:134:3 The Effects of Ta Substitution and K/Na Ratio Variation on the Microstructure and Properties of (K,Na)NbO3-Based Lead Free Piezoelectric Ceramics
DOI:10.1007/s11664-014-3082-9 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2014 TC:0 AU: Shang, Xunzhong;Guo, Jinming;Xiao, Wanping;Lu, Yinmei;Chang, Gang;Zhou, Taosheng;He, Yunbin;
7:1:134:4 Structure, microstructure, and piezoelectric properties of ytterbium-doped potassium sodium niobate lead-free ceramics
DOI:10.1007/s13391-013-3015-4 JN:ELECTRONIC MATERIALS LETTERS PY:2013 TC:4 AU: Li, Huan;Yang, Wenlong;Zhou, Zhongxiang;Tian, Hao;
7:1:134:5 Electric aging behavior of lead-free Li-0.06(K0.48Na0.52)(0.94)(Nb0.86Ta0.08Sb0.06)O-3 piezoelectric ceramics improved by pre-calcined method
DOI:10.1016/j.ceramint.2011.04.114 JN:CERAMICS INTERNATIONAL PY:2012 TC:2 AU: Cheng, Chien-Min;Kuan, Min-Chang;Chen, Kai-Huang;Tsai, Jen-Hwan;
7:1:134:6 Investigation of the Structure and Electrical Properties of (KxNa0.96-xLi0.04)(Nb0.96-yTaySb0.04)O3 Piezoelectric Ceramics Modified with Manganese
DOI:10.1111/jace.12019 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:1 AU: Mgbemere, Henry E.;Hinterstein, Manuel;Schneider, Gerold A.;
7:1:134:7 Diffusion of iron in lithium niobate: a secondary ion mass spectrometry study
DOI:10.1007/s00339-011-6559-x JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2011 TC:3 AU: Ciampolillo, M. V.;Argiolas, N.;Zaltron, A.;Bazzan, M.;Sada, C.;
7:1:134:8 Lithium niobate crystals doped with iron by thermal diffusion: Relation between lattice deformation and reduction degree
DOI:10.1063/1.3342599 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Ciampolillo, M. V.;Zaltron, A.;Bazzan, M.;Argiolas, N.;Sada, C.;Bianconi, M.;
7:1:134:9 Iron doping of lithium niobate by thermal diffusion from thin film: study of the treatment effect
DOI:10.1007/s00339-011-6258-7 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2011 TC:5 AU: Ciampolillo, Maria Vittoria;Zaltron, Annamaria;Bazzan, Marco;Argiolas, Nicola;Sada, Cinzia;Mignoni, Sabrina;Fontana, Marc;
7:1:134:10 Effects of Sintering Temperature on Structure and Properties of 0.997(KNN-LS-BF)-0.003V(2)O(5) Lead-Free Piezoelectric Ceramics
DOI:10.1007/s11664-012-2346-5 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2013 TC:1 AU: Wang, Hua;Zhai, Xia;Xu, Jiwen;Yuan, Changlai;Zhou, Changrong;Liu, Xinyu;
7:1:135:1 Effect of annealing processes on the structural and electrical properties of the lead-free thin films of (Ba0.9Ca0.1)(Ti0.9Zr0.1)O-3
DOI:10.1016/j.jallcom.2013.02.054 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:4 AU: Shi, Min;Zhong, Jiagang;Zuo, Ruzhong;Xu, Yudong;Wang, Lei;Su, Hailin;Gu, Cang;
7:1:135:2 Impedance and electric modulus analysis of Sm-modified Pb(Zr0.55Ti0.45)(1-x/4)O-3 ceramics
DOI:10.1016/j.jallcom.2011.03.003 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:27 AU: Ranjan, Rajiv;Kumar, Rajiv;Kumar, Nawnit;Behera, Banarji;Choudhary, R. N. P.;
7:1:135:3 Effects of lanthanum doping on the preferred orientation, phase structure and electrical properties of sol-gel derived Pb1-3x/2Lax (Zr0.6Ti0.4)O-3 thin films
DOI:10.1016/j.jallcom.2010.11.177 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:8 AU: Zhang, S. Q.;Wang, L. D.;Li, W. L.;Li, N.;Fei, W. D.;
7:1:135:4 Effect of LaNiO3 Buffer Layer on Ferroelectric Properties of Ba(Zr,Ti)O-3 Thin Films
DOI:10.1080/10584587.2012.741498 JN:INTEGRATED FERROELECTRICS PY:2012 TC:0 AU: Li, Wei;Zhou, Qigang;Hao, Jigong;Bai, Wangfeng;Zhai, Jiwei;
7:1:135:5 Microstructure and electrical properties of Ba0.7Sr0.3(Ti1-xZrx)O-3 thin films prepared on copper foils with sol-gel method
DOI:10.1016/j.tsf.2009.09.051 JN:THIN SOLID FILMS PY:2010 TC:4 AU: Fan, Yanhua;Yu, Shuhui;Sun, Rong;Li, Lei;Yin, Yansheng;Du, Ruxu;
7:1:135:6 Growth and characterization of (Pb,La)(Zr,Ti)O-3 thin film epilayers on SrTiO3-buffered Si(001)
DOI:10.1016/j.tsf.2010.04.023 JN:THIN SOLID FILMS PY:2010 TC:2 AU: Nordseth, Ornulf;You, Chang Chuan;Folven, Erik;Gariglio, Stefano;Sambri, Alessia;Triscone, Jean-Marc;Reiner, James W.;Ahn, Charles H.;Tybell, Thomas;Grepstad, Jostein K.;
7:1:136:1 High dielectric tunability in lead niobate pyrochlore films
DOI:10.1063/1.3687722 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Mirsaneh, M.;Hayden, B. E.;Furman, E.;Perini, S.;Lanagan, M. T.;Reaney, I. M.;
7:1:136:2 Growth of epitaxial sodium-bismuth-titanate films by metal-organic chemical vapor phase deposition
DOI:10.1016/j.tsf.2011.07.050 JN:THIN SOLID FILMS PY:2011 TC:6 AU: Schwarzkopf, J.;Schmidbauer, M.;Duk, A.;Kwasniewski, A.;Bin Anooz, S.;Wagner, G.;Devi, A.;Fornari, R.;
7:1:136:3 Tunable RF Filters Fabricated Using MOCVD Deposited Graded Composition BST Films
DOI:10.1080/10584587.2011.574978 JN:INTEGRATED FERROELECTRICS PY:2011 TC:6 AU: Kalkur, T. S.;Sbrockey, N.;Tompa, G. S.;Cole, M. W.;
7:1:136:4 Impact of the crystallographic structure of epitaxially grown strained sodium-bismuth-titanate thin films on local piezo- and ferroelectric properties
DOI:10.1016/j.materresbull.2012.04.004 JN:MATERIALS RESEARCH BULLETIN PY:2012 TC:1 AU: Duk, Andreas;Schwarzkopf, Jutta;Kwasniewski, Albert;Schmidbauer, Martin;Fornari, Roberto;
7:1:136:5 High throughput physical vapour deposition and dielectric and ferroelectric screening of (Bi,Na)TiO3 thin-film libraries
DOI:10.1063/1.4773101 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Darby, Mark S. B.;Guerin, Samuel;Hayden, Brian E.;Schreiner, Hans-Juergen;Yakovlev, Sergey;
7:1:136:6 Fine tuning epitaxial strain in ferroelectrics: PbxSr1-xTiO3 on DyScO3
DOI:10.1063/1.3532103 JN:APPLIED PHYSICS LETTERS PY:2010 TC:4 AU: Rispens, G.;Heuver, J. A.;Noheda, B.;
7:1:136:7 Depositions of SrRuO3 thin films on oxide substrates with liquid-delivery spin MOCVD
DOI:10.1016/j.tsf.2009.12.057 JN:THIN SOLID FILMS PY:2010 TC:5 AU: Schwarzkopf, J.;Dirsyte, R.;Devi, A.;Schmidbauer, M.;Wagner, G.;Fornari, R.;
7:1:136:8 Impact of epitaxial strain on the ferromagnetic transition temperature of SrRuO3 thin films
DOI:10.1016/j.tsf.2011.03.132 JN:THIN SOLID FILMS PY:2011 TC:4 AU: Dirsyte, R.;Schwarzkopf, J.;Schmidbauer, M.;Wagner, G.;Irmscher, K.;Bin Anooz, S.;Fornari, R.;
7:1:136:9 High throughput synthesis and characterization of the PbnNb2O5+n (0.5 < n < 4.1) system on a single chip
DOI:10.1016/j.actamat.2010.12.023 JN:ACTA MATERIALIA PY:2011 TC:2 AU: Mirsaneh, Mehdi;Hayden, Brian E.;Miao, Shu;Pokorny, Jan;Perini, Steve;Furman, Eugene;Lanagan, Michael T.;Ubic, Rick;Reaney, Ian M.;
7:1:136:10 Influence of Na on the structure of Bi4Ti3O12 films deposited by liquid-delivery spin MOCVD
DOI:10.1016/j.tsf.2010.12.206 JN:THIN SOLID FILMS PY:2011 TC:4 AU: Schwarzkopf, J.;Dirsyte, R.;Devi, A.;Kwasniewski, A.;Schmidbauer, M.;Wagner, G.;Michling, M.;Schmeisser, D.;Fornari, R.;
7:1:136:11 Tunable Coplanar Wave Guide Band Stop Filters
DOI:10.1080/10584587.2013.780138 JN:INTEGRATED FERROELECTRICS PY:2013 TC:0 AU: Aldeeb, Hassan;Kalkur, T. S.;
7:1:136:12 Structural and transport properties of SrRuO3 thin films grown by MOCVD on (001) SrTiO3 substrates: The role of built-in strain and extra phases
DOI:10.1016/j.mseb.2011.02.008 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2011 TC:0 AU: Bin Anooz, S.;Schwarzkopf, J.;Dirsyte, R.;Schmidbauer, M.;Irmscher, K.;Kwasniewski, A.;Fornari, R.;
7:1:137:1 Anomalous elastic behavior of relaxor ferroelectric Ca0.28Ba0.72Nb2O6 single crystals
DOI:10.1103/PhysRevB.84.174102 JN:PHYSICAL REVIEW B PY:2011 TC:12 AU: Pandey, Chandra Shekhar;Schreuer, Juergen;Burianek, Manfred;Muehlberg, Manfred;
7:1:137:2 Relaxor behavior of CaxBa1-xNb2O6 (0.18 <= x <= 0.35) tuned by Ca/Ba ratio and investigated by resonant ultrasound spectroscopy
DOI:10.1103/PhysRevB.87.094101 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Pandey, Chandra Shekhar;Schreuer, Juergen;Burianek, Manfred;Muehlberg, Manfred;
7:1:137:3 Critical slowing down and elastic anomaly of uniaxial ferroelectric Ca0.28Ba0.72Nb2O6 crystals with tungsten bronze structure
DOI:10.1103/PhysRevB.90.064110 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Suzuki, K.;Matsumoto, K.;Dec, J.;Lukasiewicz, T.;Kleemann, W.;Kojima, S.;
7:1:137:4 Relaxor behavior of ferroelectric Ca0.22Sr0.12Ba0.66Nb2O6
DOI:10.1063/1.4775686 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Pandey, Chandra Shekhar;Schreuer, Juergen;Burianek, Manfred;Muehlberg, Manfred;
7:1:137:5 Temperature dependence of elastic moduli of polycrystalline beta plutonium
DOI:10.1103/PhysRevB.84.064105 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Suzuki, Yoko;Fanelli, V. R.;Betts, J. B.;Freibert, F. J.;Mielke, C. H.;Mitchell, J. N.;Ramos, M.;Saleh, T. A.;Migliori, A.;
7:1:137:6 Anomalous elastic behavior of relaxor ferroelectric Ca0.28Ba0.72Nb2O6:Ce studied by resonant ultrasound spectroscopy
DOI:10.1063/1.3670323 JN:APPLIED PHYSICS LETTERS PY:2011 TC:3 AU: Pandey, Chandra Shekhar;Schreuer, Juergen;Burianek, Manfred;Muehlberg, Manfred;
7:1:137:7 Polar nanoregions of Ca0.28Ba0.72Nb2O6 probed by second harmonic generation and Raman spectroscopy at high pressure
DOI:10.1063/1.4885837 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Ruiz-Fuertes, J.;Bayarjargal, L.;Winkler, B.;Burianek, M.;Muehlberg, M.;
7:1:137:8 Elastic and piezoelectric constants of tourmaline single crystals at non-ambient temperatures determined by resonant ultrasound spectroscopy
DOI:10.1063/1.3673820 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Pandey, Chandra Shekhar;Schreuer, Juergen;
7:1:137:9 Relaxor Behavior of Pure and Cerium Doped CaxBa1-xNb2O6
DOI:10.1080/00150193.2014.893152 JN:FERROELECTRICS PY:2014 TC:0 AU: Pandey, C. S.;Schreuer, J.;Burianek, M.;Muehlberg, M.;
7:1:137:10 Correlation between dielectric properties and chemical composition of the tourmaline single crystals
DOI:10.1063/1.3646912 JN:APPLIED PHYSICS LETTERS PY:2011 TC:1 AU: Pandey, Chandra Shekhar;Jodlauk, Sven;Schreuer, Juergen;
7:1:138:1 Fabrication of [100]-oriented bismuth sodium titanate ceramics with small grain size and high density for piezoelectric materials
DOI:10.1016/j.jeurceramsoc.2013.11.031 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:8 AU: Hu, Dengwei;Mori, Kotaro;Kong, Xingang;Shinagawa, Kazunari;Wada, Satoshi;Feng, Qi;
7:1:138:2 Topochemical synthesis of plate-like Na0.5Bi0.5TiO3 templates from Bi4Ti3O12
DOI:10.1016/j.matlet.2010.02.037 JN:MATERIALS LETTERS PY:2010 TC:14 AU: Wu, Mengjia;Li, Yongxiang;
7:1:138:3 Solvothermal Soft Chemical Synthesis and Characterization of Nanostructured Ba1-x(Bi0.5K0.5)(x)TiO3 Platelike Particles with Crystal-Axis Orientation
DOI:10.1021/cm2015252 JN:CHEMISTRY OF MATERIALS PY:2011 TC:11 AU: Kong, Xingang;Hu, Dengwei;Ishikawa, Yoshie;Tanaka, Yasuhiro;Feng, Qi;
7:1:138:4 Effects of Bi3+ content and grain size on electrical properties of SrBi2Ta2O9 ceramic
DOI:10.1016/j.matlet.2012.02.043 JN:MATERIALS LETTERS PY:2012 TC:1 AU: Liu, Hairui;Li, Qiang;Ma, Jun;Chu, Xiangcheng;
7:1:138:5 Slurry Synthesis of Bismuth Sodium Titanate with a Transient Aurivillius-Type Structure
DOI:10.1111/j.1551-2916.2009.03488.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:5 AU: Qi, Jianquan;Sun, Li;Du, Peng;Li, Longtu;
7:1:138:6 Preparation of Crystal-Axis-Oriented Barium Calcium Titanate Plate-Like Particles and Its Application to Oriented Ceramic
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7:1:138:7 Processing and Morphology of (111) BaTiO3 Crystal Platelets by a Two-Step Molten Salt Method
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7:1:138:8 Effect of calcium on the structural properties of Ba(1-x)Ca (x) TiO3 particles synthesized by complex polymerization method
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7:1:138:9 Characterization and dielectric behavior of a new dielectric ceramics MgTiO3-Ca0.8Sr0.2TiO3 at microwave frequencies
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7:1:138:10 Phase evolution, crystal structure and dielectric behavior of (1-x)Nd(Zn0.5Ti0.5)O-3 + xBi(Zn0.5Ti0.5)O-3 compound ceramics
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7:1:138:11 Electret state in Bi4Ti3O12 ceramics
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7:1:139:1 High Tunability in (111)-Oriented Relaxor Pb0.8Ba0.2ZrO3 Thin Film with Antiferroelectric and Ferroelectric Two-Phase Coexistence
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7:1:139:2 Tunable electric properties of PbZrO3 films related to the coexistence of ferroelectricity and antiferroelectricity at room temperature
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7:1:139:3 High tunable dielectric response of Pb(0.87)Ba(0.1)La(0.02)(Zr(0.6)Sn(0.33)Ti(0.07))O(3) thin film
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7:1:139:4 High dielectric non-linear properties of the Pb[(Mg1/3Nb2/3)(0.8)(Sc1/2Nb1/2)(0.2)]O-3 ceramics
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7:1:139:5 The Contribution of the "Extrinsic" Polarizations to the Dielectric Tunability of Pb(Mg1/3Nb2/3)1-xTixO3 Relaxor Ferroelectrics
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7:1:139:6 High dielectric tunability of KTa0.60Nb0.40O3 single crystal
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7:1:139:7 Bi-Tunable Dielectric Constant of Antiferroelectric PZT Ceramics Under DC Electric Field
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7:1:139:8 Tunability properties in the paraelectric state of the Pb(Mg1/3Nb2/3)O-3 ceramics
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7:1:140:1 Crystallization Behavior and Dielectric Properties of Ferroelectric Glass-ceramics Containing BNN and NN Crystals
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7:1:140:2 Impedance Spectroscopy Studies of Fresnoites in BaO-TiO2-SiO2 System
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7:1:140:3 Crystallization and Dielectric Properties of Ferroelectric Glass-Ceramics Containing Sodium Niobate Crystals
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7:1:140:4 Crystallization in Na2O-Nb2O5-Al2O3-SiO2 glass-ceramics system with partial replacement of SnO2 for Al2O3
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7:1:140:5 Influence of crystallization time on microstructures and dielectric properties of tungsten-bronze glass-ceramics
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7:1:140:6 Synthesis, Structural, and Electrical Properties of Ca-Modified Ba2TiSi2O8 Ceramics
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7:1:140:7 X-ray, scanning electron microscopy and electrical properties of synthetic fresnoite (Ba2TiSi2O8) ceramics
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7:1:140:8 Synthesis of Ba2TiOSi2O7 and Ba2TiOSi1.8Ge0.2O7 ferroelectric ceramics and the structure determination by Rietveld analysis
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7:1:140:9 Formation and Dielectric Properties of NaNbO3 Phase in the Ferroelectric Glass-Ceramic Na2O-Nb2O5-Al2O3-SiO2 System with Addition of ZrO2
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7:1:140:10 Dielectric investigation of sodium potassium niobate ceramic doped 7% of antimony
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7:1:140:11 Testing media influences on the dielectric properties of lead sodium niobate glass-ceramics
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7:1:140:12 Dielectric Properties of Ferroelectric Glass-Ceramics of the Na2O-K2O-Nb2O5-Al2O3-SiO2 System with Partial Substitution of K2O for Na2O
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7:1:141:1 Phase composition, microstructure, and dielectric properties of dysprosium-doped Ba(Zr0.1Ti0.9)O-3-based Y5V ceramics with high permittivity
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7:1:141:2 Synthesis, structure, and dielectric properties of a novel perovskite-based nanopowders via sol-gel method: (1-x)BaTiO3-xDyScO(3)
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7:1:141:3 Microstructure and thermal properties of dysprosium and thulium co-doped barium titanate ceramics for high performance multilayer ceramic capacitors
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7:1:141:4 Deterioration behavior analysis of dysprosium and thulium co-doped barium titanate ceramics for multilayer ceramic capacitors
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7:1:141:5 Sol-gel synthesis of A-site-ordered and homogeneous (Nd-0.55, Li-0.35)TiO3 ceramic and its dielectric properties
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7:1:141:6 Broadband control of the viscoelasticity of ferroelectrics via domain switching
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7:1:141:7 Investigating the vibration damping behavior of barium titanate (BaTiO3) ceramics for use as a high damping reinforcement in metal matrix composites
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7:1:141:8 Solubility limits and microwave dielectric properties of Ba6-3xSm8+2xTi18O54 solid solution
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7:1:141:9 Substitutional analysis of perovskite-type dysprosium and thulium co-doped barium titanate ceramics by a near edge X-ray absorption fine structure
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7:1:141:10 Vibration and damping characteristics of cylindrical shells with active constrained layer damping treatments
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7:1:141:11 A novel process to synthesize high-k 'Y5V' nanopowder and ceramics
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7:1:142:1 Control of domain configurations and sizes in crystallographically engineered ferroelectric single crystals: Phase field modeling
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7:1:142:2 Correlated inter-grain switching in polycrystalline ferroelectric thin films
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7:1:142:3 Aging-stabilization of ferroelectric domains and internal electric field due to short-range ordering of charged point defects: Phase field modeling
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7:1:142:4 Edge and finite size effects in polycrystalline ferroelectrics
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7:1:142:5 Aging-induced abnormality of dielectric response under dc bias in Ba(Zr, Ti)O-3 thin films
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7:1:142:6 Modeling 180 degrees Domain Switching Population Dynamics in Polycrystalline Ferroelectrics
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7:1:142:7 A quantitative model for stabilization effect induced by ferroelectric aging
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7:1:142:8 Correlated nucleation and self-accommodating kinetic pathway of ferroelectric phase transformation
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7:1:142:9 Microstructural evolution of Mn-rich antiferromagnetic Mn-Cu alloy under temperature field
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7:1:142:10 Intrinsic origin of rubber-like behavior in thermoelastic alloys
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7:1:142:11 Aging-induced two-step ferroelectric-to-paraelectric transition in acceptor-doped ferroelectrics
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7:1:142:12 Two-Step Ferroelectric to Paraelectric Transition Caused by Peak Aging
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7:1:143:1 Effects of superimposed electric field and porosity on the hydrostatic pressure-induced rhombohedral to orthorhombic martensitic phase transformation in PZT 95/5 ceramics
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7:1:143:2 Effects of aging and annealing on the polar and antiferrodistortive components of the antiferroelectric transition in PbZr1-xTixO3
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7:1:143:3 Temperature dependent Raman scattering and far-infrared reflectance spectra of MgO modified Pb-0.99(Zr0.95Ti0.05)(0.98)Nb0.02O3 ceramics: A composition effect
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7:1:143:4 Splitting of the transition to the antiferroelectric state in PbZr0.95Ti0.05O3 into polar and antiferrodistortive components
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7:1:143:5 Phenomenological description of depoling current in Pb0.99Nb0.02(Zr0.95Ti0.05)(0.98)O-3 ferroelectric ceramics under shock wave compression: Relaxation model
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7:1:143:6 Microstructure, electrical and mechanical properties of MgO nanoparticles-reinforced porous PZT 95/5 ferroelectric ceramics
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7:1:143:7 Effect of MgO Nanoparticles on Properties of PZT Ceramics
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7:1:143:8 Peculiarities of Ferro-Antiferroelectric Phase Transitions 9. Can the Substances with Coexisting Ferroelectric and Antiferroelectric Phases Mimic the Dipole-Glass Behavior?
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7:1:144:1 Dielectric and tunable properties of columnar Ba0.6Sr0.4TiO3-MgO composites prepared by spark plasma sintering
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7:1:144:2 Controllable-permittivity and high-tunability of Ba0.5Sr0.5TiO3/MgO based ceramics by composite configuration
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7:1:144:3 Microstructure-Dielectric Properties Relationship in Ba0.6Sr0.4TiO3-Mg2SiO4-Al2O3 Composite Ceramics
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7:1:144:4 Extremely High Tunability of Low Dielectric Constant 1-3 Type (Ba,Sr)TiO3/Resin Epoxy
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7:1:144:5 Property optimization of Ba0.4Sr0.6TiO3-BaMoO4 composite ceramics for tunable microwave applications
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7:1:144:6 Microwave dielectric properties of tunable Ba0.5Sr0.5TiO3 and scheelite AMoO(4) (A = Ba, Sr) composite ceramics
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7:1:144:7 Microstructure and dielectric properties of Ba0.6Sr0.4TiO3-MgAl2O4 composite ceramics
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7:1:144:8 Ferroelectric-Dielectric Composites Model of Ba0.5Sr0.5TiO3/Mg(2)AO(4)(A = Ti, Si) for Tunable Application
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7:1:144:9 Controllable-permittivity and high-tunability of Ba0.5Sr0.5TiO3/MgO based ceramics by composite configuration (vol 102, 142907, 2013)
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7:1:145:1 Taguchi based fuzzy logic optimization of multiple quality characteristics of cobalt disulfide nanostructures
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7:1:145:2 The optimum conditions for preparing the lead-free piezoelectric ceramic of Bi0.5Na0.5TiO3 using the Taguchi method
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7:1:145:3 Preparation and characterization of the lead-free piezoelectric ceramic of Bi0.5Na0.5TiO3 doped with CuO
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7:1:145:4 Preparation and characterization of the bismuth sodium titanate (Na0.5Bi0.5TiO3) ceramic doped with ZnO
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7:1:145:5 The effects of MgO doping and sintering temperature on the microstructure of the lead-free piezoelectric ceramic of Bi0.5Na0.5TiO3
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7:1:145:6 Synthesis of Pd/ZnO nanocomposites with high photocatalytic performance by a solvothermal method
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7:1:145:7 Simulation of structural features on mechanochemical synthesis of Al2O3-TiB2 nanocomposite by optimized artificial neural network
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7:1:145:8 Antibacterial activity of silver photodeposited nepheline thin film coatings
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7:1:146:1 Crack-free nanostructured BaTiO3 thin films prepared by sol-gel dip-coating technique
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7:1:146:2 A modified method for barium titanate nanoparticles synthesis
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7:1:146:3 Application of scanning microscopy to study correlation between thermal properties and morphology of BaTiO3 thin films
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7:1:146:4 Low Temperature Synthesis of Carbonate-Free Barium Titanate Nanoscale Crystals: Toward a Generalized Strategy of Titanate-Based Perovskite Nanocrystals Synthesis
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7:1:146:5 Development and investigation of novel nanoparticle embedded solutions with enhanced optical transparency
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7:1:146:6 Synthesis and Properties of BaTiO3 Nanopowders
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7:1:146:7 Pulsed laser deposition of semiconducting crystalline double-doped barium titanate thin films on nickel substrates
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7:1:146:8 Solar physical vapor deposition: A new approach for preparing magnesium titanate nanopowders
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7:1:146:9 Sonochemical Synthesis of Spherical BaTiO3 Nanoparticles
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7:1:146:10 Photoluminescence activity of Ba1-xCaxTiO3: dependence on particle size and morphology
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7:1:146:11 Preparation of Nanocrystalline BaTiO3 Powders, Fibers, and Thin Films From the Same Precursor Solution
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7:1:146:12 Electronic properties of BaTiO3/4H-SiC interface
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7:1:147:1 Enhanced electric field induced strain in SrTiO3 modified (K, Na) NbO3-based piezoceramics
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7:1:147:2 Piezoelectric and ferroelectric properties of CN-doped K0.5Na0.5NbO3 lead-free ceramics
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7:1:147:3 Effect of cobalt doping on the sintering mechanisms of the lead-free piezoceramic (Bi0.5Na0.5)TiO3
DOI:10.1016/j.jeurceramsoc.2013.07.021 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:2 AU: Schmitt, V.;Raether, F.;
7:1:147:4 Effects of Non-Stoichiometry on the Microstructure, Oxygen Vacancies, and Piezoelectric Properties of CuTa2O6-Doped NKN Ceramics
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7:1:147:5 Microstructure and Hardening Mechanism of K0.5Na0.5NbO3 Lead-Free Ceramics with CuO Doping Sintered in Different Atmospheres
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7:1:147:6 Influence of Li and La content on phase structures and electrical properties of K0.5Na0.5NbO3 lead-free piezoelectric ceramics
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7:1:147:7 Effects of sintering aid CuTa2O6 on piezoelectric and dielectric properties of sodium potassium niobate ceramics
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7:1:147:8 MnO2-Modified Ba(Ti,Zr)O-3 Ceramics with High Q (m) and Good Thermal Stability
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7:1:148:1 Percolative BaTiO3-Ni composite nanopowders from alkoxide-mediated synthesis
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7:1:148:2 Synthesis, spark plasma sintering and electrical conduction mechanism in BaTiO3-Cu composites
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7:1:148:3 Electronic Conduction Mechanisms in BaTiO3-Ni Composites with Ultrafine Microstructure Obtained by Spark Plasma Sintering
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7:1:148:4 Growth, structure and dielectric characteristics of Ba[(Fe1/2Nb1/2)(0.1)Ti-0.9]O-3 thin films by pulsed laser deposition
DOI:10.1063/1.4789820 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Zhang, Wei;Li, Lei;Chen, Xiang Ming;
7:1:148:5 Characteristics of Ag-doped BaTiO3 nanopowders prepared by spray pyrolysis
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7:1:148:6 Synthesis, sintering and dielectric properties of a BaTiO3-Ni composite
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7:1:148:7 Metallic electrolyte composites in the framework of the brick-layer model
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7:1:148:8 Nano-sized Ag-BaTiO3 composite powders with various amount of Ag prepared by spray pyrolysis
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7:1:148:9 Microstructure and electrical properties of BaTiO3/Cu ceramic composite sintered in nitrogen atmosphere
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7:1:148:10 Enhanced mechanical and dielectric behavior of BaTiO3/Cu composites
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7:1:149:1 Phase Characteristics and Piezoelectric Properties in the Bi0.5Na0.5TiO3-BaTiO3-K0.5Na0.5NbO3 System
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7:1:149:2 Structure, Ferroelectric, and Piezoelectric Properties of (Bi0.5Na0.5)(1-x-y-z)(Bi0.5K0.5)(x)BaySrzTiO3 Lead-Free Ceramics
DOI:10.1111/j.1551-2916.2009.03473.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:9 AU: Lin, Dunmin;Kwok, Kin Wing;
7:1:149:3 Dielectric, ferroelectric and piezoelectric properties of Bi0.5Na0.5TiO3-(Ba0.7Ca0.3)TiO3 ceramics at morphotropic phase boundary composition
DOI:10.1016/j.mseb.2010.12.007 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2011 TC:7 AU: Yang, Jingna;Liu, Peng;Bian, Xiaobing;Jing, Huixia;Wang, Yajuan;Zhang, Yu;Wu, Yi;Song, Wuhui;
7:1:149:4 Piezoelectric properties of lead-free submicron-structured (Bi0.5Na0.5)(0.94)Ba0.06TiO3 ceramics from nanopowders
DOI:10.1088/0964-1726/19/11/115007 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:6 AU: Pardo, Lorena;Garcia, Alvaro;Brebol, Klaus;Mercadelli, Elisa;Galassi, Carmen;
7:1:149:5 Synthesis of nano-crystalline potassium sodium niobate ceramic using mechanochemical activation
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7:1:149:6 Microstructure and Dielectric Properties of BCZT-NBT Ceramics
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7:1:149:7 Microstructural effects on the phase transitions and the thermal evolution of elastic and piezoelectric properties in highly dense, submicron-structured NaNbO3 ceramics
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7:1:149:8 Synthesis of NiCuZn-ferrite powders by means of mechanochemical treatment
DOI:10.1016/j.materresbull.2013.05.048 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:2 AU: Luo, Juhua;
7:1:150:1 Low loss microwave ferroelectric ceramics for high power tunable devices
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7:1:150:2 Nanocrystalline Barium Strontium Titanate Ceramics Synthesized via the "Organosol" Route and Spark Plasma Sintering
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7:1:150:3 The effect of Bi1.5Zn0.5Nb0.5Ti1.5O7 cover layer on the dielectric and tunable properties of Ba0.6Sr0.4TiO3/Bi1.5Zn0.5Nb0.5Ti1.5O7 bilayered thin films
DOI:10.1016/j.mseb.2013.08.009 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2013 TC:0 AU: Sun, Xiaohua;Yang, Ying;Zhang, Qiaoling;Luo, Zhimeng;Hou, Shuang;Huang, Caihua;Zou, Jun;
7:1:150:4 Effect of Zn Doping on the Microstructures and Dielectric Properties of BaTi0.9Sn0.1O3 Ceramics
DOI:10.1080/00150193.2011.554265 JN:FERROELECTRICS PY:2011 TC:0 AU: Fu, Chunlin;Yang, Jing;Cai, Wei;Deng, Xiaoling;
7:1:150:5 Sinterability and dielectric properties of Ba0.55Sr0.4Ca0.05TiO3-CaTiSiO5-Mg2TiO4 composite ceramics
DOI:10.1016/j.jallcom.2011.08.066 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:5 AU: Jia, Qianqian;Ji, Huiming;Li, Xiaolei;Liu, Shan;Jin, Zhengguo;
7:1:150:6 Optical tuning of dielectric properties of Ba0.6Sr0.4TiO3-La(Mg0.5Ti0.5)O-3 ceramics in the terahertz range
DOI:10.1063/1.4829479 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Wu, Liang;Jiang, Linkun;Xu, Yebin;Ding, Xin;Yao, Jianquan;
7:1:150:7 Experimental Demonstration of Wakefield Acceleration in a Tunable Dielectric Loaded Accelerating Structure
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7:1:150:8 Stoichiometry and Grain Boundaries Control by Spark Plasma Sintering in Ba0.6Sr0.4TiO3:Mn/MgO Composites
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7:1:150:9 Solvothermal synthesis and Curie temperature of monodispersed barium titanate nanoparticles
DOI:10.1016/j.matchemphys.2010.08.063 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2010 TC:6 AU: Mao, Yanping;Mao, Shaoyu;Ye, Zuo-Guang;Xie, Zhaoxiong;Zheng, Lansun;
7:1:150:10 The Influence of the "Heating-Cooling" Process Rate on the Temperature Hysteresis of Ferroelectric Capacitor Structures
DOI:10.1080/00150193.2013.823315 JN:FERROELECTRICS PY:2013 TC:0 AU: Dedyk, A. I.;Pavlova, Yu V.;Semenov, A. A.;Es'kov, A. V.;Beliavskiy, P. Yu;Mylnikov, I. L.;Pakhomov, O. V.;Starkov, A. S.;Starkov, I. A.;
7:1:150:11 Anomalous Correlation between Dielectric Constant and Tunability in (Ba, Sr)TiO3-MgO-Mg2SiO4 Composite Ceramics
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7:1:151:1 Low shear compounding process for thermoplastic fabrication of ferroelectric lead-free fibres
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7:1:151:2 A new measurement method of piezoelectric properties of single ceramic fibres
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7:1:151:3 Tape cast porosity-graded piezoelectric ceramics
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7:1:151:4 Ferroelectric and electromechanical property characterization of single Pb(ZrTi)O-3 fiber resonator
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7:1:151:5 Fabrication, characterization, and modeling of piezoelectric fiber composites
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7:1:151:6 Effects of different thermoplastic binders on the processability of feedstocks for ceramic co-extrusion process
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7:1:151:7 Preparation of Ba0.5Sr0.5Co0.8Fe0.2O3-delta (BSCF) feedstocks with different thermoplastic binders and their use in the production of thin tubular membranes by extrusion
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7:1:151:8 Alternative production route for supporting La0.8Sr0.2MnO3-delta-Ce0.8Gd0.2O2-delta (LSM-GDC)
DOI:10.1016/j.ijhydene.2012.02.091 JN:INTERNATIONAL JOURNAL OF HYDROGEN ENERGY PY:2012 TC:4 AU: Gondolini, A.;Mercadelli, E.;Pinasco, P.;Zanelli, C.;Melandri, C.;Sanson, A.;
7:1:151:9 Effects of A-Site Nonstoichiometry on Dielectric and Piezoelectric Properties of Pb-Free (Na0.53+xK0.47)(Nb0.55Ta0.45)O-3 Ceramics
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7:1:151:10 Processing and Properties of Co-Extruded Lead Zirconate Titanate Fibers
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7:1:151:11 Enhanced piezoelectric properties of lead zirconate titanate sol-gel derived ceramics using single crystal PbZr0.52Ti0.48O3 cubes
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7:1:151:12 Modelling of the measured longitudinal piezoelectric coefficient of single ceramic fibres with annular electrodes
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7:1:151:13 Embossing of ceramic micro-pillar arrays
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7:1:152:1 Fabrication of BaTiO3 nanoparticles and its formation mechanism using the high temperature mixing method under hydrothermal conditions
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7:1:152:2 Piezoelectric and ferroelectric properties of K0.5Na0.5NbO3 ceramics synthesized by spray drying method
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7:1:152:3 Microwave Synthesis of Noncentrosymmetric BaTiO3 Truncated Nanocubes for Charge Storage Applications
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7:1:152:4 Synthesis of (K, Na)NbO3 particles by high temperature mixing method under hydrothermal conditions
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7:1:152:5 Electromechanical Properties and Microstructure Evolution of BNT-BT Piezoelectric Ceramics
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7:1:152:6 Characterization and synthesis of KTa0.1Nb0.9O3 particles via high temperature mixing method under hydrothermal conditions
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7:1:152:7 Barium zirconate titanate nanoparticles synthesized by the sonochemical method
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7:1:152:8 Preparation and characterization of monodispersed BaTiO3 nanocrystals by sol-hydrothemal method
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7:1:152:9 The Influence of Firing Temperatures on the Crystal Structure, Microstructure and Dielectric Properties of 0.79Bi(0.5)Na(0.5)TiO(3)-0.18Bi(0.5)K(0.5)TiO(3)-0.03BiFeO(3) Ceramics Prepared via the Combustion Technique
DOI:10.1080/00150193.2013.843340 JN:FERROELECTRICS PY:2013 TC:1 AU: Sumang, Rattiphorn;Bongkarn, Theerachai;
7:1:152:10 Nanocomposite thin films for miniaturized multi-layer ceramic capacitors prepared from barium titanate nanoparticle based hybrid solutions
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7:1:152:11 Effect of Calcination Temperature and Content of x and y on Crystal Structure and Microstructure of (1-x-y) Bi0.5Na0.5TiO3-xBi(0.5)K(0.5)TiO(3)-yBiFeO(3) Powders near MPB Prepared via the Combustion Technique
DOI:10.1080/10584587.2013.852030 JN:INTEGRATED FERROELECTRICS PY:2013 TC:0 AU: Sumang, Rattiphorn;Bongkarn, Theerachai;
7:1:153:1 Effect of mechanical activation on the structure and ferroelectric property of Na0.5K0.5NbO3
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7:1:153:2 Molten salt synthesis of PZT powder for direct write inks
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7:1:153:3 Structural, microstructural and thermal properties of lead-free bismuth-sodium-barium-titanate piezoceramics synthesized by mechanical alloying
DOI:10.1016/j.materresbull.2012.11.008 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:4 AU: Amini, Rasool;Ghazanfari, Mohammad Reza;Alizadeh, Morteza;Ardakani, Hamed Ahmadi;Ghaffari, Mohammad;
7:1:153:4 Synthesis and piezoelectric properties of KxNa1-xNbO3 ceramic by molten salt method
DOI:10.1016/j.jallcom.2010.01.139 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:11 AU: Li, Yueming;Wang, Jinsong;Liao, Runhua;Huang, Dan;Jiang, Xiangping;
7:1:153:5 Molten hydroxide synthesis as an alternative to molten salt synthesis for producing K0.5Na0.5NbO3 lead free ceramics
DOI:10.1007/s10853-011-5984-8 JN:JOURNAL OF MATERIALS SCIENCE PY:2012 TC:6 AU: Lusiola, Tony;Bortolani, Francesca;Zhang, Qi;Dorey, Robert;
7:1:153:6 X-ray diffraction and dielectric studies across morphotropic phase boundary in (1-x) [Pb(Mg0.5W0.5)O-3]-xPbTiO(3) ceramics
DOI:10.1016/j.jallcom.2011.02.027 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:2 AU: Singh, A. K.;Singh, Akhilesh Kumar;
7:1:153:7 Effects of the sintering temperature on the diffused phase transition and the spin-glassy behavior in Pb(0.95)La(0.05)(Fe(2/3)W(1/3))(0.65)Ti(0.35)O(3) ceramics
DOI:10.1063/1.3415529 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Hong, Cheng-Shong;Chu, Sheng-Yuan;Hsu, Chi-Cheng;
7:1:153:8 Na0.5K0.5NbO3 and 0.9Na(0.5)K(0.5)NbO(3)-0.1Bi(0.5)Na(0.5)TiO(3) nanocrystalline powders synthesized by low-temperature solid-state reaction
DOI:10.1016/j.apt.2013.01.001 JN:ADVANCED POWDER TECHNOLOGY PY:2013 TC:2 AU: Liu, Laijun;Zheng, Shaoying;Huang, Ruijing;Shi, Danping;Huang, Yanmin;Wu, Shuangshuang;Li, Yunhua;Fang, Liang;Hu, Changzheng;
7:1:153:9 Dielectric and Piezoelectric Properties of (1-x)[Pb(Mg0.5W0.5)O-3]-xPbTiO(3) Ceramics
DOI:10.1080/10584587.2010.503524 JN:INTEGRATED FERROELECTRICS PY:2010 TC:2 AU: Singh, A. K.;Singh, Akhilesh Kumar;
7:1:154:1 Influence of small DC bias field on the electrical behaviour of Sr- and Mg-doped lanthanum gallate
DOI:10.1007/s00339-014-8332-4 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2014 TC:0 AU: Raghvendra;Singh, Rajesh Kumar;Singh, Prabhakar;
7:1:154:2 Impedance spectroscopic studies of sol-gel derived barium strontium titanate thin films
DOI:10.1016/j.jeurceramsoc.2009.06.036 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:27 AU: Czekaj, D.;Lisinska-Czekaj, A.;Orkisz, T.;Orkisz, J.;Smalarz, G.;
7:1:154:3 Effects of CaZrO3 on X8R Nonreducible BaTiO3-Based Dielectric Ceramics
DOI:10.1111/j.1551-2916.2011.04563.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:14 AU: Yao, Guofeng;Wang, Xiaohui;Sun, Tieyu;Li, Longtu;
7:1:154:4 Thermal ageing of nanostructured tetragonal zirconia ceramics: Characterization of interfaces
DOI:10.1016/j.jeurceramsoc.2009.05.004 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:9 AU: Rocha, R. A.;Muccillo, E. N. S.;Dessemond, L.;Djurado, E.;
7:1:154:5 The impedance analysis for the aging mechanism of CaO excess type calcium zirconate electrolyte material comparing with 8.5 YSZ
DOI:10.1016/j.ssi.2014.04.010 JN:SOLID STATE IONICS PY:2014 TC:0 AU: Li, Hui-Yu;Guo, Xing-Min;
7:1:154:6 Effect of DC bias on electrical conductivity of nanocrystalline alpha-CuSCN
DOI:10.1063/1.3583601 JN:AIP ADVANCES PY:2011 TC:3 AU: Prakash, T.;Ramasamy, S.;Murty, B. S.;
7:1:154:7 Microwave sintering of dielectric CaCu3Ti4O12: An interfacial conductance and dipole relaxation effect
DOI:10.1016/j.jallcom.2012.07.052 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:4 AU: Kumar, Ranjit;Zulfequar, M.;Singh, V. N.;Tawale, J. S.;Senguttuvan, T. D.;
7:1:154:8 Influence of Grain and Grain-Boundary Resistances on Dielectric Properties of KNbO3 Under Small DC Bias Field
DOI:10.1111/jace.12466 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:3 AU: Sharath, Sankaramangalam Ulhas;Singh, Rajesh Kumar;Raghvendra;Singh, Bheeshma Pratap;Kumar, Pravin;Singh, Prabhakar;
7:1:154:9 Correlation between the chemical composition and the conduction mechanism of barium strontium titanate thin films
DOI:10.1016/j.jallcom.2011.04.068 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:4 AU: Saif, Ala'eddin A.;Poopalan, P.;
7:1:154:10 On the use of the constant phase element to understand variation in grain boundary properties
DOI:10.1016/j.ssi.2013.12.030 JN:SOLID STATE IONICS PY:2014 TC:2 AU: McNealy, Benjamin E.;Hertz, Joshua L.;
7:1:154:11 Structural, dielectric and ac conductivity properties of Ni-doped HoFeO3 before and after gamma irradiation
DOI:10.1007/s00339-014-8228-3 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2014 TC:0 AU: Habib, Zubida;Ikram, M.;Majid, Kowsar;Asokan, K.;
7:1:154:12 Low temperature synthesis of ultrafine non vermicular alpha-alumina from aerosol decomposition of aluminum nitrates salts
DOI:10.1016/j.jeurceramsoc.2013.01.035 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:1 AU: Aman, Yann;Rossignol, Cecile;Garnier, Vincent;Djurado, Elisabeth;
7:1:154:13 Electric Properties of La3+ Doped BaTiO3 Ceramics
DOI:10.1080/00150193.2011.578988 JN:FERROELECTRICS PY:2011 TC:0 AU: Wodecka-Dus, B.;Czekaj, D.;
7:1:155:1 Microwave-assisted synthesis and sintering of potassium sodium niobate lead-free piezoelectric ceramics
DOI:10.1016/j.ceramint.2013.06.081 JN:CERAMICS INTERNATIONAL PY:2014 TC:6 AU: Feizpour, Mahdi;Bafrooei, Hadi Barzegar;Hayati, Roghayeh;Ebadzadeh, Touradj;
7:1:155:2 The fine-grained KNN-LN ceramics densified from nanoparticles obtained by an economical sol-gel route
DOI:10.1016/j.matchemphys.2012.03.026 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:4 AU: Hou, Yudong;Wang, Chao;Zhao, Jingli;Ge, Haiyan;Zhu, Mankang;Yan, Hui;
7:1:155:3 Preparation of Phase-Pure K0.5Na0.5NbO3 Fine Powders by a Solid-State Reaction at 625 degrees C from a Precursor Comprising Nb2O5 and K, Na Acetates
DOI:10.1111/jace.12727 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:0 AU: Senna, Mamoru;Pavlic, Jernej;Rojac, Tadej;Malic, Barbara;Kosec, Maria;
7:1:155:4 Effect of sintering temperature on ferroelectric properties of 0.94(K0.5Na0.5)NbO3-0.06LNbO(3) system
DOI:10.1016/j.ceramint.2010.02.014 JN:CERAMICS INTERNATIONAL PY:2010 TC:14 AU: Kumar, P.;Palei, P.;
7:1:155:5 Synthesis of size controlled phase pure KNbO3 fine particles via a solid-state route from a core-shell structured precursor
DOI:10.1016/j.ceramint.2011.10.018 JN:CERAMICS INTERNATIONAL PY:2012 TC:4 AU: Kinoshita, Tamiko;Senna, Mamoru;Doshida, Yutaka;Kishi, Hiroshi;
7:1:155:6 Synthesis of potassium niobate (KNbO3) nano-powder by a modified solid-state reaction
DOI:10.1007/s10853-010-4967-5 JN:JOURNAL OF MATERIALS SCIENCE PY:2011 TC:3 AU: Chaiyo, Nopsiri;Ruangphanit, Anucha;Muanghlua, Rangson;Niemcharoen, Surasak;Boonchom, Banjong;Vittayakorn, Naratip;
7:1:155:7 Enhanced Structures and Electrical Properties of Lead-Free K0.5Na0.5NbO3-Bi0.5Na0.5TiO3 0-3 Composite Ferroelectric Thick Films
DOI:10.1111/j.1551-2916.2011.04524.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:6 AU: Ji, Hongfen;Ren, Wei;Wang, Lingyan;Shi, Peng;Chen, Xiaofeng;Wu, Xiaoqing;Yao, Xi;Lau, Sien-Ting;Zhou, Qifa;Shung, K. Kirk;
7:1:155:8 Synthesis and Morphology of KNbO3 Powders via Hydrothermal Method
DOI:10.1080/10584587.2013.852915 JN:INTEGRATED FERROELECTRICS PY:2013 TC:0 AU: Vuttivong, Sirajit;Vittayakorn, Naratip;
7:1:155:9 Dielectric and ferroelectric study of KNN modified NBT ceramics synthesized by microwave processing technique
DOI:10.1016/j.ceramint.2012.10.005 JN:CERAMICS INTERNATIONAL PY:2013 TC:4 AU: Swain, Sridevi;Kumar, Pawan;Agrawal, Dinesh K.;Sonia;
7:1:155:10 Improved piezoelectric properties of lead-free (1-x)(Na-0.K-5(0.5))NbO3-x (Ba0.95Sr0.05)TiO3 ceramics by particle size control
DOI:10.1016/j.ceramint.2014.04.041 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Ha, Jong-Yoon;Choi, Ji-Won;
7:1:155:11 Mechanochemical Synthesis of KxNa1-xNbO3 Powders
DOI:10.1080/00150191003676959 JN:FERROELECTRICS PY:2010 TC:2 AU: Zhu, Jingxian;Li, Zhenrong;Xu, Zhuo;Yao, Xi;
7:1:156:1 Low-temperature preparation and characterization of the PZT ferroelectric thin films sputtered on FTO glass substrate
DOI:10.1016/j.jallcom.2013.08.197 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:4 AU: Wang, Z. D.;Lai, Z. Q.;Hu, Z. G.;
7:1:156:2 Preparation of ferroelectric BaTi2O5 thin films on Pt(111)/Ti/SiO2/Si substrates by pulsed laser deposition
DOI:10.1016/j.jallcom.2011.09.049 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:4 AU: Wang, Junjun;Wang, Chuanbin;Shen, Qiang;Zhang, Lianmeng;
7:1:156:3 Structural, ferroelectric and dielectric properties of In2O3:Sn (ITO) on PbZr0.53Ti0.47O3 (PZT)/Pt and annealing effect
DOI:10.1016/j.jallcom.2011.03.022 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:9 AU: Kerkache, L.;Layadi, A.;Dogheche, E.;Remiens, D.;
7:1:156:4 Preparation and characterisation of PZT films by RF-magnetron sputtering
DOI:10.1016/j.jallcom.2011.03.021 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:9 AU: Frunza, Raluca;Ricinschi, Dan;Gheorghiu, Felicia;Apetrei, Radu;Luca, Dumitru;Mitoseriu, Liliana;Okuyama, Masanori;
7:1:156:5 Low-temperature crystallization of CSD-derived PZT thin film with laser annealing
DOI:10.1016/j.mseb.2009.12.017 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2010 TC:6 AU: Miyazaki, Takaharu;Imai, Takayuki;Wakiya, Naoki;Sakamoto, Naonori;Fu, Desheng;Suzuki, Hisao;
7:1:156:6 Polyethyleneimine surfactant effect on the formation of nano-sized BaTiO3 powder via a solid state reaction
DOI:10.1016/j.jallcom.2011.04.116 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:10 AU: Hsiang, Hsing-I.;Chang, Yu-Lun;Fang, Jang-Sen;Yen, Fu-Su;
7:1:156:7 Effect of sol composition on dielectric and ferroelectric properties of PZT composite films
DOI:10.1016/j.ceramint.2011.09.009 JN:CERAMICS INTERNATIONAL PY:2012 TC:7 AU: Sachdeva, Anupama;Tandon, R. P.;
7:1:156:8 Preparation and electrical properties of ZnO/PZT films by radio frequency reactive magnetron sputtering
DOI:10.1016/j.matlet.2012.06.015 JN:MATERIALS LETTERS PY:2012 TC:3 AU: Meng, Xiangqin;Yang, Chengtao;Fu, Wujun;Wan, Jing;
7:1:157:1 Physical and electromechanical properties of barium zirconium titanate synthesized at low-sintering temperature
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7:1:157:2 Enhanced dielectric and piezoelectric properties of xBaZrO(3)-(1-x)BaTiO3 ceramics
DOI:10.1063/1.4705467 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:18 AU: Dong, Liang;Stone, Donald S.;Lakes, Roderic S.;
7:1:157:3 Improvement in piezoelectric strain of annealed Ba(Zr0.07Ti0.93)O-3 based ceramics
DOI:10.1063/1.4812227 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Jarupoom, Parkpoom;Rujijanagul, Gobwute;
7:1:157:4 Viscoelastic sigmoid anomalies in BaZrO3-BaTiO3 near phase transformations due to negative stiffness heterogeneity
DOI:10.1557/jmr.2011.145 JN:JOURNAL OF MATERIALS RESEARCH PY:2011 TC:7 AU: Dong, Liang;Stone, Donald S.;Lakes, Roderic S.;
7:1:157:5 Phase formation and electrical properties of Ba(ZrxTi1-x)O-3 ceramics synthesized through a novel combustion technique
DOI:10.1016/j.ceramint.2012.10.105 JN:CERAMICS INTERNATIONAL PY:2013 TC:5 AU: Julphunthong, Phongthorn;Chootin, Suphornpun;Bongkarn, Theerachai;
7:1:157:6 Spherical Nanocrystalline Barium Zirconate Titanate Prepared by Co-Precipitation in Highly Basic Aqueous Solution
DOI:10.1080/00150193.2013.844054 JN:FERROELECTRICS PY:2013 TC:0 AU: Seeharaj, Panpailin;Wirunchit, Supamas;Charoonsuk, Piyanut;Kim-Lohsoontorn, Pattaraporn;Vittayakorn, Naratip;
7:1:157:7 BaZr0.3Ti0.7O3 Nanoparticles Synthesized by Glycine-Nitrate Autocombustion
DOI:10.1080/00150193.2013.846199 JN:FERROELECTRICS PY:2013 TC:0 AU: Seeharaj, Panpailin;Charoonsuk, Piyanut;Kim-Lohsoontorn, Pattaraporn;Vittayakorn, Naratip;
7:1:157:8 Structural and Electrical Properties of Ba(ZrxTi1-x)O-3 Films Prepared by RF-magnetron Sputtering Using Metal Targets
DOI:10.1080/10584587.2014.912110 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Kim, Jin Woong;Shima, Hiromi;Funakubo, Hiroshi;Nishida, Ken;Yamamoto, Takashi;
7:1:157:9 Microstructural investigation of sol-gel BZT powders
DOI:10.1016/j.matlet.2012.05.075 JN:MATERIALS LETTERS PY:2012 TC:4 AU: Thanachayanont, Chanchana;Yordsri, Visittapong;Kijamnajsuk, Suphakan;Binhayeeniyi, Nawal;Muensit, Nantakan;
7:1:158:1 De-aging of Fe-doped lead-zirconate-titanate ceramics by electric field cycling: 180 degrees- vs. non-180 degrees domain wall processes
DOI:10.1063/1.4739721 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:11 AU: Glaum, Julia;Genenko, Yuri A.;Kungl, Hans;Schmitt, Ljubomira Ana;Granzow, Torsten;
7:1:158:2 Site of incorporation and solubility for Fe ions in acceptor-doped PZT ceramics
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7:1:158:3 Evaluation of domain wall motion in bipolar fatigued lead-zirconate-titanate: A study on reversible and irreversible contributions
DOI:10.1063/1.3386461 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:9 AU: Glaum, Julia;Granzow, Torsten;Roedel, Juergen;
7:1:158:4 Determination of the True Operational Range of a Piezoelectric Actuator
DOI:10.1111/jace.13024 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:3 AU: Webber, Kyle G.;Franzbach, Daniel J.;Koruza, Jurij;
7:1:158:5 Microstructural, Electrical, and Magnetic Properties of Acceptor-Doped Nanostructured Lead Zirconate Titanate
DOI:10.1111/j.1551-2916.2011.04625.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:4 AU: Puthucheri, Smitha;Pandey, Prashant K.;Gajbhiye, Namdeo S.;Gupta, Arti;Singh, Anupinder;Chatterjee, Ratnamala;Date, Sadgopal K.;
7:1:158:6 Influence of Domain Switching and Domain Wall Bending on the Electrical Permittivity of PZT Thin Films
DOI:10.1080/00150193.2010.486254 JN:FERROELECTRICS PY:2011 TC:1 AU: Lente, M. H.;Bacichetti, A. L.;Mendes, R. G.;Eiras, J. A.;
7:1:158:7 Dielectric and ferroelectric properties of Pb0.88La0.12(Ti1-xMnx)(0.97)O-3 nanoceramics
DOI:10.1016/j.materresbull.2013.06.029 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:2 AU: Shukla, Archana;Choudhary, R. N. P.;
7:1:159:1 Synthesis and structural ordering of nano-sized Ba3B ' Nb2O9 (B ' = Ca and Zn) powders
DOI:10.1016/j.ceramint.2013.11.037 JN:CERAMICS INTERNATIONAL PY:2014 TC:2 AU: Figueiredo Soares Rodrigues, Joao Elias;Bezerra, Debora Morais;Maciel, Adeilton Pereira;Paschoal, C. W. A.;
7:1:159:2 Low-temperature preparation of self-polarized Pb(Mg1/3Nb2/3)O-3-PbTiO3 films on well crystallized LaNiO3 electrodes
DOI:10.1016/j.jallcom.2013.06.174 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:3 AU: Zhao, Yuanyuan;Li, Xiaolong;Hu, Guangda;Xu, Jianbin;
7:1:159:3 Thickness effects of Bi0.89Ti0.11FeO3 thin films deposited on PbZr0.2Ti0.79Nb0.01O3 buffer layers
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7:1:159:4 Synthesis and electrical characterization of Ba(Cd1/3Nb2/3)O-3 ferroelectric compound
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7:1:159:5 Dielectric tunability properties of the Pb[( Mg1/3Nb2/3)(1-x)Zr-x]O-3 ceramics
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7:1:159:6 The influence of defects on ferroelectric and pyroelectric properties of Pb(Mg1/3Nb2/3)O-3-0.28PbTiO(3) single crystals
DOI:10.1016/j.matchemphys.2011.10.055 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:4 AU: Wu, Xiao;Liu, Linhua;Li, Xiaobing;Zhao, Xiangyong;Lin, Di;Luo, Haosu;Huang, Yanlin;
7:1:159:7 Phase evolution, dielectric and impedance spectroscopic study of SrNb2O6 columbite phase
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7:1:159:8 Microwave dielectric properties of multi-ions Ba(Zn,Ta)O-3-based perovskite ceramics
DOI:10.1016/j.ceramint.2011.08.040 JN:CERAMICS INTERNATIONAL PY:2012 TC:5 AU: Wang, Sea-Fue;Wang, Yuh-Ruey;Liu, Chung-Yu;Hsieh, Wen-Shuo;
7:1:159:9 Synthesis for fine perovskite-type materials using precursor prepared by metal nitrates solution mixed with organic solvent
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7:1:160:1 Effect of Sintering Temperature on Microstructure and Electric Properties of 0.95(K0.5Na0.5)NbO3-0.05Li(Nb0.5Sb0.5)O(3)with Copper Oxide Sintering Aid
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7:1:160:2 Effects of sintering temperature and poling process on Li-0.058(Na0.51K0.49)(0.942)NbO3 piezoceramics
DOI:10.1016/j.materresbull.2013.09.038 JN:MATERIALS RESEARCH BULLETIN PY:2014 TC:1 AU: Zhao, Yongjie;Huang, Rongxia;Liu, Rongzheng;Zhou, Heping;Zhao, Wei;
7:1:160:3 The effect of sintering and poling processing on the phase structure of Li-0.058(Na0.51K0.49)(0.942)NbO3 lead-free ceramics
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7:1:160:4 The correlation between the microstructure and macroscopic properties of (K,Na,Li)(Nb,Ta)O-3 ceramic via rare earth oxide doping
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7:1:160:5 Grain size control of lead-free Li-0.06(Na0.5K0.5)(0.94)NbO3 piezoelectric ceramics by Ba and Ti doping
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7:1:160:6 Enhanced piezoelectric properties of Fe2O3-2TiO(2) codoped Li-0.05(Na0.5K0.5)(0.95)(Nb0.975Sb0.025)O-3 lead-free ceramics with uniform microstructure
DOI:10.1016/j.matchemphys.2011.09.070 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:1 AU: Zhao, Yongjie;Zhao, Yuzhen;Huang, Rongxia;Liu, Rongzheng;Zhou, Heping;
7:1:160:7 Poling field dependence of ferroelectric domains in tetragonal KKNLN ceramics
DOI:10.1016/j.ceramint.2012.04.053 JN:CERAMICS INTERNATIONAL PY:2012 TC:6 AU: Zhao, Yongjie;Zhao, Yuzhen;Huang, Rongxia;Liu, Rongzheng;Zhou, Heping;
7:1:160:8 Microstructure and Electrical Properties of Low-temperature Sintered K0.48Na0.52NbO3 Piezoelectric Ceramics
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7:1:160:9 Dielectric and Piezoelectric Properties of (K0.5Na0.5)(Nb0.96Sb0.04)O-3 Ceramics Doped with La2O3
DOI:10.1080/00150193.2011.639230 JN:FERROELECTRICS PY:2011 TC:6 AU: Yoo, Juhyun;Seo, Byeongho;
7:1:161:1 General equivalent circuit derived from capacitance and impedance measurements performed on epitaxial ferroelectric thin films
DOI:10.1063/1.4891255 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Pintilie, L.;Hrib, L.;Pasuk, I.;Ghica, C.;Iuga, A.;Pintilie, I.;
7:1:161:2 Structural, electric and magnetic properties of Pb(Zr0.2Ti0.8)O-3-CoFe2O4 heterostructures
DOI:10.1016/j.tsf.2013.06.033 JN:THIN SOLID FILMS PY:2013 TC:3 AU: Chirila, C.;Ibanescu, G.;Hrib, L.;Negrea, R.;Pasuk, I.;Kuncser, V.;Pintilie, I.;Pintilie, L.;
7:1:161:3 Dielectric tunability transition in Ba0.6Sr0.4TiO3-based capacitors
DOI:10.1063/1.3641980 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Qiu, Jie;Liu, Guozhen;Sakai, Joe;Gervais, Francois;Wolfman, Jerome;
7:1:161:4 Impedance characterization of AlGaN/GaN Schottky diodes with metal contacts
DOI:10.1063/1.4801643 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Donahue, M.;Luebbers, B.;Kittler, M.;Mai, P.;Schober, A.;
7:1:161:5 Barrier layer and grain boundary effects in Nd/Zr doped BaTiO3 ceramics
DOI:10.1016/j.mseb.2010.12.009 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2011 TC:3 AU: Tennakone, H.;Park, E.;Tennakone, K.;Buchanan, R. C.;
7:1:161:6 Pentacene Schottky diodes studied by impedance spectroscopy: Doping properties and trap response
DOI:10.1103/PhysRevB.88.195205 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:1:161:7 Electrical Impedance Characterization of Bi Doped BaTiO3 Prepared through Chemical Route
DOI:10.1080/10584587.2010.489414 JN:INTEGRATED FERROELECTRICS PY:2010 TC:1 AU: Sreenu, K.;Kumar, G. S.;Prasad, N. V.;Vithal, M.;Prasad, G.;
7:1:161:8 Doping concentration and thickness effects in ferroelectric thin films
DOI:10.1063/1.3364136 JN:APPLIED PHYSICS LETTERS PY:2010 TC:2 AU: Zhang, J.;Tang, M. H.;He, J.;
7:1:161:9 Comparison of structural and electric properties of PbZr0.2Ti0.8O3 and CoFe2O4/PbZr0.2Ti0.8O3 films on (100) LaAlO3
DOI:10.1063/1.3642977 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Zhang, X. D.;Dho, Joonghoe;Park, Sungmin;Kwon, Hyosang;Hwang, Jihwan;Park, Gwangseo;Kwon, Daeyoung;Kim, Bongju;Jin, Yeryeong;Kim, Bog G.;Karpinsky, D.;Kholkin, A. L.;
7:1:162:1 In situ neutron diffraction studies of a commercial, soft lead zirconate titanate ceramic: response to electric fields and mechanical stress
DOI:10.1007/s00339-010-5605-4 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:16 AU: Pramanick, Abhijit;Prewitt, Anderson D.;Cottrell, Michelle A.;Lee, Wayne;Studer, Andrew J.;An, Ke;Hubbard, Camden R.;Jones, Jacob L.;
7:1:162:2 Effect of Uniaxial Compressive Stress on Dielectric and Piezoelectric Responses in Lead Zirconate Titanate Based Ceramics
DOI:10.1111/j.1551-2916.2011.05048.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:4 AU: Ochoa, Diego A.;Garcia, Jose E.;Tamayo, Idalberto;Gomis, Vicenc;Damjanovic, Dragan;Perez, Rafel;
7:1:162:3 Evidence of temperature dependent domain wall dynamics in hard lead zirconate titanate piezoceramics
DOI:10.1063/1.4736582 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:9 AU: Garcia, J. E.;Ochoa, D. A.;Gomis, V.;Eiras, J. A.;Perez, R.;
7:1:162:4 Preisach modelling of nonlinear response in electrically biased lead zirconate titanate-based piezoceramics
DOI:10.1007/s00339-012-7492-3 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:1 AU: Ochoa, Diego A.;Perez, Rafel;Garcia, Jose E.;
7:1:162:5 Quantitative comparison between the degree of domain orientation and nonlinear properties of a PZT ceramic during electrical and mechanical loading
DOI:10.1557/jmr.2011.40 JN:JOURNAL OF MATERIALS RESEARCH PY:2011 TC:7 AU: Marsilius, Mie;Granzow, Torsten;Jones, Jacob L.;
7:1:162:6 Poling induced dielectric anomalies in a PZT ceramic
DOI:10.1016/j.ceramint.2013.04.090 JN:CERAMICS INTERNATIONAL PY:2013 TC:2 AU: Chen, Libing;Liang, Ruihong;Wang, Genshui;Nie, Hengchang;Zhou, Zhiyong;Cao, Fei;Dong, Xianlin;
7:1:163:1 Study of microstructure and electrical properties of BaNbxFexTi1-2xO3 (0 < x <= 0.1) negative temperature coefficient materials
DOI:10.1016/j.matlet.2012.11.052 JN:MATERIALS LETTERS PY:2013 TC:1 AU: Luo, Ying;Li, Xvqiong;Liu, Xinyu;Yuan, Changlai;
7:1:163:2 Role of oxygen vacancies on relaxation and conduction behavior of KNbO(3) ceramic
DOI:10.1063/1.3309745 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:16 AU: Singh, Gurvinderjit;Tiwari, V. S.;Gupta, P. K.;
7:1:163:3 Phase transition and PTCR effect in erbium doped BT ceramics
DOI:10.1016/j.mseb.2012.03.048 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2012 TC:1 AU: Leyet, Y.;Pena, R.;Zulueta, Y.;Guerrero, F.;Anglada-Rivera, J.;Romaguera, Y.;Perez de la Cruz, J.;
7:1:163:4 Influence of A-site deficiency on oxygen-vacancy-related dielectric relaxation, electrical and temperature stability properties of CuO-doped NKN-based piezoelectric ceramics
DOI:10.1016/j.ceramint.2012.10.055 JN:CERAMICS INTERNATIONAL PY:2013 TC:0 AU: Tsai, Cheng-Che;Chu, Sheng-Yuan;Hong, Cheng-Shong;Yang, Song-Ling;
7:1:163:5 Anomaly in the conductivity relaxation parameters at the phase transition of ferroelectric materials: A time domain study
DOI:10.1063/1.3505932 JN:APPLIED PHYSICS LETTERS PY:2010 TC:1 AU: Leyet, Y.;Guerrero, F.;Amorin, H.;Guerra, J. de Los S.;Eiras, J. A.;
7:1:163:6 Bulk response and grain boundary microelectrical activity of high T-C BaTiO3-(Bi1/2K1/2)TiO3-based positive temperature coefficient of resistance ceramics
DOI:10.1557/jmr.2013.282 JN:JOURNAL OF MATERIALS RESEARCH PY:2013 TC:1 AU: Zubair, Mohammad A.;Takeda, Hiroaki;Leach, Colin;Freer, Robert;Hoshina, Takuya;Tsurumi, Takaaki;
7:1:163:7 Effect of commercial anatase-TiO2 raw materials on the electrical characteristics of ceramics with positive temperature coefficient of resistivity
DOI:10.1016/j.jeurceramsoc.2011.05.028 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2011 TC:8 AU: Kirstein, K.;Reichmann, K.;Preis, W.;Mitsche, S.;
7:1:163:8 Crystal phases and electric properties of (Na0.5K0.5)(1-x)Nb1+x/5O3:yCuO, zLiSbO(3) piezoceramics
DOI:10.1016/j.ceramint.2011.04.116 JN:CERAMICS INTERNATIONAL PY:2012 TC:1 AU: Moon, S. H.;Han, S. H.;Kang, H. W.;Lee, H-G.;Chae, K. W.;Kim, J. S.;Cheon, C. I.;
7:1:163:9 Microstructural and electrical property evolution in an acceptor-dopant free positive temperature coefficient thermistor
DOI:10.1016/j.mssp.2011.08.003 JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING PY:2012 TC:2 AU: Leach, C.;Zubair, M. A.;
7:1:163:10 A Rapid-Doping Method for High-Throughput Discovery Applied to Thick-Film PTCR Materials
DOI:10.1111/j.1551-2916.2011.04667.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:2 AU: Chen, Yulong;Evans, Julian R. G.;Yang, Shoufeng;
7:1:163:11 Oxidation state of chromium in (Na0.5Bi0.5TiO3)((1-x))(BiCrO3)(x) solid solution; investigated by XAS and impedance spectroscopy
DOI:10.1007/s10853-011-5999-1 JN:JOURNAL OF MATERIALS SCIENCE PY:2012 TC:0 AU: Selvamani, Rachna;Singh, Gurvinderjit;Sinha, A. K.;Tiwari, V. S.;
7:1:163:12 The effect of SiO2 addition on the development of low-Sigma grain boundaries in PTC thermistors
DOI:10.1016/j.jeurceramsoc.2009.07.026 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:9 AU: Zubair, M. A.;Leach, C.;
7:1:164:1 Electromechanical and electrical properties of Bi0.5Na0.5Ti1-xMnxO3-delta ceramics with high remnant polarization
DOI:10.1016/j.jallcom.2014.04.038 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:3 AU: Guo, Yuchen;Fan, Huiqing;Long, Changbai;Shi, Jing;Yang, Lu;Lei, Shenhui;
7:1:164:2 Effect of Li0.12Na0.88NbO3 content on the electrical properties of Bi0.50Na0.50TiO3 lead-free piezoelectric ceramics
DOI:10.1016/j.jallcom.2012.01.014 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:4 AU: Chen, Tao;Zhang, Ting;Wang, Guangchang;Zhou, Jifang;Zhang, Jianwei;Liu, Yuhong;
7:1:164:3 Effects of NaTaO3 additions on structure and electrical properties of K0.5Na0.5NbO3-Bi0.5Na0.5TiO3-LiSbO3 piezoelectric ceramics
DOI:10.1016/j.ceramint.2011.02.008 JN:CERAMICS INTERNATIONAL PY:2011 TC:4 AU: Liu, Yixiong;Huang, Yanqiu;Li, Huilin;Du, Haiwei;Tang, Hongping;Zhang, Guoxi;
7:1:164:4 The Crystalline Structure and Phase-Transitional Behavior of (Li0.12Na0.88)(Nb1-x%Sbx%)O-3 Lead-Free Piezoelectric Ceramics with High Q(m)
DOI:10.1111/j.1551-2916.2010.03813.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:8 AU: Chen, Qiang;Peng, Zhihang;Liu, Hong;Xiao, Dingquan;Zhu, Jiliang;Zhu, Jianguo;
7:1:165:1 Improved high Q value of (1-x)Ca(Mg1/3Ta2/3)O-3-xCa(0.8)Sm(0.4/3)TiO(3) solid solution with zero temperature coefficient of resonant frequency
DOI:10.1016/j.jallcom.2009.11.061 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:14 AU: Chen, Jhih-Yong;Tseng, Yu-Wei;Huang, Cheng-Liang;
7:1:165:2 Rapid synthesis of quasi-spherical (Ba,Sr)TiO3 nanocrystals via a microwave-activated glycothermal approach
DOI:10.1039/c0jm02689a JN:JOURNAL OF MATERIALS CHEMISTRY PY:2011 TC:6 AU: Yang Xiaowei;Zeng Yanwei;Mo Leiqing;Han Longxiang;
7:1:165:3 BiFeO3 Thin Films Deposited on LaNiO3-Buffered SiO2/Si Substrate
DOI:10.1111/j.1551-2916.2009.03579.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:8 AU: Wu, Jiagang;Wang, John;
7:1:165:4 Oleic acid assisted glycothermal synthesis of cuboidal Ba0.6Sr0.4TiO3 nanocrystals and their ordered architectures via self-assembly
DOI:10.1016/j.jcis.2011.02.015 JN:JOURNAL OF COLLOID AND INTERFACE SCIENCE PY:2011 TC:4 AU: Yang Xiaowei;Zeng Yanwei;Mo Leiqing;Han Longxiang;
7:1:165:5 Preparation of Spherical Bi3.25La0.75Ti3O12 Nanocrystals by a Sol-Gel Inverse Mini-Emulsion Approach
DOI:10.1007/s13391-013-3064-8 JN:ELECTRONIC MATERIALS LETTERS PY:2014 TC:2 AU: Han Longxiang;Zheng Lingjing;Hu Zhenxing;Yin Shilong;Zeng Yanwei;
7:1:165:6 Glycothermal synthesis of heavily Ce-doped YIG nanocrystals and their microstructures and magnetic properties
DOI:10.1039/c2tc00335j JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2013 TC:2 AU: Ji Rongjin;Yin Wenhui;Fang Caixiang;Zeng Yanwei;
7:1:165:7 The crystalline orientation and ferroelectric properties of Bi3.25La0.75Ti3O12 thin films mediated by the intermediate layer of LaNiO3
DOI:10.1016/j.apsusc.2010.12.014 JN:APPLIED SURFACE SCIENCE PY:2011 TC:3 AU: Wang, J. B.;Li, P. J.;Zhong, X. L.;
7:1:166:1 Sintering, microstructure and piezoelectric properties of CuO and SnO2 co-modified sodium potassium niobate ceramics
DOI:10.1016/j.materresbull.2009.09.033 JN:MATERIALS RESEARCH BULLETIN PY:2010 TC:18 AU: Su, Shi;Zuo, Ruzhong;Wang, Xiaohui;Li, Longtu;
7:1:166:2 Sintering behavior and electrical properties of the (Li, Ta, Sb) modified (K, Na)NbO3 lead-free ceramics with KNbO3 as sintering aid
DOI:10.1016/j.matlet.2011.09.069 JN:MATERIALS LETTERS PY:2012 TC:10 AU: Wang, Hong-Qiang;Zhang, Xiao-Wen;Dai, Ye-Jing;
7:1:166:3 Microstructures and electrical properties of KNbO3 doped (Li,Ta,Sb) modified (K,Na)NbO3 lead-free ceramics by two-step sintering
DOI:10.1016/j.matlet.2012.08.061 JN:MATERIALS LETTERS PY:2012 TC:6 AU: Li, Yang;Dai, Ye-Jing;Wang, Hong-Qiang;Sun, Tao;Xu, Wei;Zhang, Xiao-Wen;
7:1:166:4 Investigation of nano particle additives on lithium doped KNN lead free piezoelectric ceramics
DOI:10.1016/j.ceramint.2011.05.044 JN:CERAMICS INTERNATIONAL PY:2011 TC:8 AU: Saeri, M. R.;Barzegar, A.;Moghadam, H. Ahmadi;
7:1:166:5 Phase transition behavior and electrical properties of (1-x)Bi0.5Na0.5TiO3-x(Na0.53K0.44Li0.04)(Nb0.88Sb0.08Ta0.04)O-3 lead-free ceramics
DOI:10.1016/j.jeurceramsoc.2012.01.008 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:1 AU: Wang, Hong-Qiang;Dai, Ye-Jing;Shen, Zhu-Rui;Zhang, Xiao-Wen;
7:1:166:6 Dielectric and Piezoelectric Properties of Modified (Na,K)NbO3, Ceramics Substituted with KNbO3
DOI:10.1080/00150193.2013.822776 JN:FERROELECTRICS PY:2013 TC:0 AU: Byeon, Sun-Min;Yoo, Ju-Hyun;
7:1:166:7 Microstructure and Piezoelectric Properties of (K(0.5)Na(0.5))NbO(3)-BaTiO(3) Lead-Free Piezoelectric Ceramics Modified by B(2)O(3)-CuO
DOI:10.1111/j.1551-2916.2010.03932.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:9 AU: Yan, Kang;Matsumoto, Kohei;Karaki, Tomoaki;Adachi, Masatoshi;
7:1:167:1 Tuning of dielectric properties and magnetism of SrTiO3 by site-specific doping of Mn
DOI:10.1103/PhysRevB.84.125124 JN:PHYSICAL REVIEW B PY:2011 TC:15 AU: Choudhury, D.;Mukherjee, S.;Mandal, P.;Sundaresan, A.;Waghmare, U. V.;Bhattacharjee, S.;Mathieu, R.;Lazor, P.;Eriksson, O.;Sanyal, B.;Nordblad, P.;Sharma, A.;Bhat, S. V.;Karis, O.;Sarma, D. D.;
7:1:167:2 Polar clusters in impurity-doped quantum paraelectric K1-xLixTaO(3)
DOI:10.1103/PhysRevB.81.144112 JN:PHYSICAL REVIEW B PY:2010 TC:6 AU: Geneste, Gregory;Kiat, Jean-Michel;Yokota, Hiroko;Uesu, Yoshiaki;Porcher, Florence;
7:1:167:3 First-principles free energies and Ginzburg-Landau theory of domains and ferroelectric phase transitions in BaTiO3
DOI:10.1103/PhysRevB.82.054117 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Kumar, Anil;Waghmare, Umesh V.;
7:1:167:4 Dielectric relaxation in Li-doped KTaO3 studied by kinetic Monte Carlo
DOI:10.1103/PhysRevB.83.184202 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Geneste, Gregory;Kiat, Jean-Michel;Yokota, Hiroko;Uesu, Yoshiaki;
7:1:167:5 Ferrimagnetic transition in the compound Sr0.9La0.1Ti0.9Co0.1O3
DOI:10.1063/1.4790153 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Yang, J.;Shao, D. F.;Zhu, X. B.;Yang, Z. R.;Sun, Y. P.;Lee, Y. P.;
7:1:167:6 Surface structure of lithium-doped potassium tantalate using helium atom scattering
DOI:10.1103/PhysRevB.87.085419 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Fatema, Rifat;Van Winkle, David H.;Skofronick, J. G.;Safron, Sanford A.;Flaherty, F. A.;Boatner, L. A.;
7:1:167:7 Study on alpha-beta quartz phase transition and its effect on dielectric properties
DOI:10.1063/1.4722217 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Xie, Xiaojun;Cheng, Yonghong;Wu, Kai;Xiao, Bing;
7:1:167:8 Helium atom scattering from KTa0.7Nb0.3O3 (001): Anomalous surface reflectivity with varying surface temperature and helium wave vector
DOI:10.1103/PhysRevB.84.144114 JN:PHYSICAL REVIEW B PY:2011 TC:1 AU: Fatema, Rifat;Trelenberg, T. W.;Van Winkle, David H.;Skofronick, J. G.;Safron, S. A.;Flaherty, F. A.;Boatner, L. A.;
7:1:168:1 An optimization-based "phase field" model for polycrystalline ferroelectrics
DOI:10.1063/1.3377899 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Li, F. X.;Zhou, X. L.;Soh, A. K.;
7:1:168:2 Simulations of domain evolution in morphotropic ferroelectric ceramics under electromechanical loading using an optimization-based model
DOI:10.1063/1.3569583 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Zhou, X. L.;Li, F. X.;
7:1:168:3 Domain switching characteristics of lead zirconate titanate piezoelectric ceramics during mechanical compressive loading
DOI:10.1016/j.jeurceramsoc.2010.09.001 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2011 TC:5 AU: Okayasu, Mitsuhiro;Sato, Kazuto;Kusaba, Yoko;
7:1:168:4 Mechanism of crystal-symmetry dependent deformation in ferroelectric ceramics: Experiments versus model
DOI:10.1063/1.4809979 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Li, Y. W.;Zhou, X. L.;Miao, H. C.;Cai, H. R.;Li, F. X.;
7:1:168:5 An optimization-based computational model for domain evolution in polycrystalline ferroelastics
DOI:10.1016/j.actamat.2009.12.006 JN:ACTA MATERIALIA PY:2010 TC:6 AU: Li, F. X.;Soh, A. K.;
7:1:168:6 Simulations of nonlinear deformations in Ni-Ti shape memory alloys under tension/compression using an energy minimization model
DOI:10.1016/j.commatsci.2013.09.007 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2014 TC:0 AU: Zhou, Xilong;Li, Faxin;
7:1:168:7 Large anisotropy of fracture toughness in mechanicafly poled/depoled ferroelectric ceramics
DOI:10.1016/j.scriptamat.2009.11.032 JN:SCRIPTA MATERIALIA PY:2010 TC:4 AU: Li, Y. W.;Li, F. X.;
7:1:168:8 Domain texture dependent fracture behavior in mechanically poled/depoled ferroelectric ceramics
DOI:10.1016/j.ceramint.2013.04.034 JN:CERAMICS INTERNATIONAL PY:2013 TC:2 AU: Li, Yingwei;Sun, Yao;Li, Faxin;
7:1:168:9 Effect of electrical fatigue on the electromechanical behavior and microstructure of strontium modified lead zirconate titanate ceramics
DOI:10.1016/j.mseb.2009.09.030 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2010 TC:3 AU: Dutta, I.;Singh, R. N.;
7:1:169:1 Alumina based ceramics for high-voltage insulation
DOI:10.1016/j.jeurceramsoc.2009.09.025 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:20 AU: Touzin, M.;Goeuriot, D.;Guerret-Piecourt, C.;Juve, D.;Fitting, H-J;
7:1:169:2 Study of discharge after electron irradiation in sapphires and polycrystalline alumina
DOI:10.1063/1.3504856 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:2 AU: Zarbout, K.;Moya, G.;Ahmed, A. Si;Damamme, G.;Kallel, A.;
7:1:169:3 Secondary electron emission and self-consistent charge transport in semi-insulating samples
DOI:10.1063/1.3608151 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Fitting, H. -J.;Touzin, M.;
7:1:169:4 Dependence of secondary electron emission on surface charging in sapphire and polycrystalline alumina: Evaluation of the effective cross sections for recombination and trapping
DOI:10.1016/j.apsusc.2014.01.070 JN:APPLIED SURFACE SCIENCE PY:2014 TC:1 AU: Said, K.;Damamme, G.;Ahmed, A. Si;Moya, G.;Kallel, A.;
7:1:169:5 Time-dependent start-up and decay of secondary electron emission in dielectrics
DOI:10.1063/1.3460284 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:5 AU: Fitting, H. -J.;Touzin, M.;
7:1:169:6 Atmospheric pressure air plasma treated alumina powder for ceramic sintering
DOI:10.1016/j.ceramint.2014.04.124 JN:CERAMICS INTERNATIONAL PY:2014 TC:2 AU: Szalay, Zsolt;Bodisova, Katarina;Palkova, Helena;Svancarek, Peter;Durina, Pavol;Rahel, Jozef;Zahoranova, Anna;Galusek, Dugan;
7:1:169:7 Contribution to the understanding of the relationship between mechanical and dielectric strengths of Alumina
DOI:10.1016/j.jeurceramsoc.2010.07.024 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:8 AU: Malec, David;Bley, Vincent;Talbi, Fatiha;Lalam, Fadila;
7:1:169:8 Dielectric breakdown of alumina single crystals
DOI:10.1016/j.jeurceramsoc.2011.11.013 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:7 AU: Neusel, C.;Jelitto, H.;Schmidt, D.;Janssen, R.;Felten, F.;Schneider, G. A.;
7:1:169:9 Total electron emission yield measurement of insulator by a scanning small detector
DOI:10.1063/1.3647637 JN:APPLIED PHYSICS LETTERS PY:2011 TC:3 AU: Chen, Yu;Kouno, Takanori;Toyoda, Kazuhiro;Cho, Mengu;
7:1:169:10 Dielectric tunable properties of high dielectric breakdown Ba0.5Sr0.5TiO3-Zn2P2O7 composite ceramics
DOI:10.1016/j.ceramint.2011.04.048 JN:CERAMICS INTERNATIONAL PY:2012 TC:2 AU: Zhang, Qiwei;Zhai, Jiwei;Shen, Bo;Yao, Xi;
7:1:169:11 Variation of DC Breakdown Strength with Phase Transition Temperature in (Ba1-xSrx)TiO3 Ceramics
DOI:10.1080/00150193.2013.778185 JN:FERROELECTRICS PY:2013 TC:0 AU: Zheng, Z.;Zhang, Y.;Wang, X.;Zhang, Q.;Baturin, I.;
7:1:169:12 Dielectric Breakdown of Polycrystalline Alumina: A Weakest-Link Failure Analysis
DOI:10.1111/jace.12492 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:3 AU: Block, Benjamin;Kim, Youngjin;Shetty, Dinesh K.;
7:1:170:1 Phase transitions and optical characterization of lead-free piezoelectric (K0.5Na0.5)(0.96)Li-0.04(Nb0.8Ta0.2)O-3 thin films
DOI:10.1016/j.tsf.2013.04.043 JN:THIN SOLID FILMS PY:2013 TC:5 AU: Yao, Y. B.;Chan, H. T.;Mak, C. L.;Wong, K. H.;
7:1:170:2 Local dynamics and structure of pure and Ta substituted (K1-xNax)NbO3 from first principles calculations
DOI:10.1103/PhysRevB.82.014114 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Suewattana, Malliga;Singh, David J.;
7:1:170:3 Lead-free piezoelectric (K0.5Na0.5)NbO3 thin films derived from chemical solution modified with stabilizing agents
DOI:10.1063/1.3488808 JN:APPLIED PHYSICS LETTERS PY:2010 TC:15 AU: Goh, Phoi Chin;Yao, Kui;Chen, Zhong;
7:1:170:4 Effect of Ta content on the phase transition and piezoelectric properties of lead-free (K0.48Na0.48Li0.04)(Nb0.995-xMn0.005Tax)O-3 thin film
DOI:10.1063/1.3680882 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Ahn, Chang Won;Seog, Hae Jin;Ullah, Aman;Lee, Sun Young;Kim, Jin Won;Kim, Sang Su;Park, Moonkyu;No, Kwangsoo;Kim, Ill Won;
7:1:170:5 Effects of stress on the optical properties of epitaxial Nd-doped Sr0.5Ba0.5Nb2O6 films
DOI:10.1063/1.3647516 JN:AIP ADVANCES PY:2011 TC:4 AU: Yao, Y. B.;Liu, W. C.;Mak, C. L.;Wong, K. H.;
7:1:171:1 Electrical conduction and bipolar switching properties in transparent vanadium oxide resistive random access memory (RRAM) devices
DOI:10.1007/s00339-012-7116-y JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:4 AU: Chen, Kai-Huang;Liao, Chin-Hsiung;Tsai, Jen-Hwan;Wu, Sean;
7:1:171:2 Low temperature improvement method on characteristics of Ba(Zr0.1Ti0.9)O-3 thin films deposited on indium tin oxide/glass substrates
DOI:10.1007/s00339-009-5523-5 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:9 AU: Chen, Kai-Huang;Chang, Ting-Chang;Chang, Guan-Chang;Hsu, Yung-En;Chen, Ying-Chung;Xu, Hong-Quan;
7:1:171:3 Electrical and Ferroelectric Properties of the Bi3.9La0.1Ti2.9V0.1O12 (BLTV) Thin Films
DOI:10.1080/10584587.2014.957136 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Chen, Kai-Huang;Cheng, Chien-Min;Wu, Sean;Lin, Jian-Yang;
7:1:171:4 Bipolar resistive switching properties in transparent vanadium oxide resistive random access memory
DOI:10.1016/j.ceramint.2012.10.170 JN:CERAMICS INTERNATIONAL PY:2013 TC:5 AU: Yang, Fann-Wei;Chen, Kai-Huang;Cheng, Chien-Min;Su, Feng-Yi;
7:1:171:5 The influence of lanthanum doping on the physical and electrical properties of BTV ferroelectric thin films
DOI:10.1007/s00339-010-6070-9 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2011 TC:5 AU: Chen, Kai-Huang;Cheng, Chien-Min;Shih, Chia-Chi;Tsai, Jen-Hwan;
7:1:171:6 Solution-based fabrication and electrical properties of CaBi4Ti4O15 thin films
DOI:10.1016/j.ceramint.2011.04.056 JN:CERAMICS INTERNATIONAL PY:2012 TC:5 AU: Cheng, Chien-Min;Chen, Kai-Huang;Tsai, Jen-Hwan;Wu, Chia-Lin;
7:1:171:7 Electrical and Physical Characteristics of Vanadium-Doped Bi4Ti3O12 Ferroelectric Thin Films after Rapid Thermal Annealing
DOI:10.1080/00150193.2012.740302 JN:FERROELECTRICS PY:2012 TC:0 AU: Yang, Fann-Wei;Chen, Kai-Huang;Cheng, Chien-Min;
7:1:172:1 Broadband dielectric response and grain-size effect in K0.5Na0.5NbO3 ceramics
DOI:10.1063/1.3273490 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:23 AU: Buixaderas, E.;Bovtun, V.;Kempa, M.;Savinov, M.;Nuzhnyy, D.;Kadlec, F.;Vanek, P.;Petzelt, J.;Eriksson, M.;Shen, Z.;
7:1:172:2 Dielectric and AC-conductivity studies of Dy2O3 doped (K0.5Na0.5)NbO3 ceramics
DOI:10.1063/1.4892856 JN:AIP ADVANCES PY:2014 TC:4 AU: Peddigari, Mahesh;Thota, Subhash;Pamu, Dobbidi;
7:1:172:3 Relaxor and strain behavior in BaTi1-x(Li2/3Nb2/3)(x)O-3 ceramics
DOI:10.1016/j.ceramint.2012.04.054 JN:CERAMICS INTERNATIONAL PY:2012 TC:1 AU: Xiao, Shi;Deng, Sen;Zhang, Jingji;Zhou, Yilu;Tang, Jiamin;Wang, Yidan;Wang, Lipeng;Qi, Hongfang;Wang, Jiangying;
7:1:172:4 Broadband Dielectric Investigation of Sodium Potassium Niobate Ceramic Doped 8% of Antimony
DOI:10.1080/00150193.2012.675261 JN:FERROELECTRICS PY:2012 TC:1 AU: Bagdzevicius, Sarunas;Banys, Juras;Grigalaitis, Robertas;Sternberg, Andris;Bormanis, Karlis;
7:1:173:1 Energy harvesting using a modified rectangular cymbal transducer based on 0.71Pb(Mg1/3Nb2/3)O-3-0.29PbTiO(3) single crystal
DOI:10.1063/1.3296156 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:12 AU: Ren, Bo;Or, Siu Wing;Zhao, Xiangyong;Luo, Haosu;
7:1:173:2 Cryogenic motion performances of a piezoelectric single crystal micromotor
DOI:10.1063/1.4870947 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:3 AU: Li, Xiaotian;Wu, Yuting;Chen, Zhijiang;Wei, Xiaoyong;Luo, Haosu;Dong, Shuxiang;
7:1:173:3 A single crystal lead magnesium niobate-lead titanate multilayer-stacked cryogenic flextensional actuator
DOI:10.1063/1.4790142 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Xu, Tian-Bing;Tolliver, Laura;Jiang, Xiaoning;Su, Ji;
7:1:173:4 Cryogenic transverse and shear mode properties of (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) single crystal with the optimal crystallographic direction
DOI:10.1016/j.matchemphys.2010.09.067 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:4 AU: Wang, Feifei;Shi, Wangzhou;Or, Siu Wing;Zhao, Xiangyong;Luo, Haosu;
7:1:173:5 Cantilever driving low frequency piezoelectric energy harvester using single crystal material 0.71Pb(Mg1/3Nb2/3)O-3-0.29PbTiO(3)
DOI:10.1063/1.4737170 JN:APPLIED PHYSICS LETTERS PY:2012 TC:5 AU: Xu, Chundong;Ren, Bo;Di, Wenning;Liang, Zhu;Jiao, Jie;Li, Lingying;Li, Long;Zhao, Xiangyong;Luo, Haosu;Wang, Dong;
7:1:173:6 A two degrees-of-freedom piezoelectric single-crystal micromotor
DOI:10.1063/1.4903834 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Chen, Zhijiang;Li, Xiaotian;Liu, Guoxi;Dong, Shuxiang;
7:1:173:7 Nonlinear output properties of cantilever driving low frequency piezoelectric energy harvester
DOI:10.1063/1.4768219 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Xu, Chundong;Ren, Bo;Liang, Zhu;Chen, Jianwei;Zhang, Haiwu;Yue, Qingwen;Xu, Qing;Zhao, Xiangyong;Luo, Haosu;
7:1:173:8 A piezoelectric multilayer-stacked hybrid actuation/transduction system
DOI:10.1063/1.3600057 JN:APPLIED PHYSICS LETTERS PY:2011 TC:3 AU: Xu, Tian-Bing;Jiang, Xiaoning;Su, Ji;
7:1:174:1 Processing and properties of ferroelectric Bi-0.5(Na0.65K0.35)(0.5)TiO3 ceramics under the effect of different sintering temperature
DOI:10.1016/j.scriptamat.2014.06.029 JN:SCRIPTA MATERIALIA PY:2014 TC:3 AU: Bhandari, Sonia;Sinha, Nidhi;Ray, Geeta;Kumar, Binay;
7:1:174:2 Enhancement in dielectric and ferroelectric properties of lead free Bi-0.5(Na0.5K0.5)(0.5)TiO3 ceramics by Sb-doping
DOI:10.1016/j.ceramint.2011.04.013 JN:CERAMICS INTERNATIONAL PY:2011 TC:13 AU: Kumar, Krishan;Singh, B. K.;Gupta, M. K.;Sinha, N.;Kumar, Binay;
7:1:174:3 Environment friendly novel piezoelectric 0.94[Na0.8K0.2NbO3]-0.06LiNbO(3) ternary ceramic for high temperature dielectric and ferroelectric applications
DOI:10.1016/j.matchemphys.2013.08.006 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2013 TC:8 AU: Ray, Geeta;Sinha, Nidhi;Kumar, Binay;
7:1:174:4 Structural, dielectric and ferroelectric properties of SBN ceramics synthesized by microwave reactive sintering technique
DOI:10.1016/j.ceramint.2012.03.034 JN:CERAMICS INTERNATIONAL PY:2012 TC:6 AU: Kumar, S. N.;Kumar, P.;Agrawal, D. K.;
7:1:174:5 Properties of RF magnetron sputtered 0.95 (Na0.5Bi0.5) TiO3-0.05 BaTiO3 thin films
DOI:10.1016/j.ceramint.2011.05.145 JN:CERAMICS INTERNATIONAL PY:2011 TC:4 AU: Lin, Ying-Hsun;Cheng, Ping-Shou;Wu, Chia-Ching;Sun, Tai-Ping;Lin, Jing-Jenn;Yang, Cheng-Fu;
7:1:174:6 Ordered domains in lead free 0.94(Na0.5Bi0.5)TiO3-0.06BaTiO(3) ceramics
DOI:10.1016/j.ceramint.2011.11.035 JN:CERAMICS INTERNATIONAL PY:2012 TC:0 AU: Liu Yunfei;Lu Yinong;Pan Zhigang;
7:1:174:7 Solid Solutions of Lead Metaniobate-Stabilization of the Ferroelectric Polymorph and the Effect on the Lattice Parameters, Dielectric, Ferroelectric, and Piezoelectric Properties
DOI:10.1111/jace.12628 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:2 AU: Sahini, Mtabazi G.;Grande, Tor;Fraygola, Barbara;Biancoli, Alberto;Damjanovic, Dragan;Setter, Nava;
7:1:174:8 Structural Characterization of Orthorhombic and Rhombohedral Lead Meta-Niobate Samples
DOI:10.1080/10584587.2010.503804 JN:INTEGRATED FERROELECTRICS PY:2010 TC:4 AU: Chakraborty, Keka R.;Sahu, Kriti Ranjan;De, Abhijit;De, Udayan;
7:1:175:1 Ferroelectric and structural instability of (Pb,Ca)TiO3 thin films prepared in an oxygen atmosphere and deposited on LSCO thin films which act as a buffer layer
DOI:10.1016/j.ceramint.2013.08.063 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Pontes, D. S. L.;Pontes, F. M.;Pereira-da-Silva, Marcelo A.;Zampieria, M.;Chiquito, A. J.;Pizani, P. S.;Longo, E.;
7:1:175:2 Microstructure and electric properties of (Pb0.8Ca0.2)TiO3 thin films prepared by rf magnetron sputtering with a seed layer
DOI:10.1016/j.matlet.2012.04.044 JN:MATERIALS LETTERS PY:2012 TC:7 AU: Fu, M.;Chi, Q. G.;Wang, X.;Chen, Y.;Lei, Q. Q.;
7:1:175:3 Crystallization behaviors and electric properties of (Pb0.8Ca0.2)TiO3 thin films prepared by a sol-gel route
DOI:10.1016/j.apsusc.2013.02.115 JN:APPLIED SURFACE SCIENCE PY:2013 TC:1 AU: Chi, Q. G.;Zhu, H. F.;Lin, J. Q.;Chen, C. T.;Wang, X.;Chen, Y.;Lei, Q. Q.;
7:1:175:4 Phase compositions and ferroelectric properties of Pb(Zr-0.52,Ti-0.48)O-3 thin films with different highly orientations prepared by a sol-gel route
DOI:10.1016/j.apsusc.2010.03.082 JN:APPLIED SURFACE SCIENCE PY:2010 TC:5 AU: Chi, Q. G.;Li, W. L.;Fei, W. D.;Xu, S. C.;Feng, B.;
7:1:175:5 Fatigue improvement in modified lead zirconate titanate ceramics through employment of La0.8Sr0.2MnO3 buffer layers
DOI:10.1016/j.ceramint.2012.06.012 JN:CERAMICS INTERNATIONAL PY:2013 TC:3 AU: Wen, Baohua;Zhang, Yong;Liu, Xiaolin;Ma, Liang;Wang, Xiangrong;
7:1:175:6 Enhanced ferroelectric properties of La-substituted BiFeO3 thin films on LaSrCoO3/Pt/TiO2/SiO2/Si (100) substrates prepared by the soft chemical method
DOI:10.1016/j.ceramint.2012.01.034 JN:CERAMICS INTERNATIONAL PY:2012 TC:9 AU: Simoes, A. Z.;Ramirez, M. A.;Foschini, C. R.;Moura, F.;Varela, J. A.;Longo, E.;
7:1:175:7 Composition dependent preferential orientation, dielectric and ferroelectric properties of Pb(ZrxTi1 (-) (x) )O-3 thin films derived by sol-gel process
DOI:10.1016/j.matlet.2010.12.022 JN:MATERIALS LETTERS PY:2011 TC:5 AU: Jegatheesan, P.;Yadav, Harish Kumar;Gupta, Vinay;Giridharan, N. V.;
7:1:175:8 Piezoelectric properties and fatigue characteristics of highly (100)-oriented (Pb1-x-yLaxCay)Ti1-x/4O3 thin films
DOI:10.1016/j.matlet.2012.11.110 JN:MATERIALS LETTERS PY:2013 TC:1 AU: Chi, Q. G.;Zhu, H. F.;Lin, J. Q.;Yang, F. Y.;Lei, Q. Q.;
7:1:175:9 The thickness effect of Bi3.25La0.75Ti3O12 buffer layer in PbZr0.58Ti0.42O3/Bi3.25La0.75Ti3O12 (PZT/BLT) multilayered ferroelectric thin films
DOI:10.1016/j.tsf.2011.04.006 JN:THIN SOLID FILMS PY:2011 TC:5 AU: Li, Jianjun;Li, Ping;Zhang, Guojun;Yu, Jun;Wu, Yunyi;Wen, Xinyi;
7:1:176:1 Influence of dc bias electric field on Vogel-Fulcher dynamics in relaxor ferroelectrics
DOI:10.1103/PhysRevB.83.132105 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Bobnar, V.;Erste, A.;Chen, X. -Z.;Jia, C. -L.;Shen, Q. -D.;
7:1:176:2 Contributions of distinctive dynamic processes to dielectric response of a relaxorlike reduced poly(vinylidene fluoride-trifluoroethylene) copolymer
DOI:10.1103/PhysRevB.81.214103 JN:PHYSICAL REVIEW B PY:2010 TC:4 AU: Erste, A.;Filipic, C.;Levstik, A.;Bobnar, V.;Chen, X. -Z.;Jia, C. -L.;Shen, Q. -D.;
7:1:176:3 Nonlinear Magnetoelectric Effect in Magnetically Disordered Relaxor Ferroelectrics
DOI:10.1080/00150193.2010.505861 JN:FERROELECTRICS PY:2010 TC:5 AU: Pirc, R.;Blinc, R.;
7:1:176:4 Impact of the Electric Field on the Freezing Dynamics of Pb(Mg1/3Nb2/3)O-3
DOI:10.1080/00150193.2012.671094 JN:FERROELECTRICS PY:2012 TC:2 AU: Novak, N.;Pirc, R.;Kutnjak, Z.;
7:1:176:5 Structural and dielectric properties of poly(vinylidene fluoride)-based terpolymer/copolymer blends developed on aluminum foil
DOI:10.1063/1.4748181 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Erste, A.;Chen, X-Z;Cheng, Z-X;Shen, Q-D;Bobnar, V.;
7:1:176:6 Dielectric Investigations of Relaxor Reduced Poly(Vinylidene Fluoride-Trifluoroethylene) Copolymer in DC Bias Electric Field
DOI:10.1080/00150193.2012.674443 JN:FERROELECTRICS PY:2012 TC:0 AU: Erste, Andreja;Chen, Xian-Zhong;Jia, Cheng-Liang;Shen, Qun-Dong;Bobnar, Vid;
7:1:176:7 Tailored Ferroelectric Responses and Enhanced Energy Density in PVDF-Based Homopolymer/Terpolymer Blends
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7:1:176:8 Theory of the magnetoeletric effect in a lightly doped high-T-c cuprate
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7:1:177:2 Flexible PVDF-BaTiO3 Nanocomposites as Potential Materials for Pressure Sensors
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7:1:177:3 Structural and electrical properties of lead-free perovskite ceramic: Ba(In1/2Nb1/2)O-3
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7:1:177:4 Dielectric Properties of Modified SrFe0.5Nb0.5O3 Ceramics Prepared by a Solid-State Reaction Technique
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7:1:177:5 Dielectric, modulus and impedance analysis of lead-free ceramics Ba0.8La0.133Ti1-xSnxO3 (x=0.15 and 0.2)
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7:1:177:6 Preparation and dielectric properties of (Sr1-xCax)Fe0.5Nb0.5O3; (x=0.0, 0.1, 0.2) ceramics
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7:1:177:7 Huge Dielectric Properties of CdCu3Ti4O12 with CCTO Structure
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7:1:177:8 Electrical Conduction in 0-3 BaTiO3/PVDF Composites
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7:1:177:9 Electrical Properties of the Perovskite Ba(Pr1/2Ta1/2)O-3 Ceramic
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7:1:177:10 Structural and electrical properties of Ba(Sb1/2Nb1/2)O-3 ceramic
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7:1:177:11 Dielectric Properties in CaCu3Ti4O12 Single Crystal at High Temperatures
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7:1:178:1 Magnetic and magnetostrictive properties in high-pressure synthesized Dy1-xPrxFe1.9(0 <= x <= 1) cubic Laves alloys
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7:1:178:2 Synthesis, magnetic properties and magnetostriction of Pr0.5Nd0.5(Fe1-xCox)(1.9) cubic Laves alloys
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7:1:178:4 Structure, magnetic properties and magnetostriction in NdFe1.9 bulk nanocrystalline alloys
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7:1:178:5 Synthesis and magnetostrictive properties of Pr(Fe1.95B0.05)(1.93) bulk nanocrystalline alloy
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7:1:178:6 Magnetostrictive properties of Tb-x(Pr0.5Nd0.5)(1-x)Fe-1.93 cubic Laves alloys
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7:1:178:7 Magnetostriction in high-pressure synthesized PrxNd1-xFe1.9 (0 <= x <= 1) alloys
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7:1:178:8 Magnetostrictive properties of the heavy-rare-earth-free Sm1-xNdxFe2 compounds
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7:1:178:9 Structure and magnetostriction of Ho1-xPrxFe1.9 alloys
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7:1:179:1 Effect of rare earth ion doping on the structural, microstructural and diffused phase transition characteristics of BaBi2Nb2O9 relaxor ferroelectrics
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7:1:179:2 Effect of oxidizing atmosphere on ferroelectric and piezoelectric response of CaBi2Nb2O9 thin films
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7:1:179:3 Dielectric and ferroelectric properties of SrBi4Ti4O15-Sr2Bi4Ti5O18 composite ceramics
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7:1:179:4 Electrical properties of niobium doped Bi4Ti3O12-SrBi4Ti4O15 intergrowth feffoelectrics
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7:1:179:5 New Ferroelectric Aurivillius Oxides: Incorporation of Sc3+ in Stoichiometric Compositions
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7:1:179:6 Influence of vanadium dopant on relaxor behavior of BaBi2Nb2O9 ceramics
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7:1:179:7 Structure, dielectric and ferroelectric anisotropy of Sr2-xCaxBi4Ti5O18 ceramics
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7:1:179:8 Ferroelectric domain structures of epitaxial CaBi2Nb2O9 thin films on single crystalline Nb doped (100) SrTiO3 substrates
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7:1:179:9 Effects of Dy Substitution for Bi on Phase, Microstructure and Dielectric Properties of Layer-structured Bi4-xDyxTi3O12 Ceramics
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7:1:180:1 High Power Characteristics of Lead-Free Piezoelectric Ceramics
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7:1:180:2 Electromechanical Properties of Acceptor-Doped Lead-Free Piezoelectric Ceramics
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7:1:180:3 Structural and electrical properties of double doped (Fe3+ and Ba2+) PZT electroceramics
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7:1:180:4 High Power Performance of Manganese-Doped BNT-Based Pb-Free Piezoelectric Ceramics
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7:1:180:5 Spin-Hamiltonian parameters and defect structure for the tetragonal Mo5+ center in the reduced BaTiO3:Mo crystal
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7:1:180:6 High Power Piezoelectric Characteristics for Perovskite-Type Lead-Free Ferroelectric Ceramics
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7:1:180:7 Investigations of the optical spectral bands, g factors and local structure for the tetragonal Cr5+ tetrahedral clusters in Cr-doped silica glasses
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7:1:181:1 PZT-Based Piezoelectric MEMS Technology
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7:1:181:2 Pulsed-laser deposited Pb(Zr-0.52,Ti-0.48)O-3-on-silicon resonators with high-stopband rejection using feed-through cancellation
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7:1:181:3 A 4th-order band-pass filter using differential readout of two in-phase actuated contour-mode resonators
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7:1:181:4 High rejection, tunable parallel resonance in micromachined lead zirconate titanate on silicon resonators
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7:1:181:6 Dilatometric behaviour of doped barium titanate ceramic
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7:1:182:1 Structural, microstructural, optical and electrical properties of (Pb,Ba,Sr)TiO3 films growth on conductive LaNiO3-coated LaAO(3)(100) and Pt/Ti/SiO2/Si substrates
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7:1:182:2 Manganese doping effects on interband electronic transitions, lattice vibrations, and dielectric functions of perovskite-type Ba0.4Sr0.6TiO3 ferroelectric ceramics
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7:1:182:3 Optical and electro-optic anisotropy of epitaxial Ba0.7Sr0.3TiO3 thin films
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7:1:182:4 Influence of crystal phase and transparent substrates on electro-optic properties of lead zirconate titanate films
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7:1:182:5 Sr- and Ti-site substitution, lattice dynamics, and octahedral tilt transition relationship in SrTiO3:Mn ceramics
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7:1:182:6 Role of trivalent Sr substituents and Sr vacancies in tetragonal and polar states of SrTiO3
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7:1:182:7 Structural evaluation of sol-gel derived lead strontium titanate diffusion barrier for integration in lead zirconate titanate transducer design
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7:1:182:8 Microstructure and Optical Property in an Irregular Multilayer Comprising Ferroelectric and Paraelectric Materials
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7:1:182:9 Study of compositional change in the interfacial regions between lead strontium titanate/SiO2 and lead zirconate titanate/SiO2 by Auger emission spectroscopy
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7:1:183:1 Morphotropic phase boundary and electrical properties of lead-free (K0.5Bi0.5)TiO3-Bi(Ni0.5Ti0.5)O-3 relaxor ferroelectric ceramics
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7:1:183:2 Elaboration and dielectric study of ferroelectric or relaxor ceramics in the ternary system BaTiO3-NaNbO3-BaSnO3
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7:1:183:3 Dielectric properties of Bi-doped Ba0.8Sr0.2TiO3 ceramic solid solutions
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7:1:183:4 X-ray diffraction, dielectric and Raman spectroscopy studies of Ba1-xNd2x/3(Ti0.9Zr0.1)O-3 ceramics
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7:1:183:5 Structure, dielectric and piezoelectric properties of NaNbO3-Ba-0.6(Bi0.5K0.5)(0.4)TiO3 lead-free ceramics
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7:1:183:6 Raman and dielectric investigation of (Ba0.9-xSrxCa0.1)(Ti0.8Zr0.2)O-3 ferroelectric ceramics
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7:1:183:7 Relaxor ferroelectric behavior of La substituted BPZT ceramics
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7:1:183:8 X-ray diffraction, dielectric, conduction and Raman studies in Na0.925Bi0.075Nb0.925Mn0.075O3 ceramic
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7:1:184:1 Enhancement in dielectric, ferroelectric, and electrostrictive properties of Pb(Mg1/3Nb2/3)(0.9)Ti0.1O3 ceramics by CuO addition
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7:1:184:2 Evidence of macro-micro domain transition in poled PMN-PZT ceramics
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7:1:184:4 Excellent electrostrictive properties of low temperature sintered PZT ceramics with high concentration LiBiO2 sintering aid
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7:1:184:5 Effect of CuO Addition on the Microstructure and Electric Properties of Low-Temperature Sintered 0.25PMN-0.40PT-0.35PZ Ceramics
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7:1:184:6 Effects of sintering temperature on microstructure and electrical properties of 0.9Pb(Mg1/3Nb2/3)O-3-0.1PbTiO(3) modified with CuO
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7:1:184:7 Enhanced dielectric, ferroelectric, and electrostrictive properties of Pb(Mg1/3Nb2/3)(0.9)Ti0.1O3 ceramics by ZnO modification
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7:1:184:8 Effects of CuO nanoparticles addition on properties of PMNT ceramics
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7:1:185:1 Improved leakage property and reduced crystallization temperature by V2O5 seed layer in K0.4Na0.6NbO3 thin films derived from chemical solution deposition
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7:1:185:2 Effect of V doping on phase composition and electrical properties of K0.4Na0.6Nb1-xVxO3 thin films
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7:1:185:3 Dielectric behavior of samarium-doped BaZr0.2Ti0.8O3 ceramics
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7:1:185:4 Synthesis and Ferroelectric Properties of Bi4.5Sr0.5Ti4Fe0.5-xVxO15 Ceramics
DOI:10.1080/00150193.2012.674433 JN:FERROELECTRICS PY:2012 TC:2 AU: Kan, Akinori;Ogawa, Hirotaka;Kawada, Kyoshiro;Moriyama, Tohru;
7:1:185:5 Temperature dependence on the electrical properties of Ba(Ti0.90Zr0.10)O-3:2V ceramics
DOI:10.1016/j.matchemphys.2010.05.058 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2010 TC:6 AU: Moura, F.;Simoes, A. Z.;Paskocimas, C. A.;Zaghete, M. A.;Varela, J. A.;Longo, E.;
7:1:185:6 Effect of Nb2O5 seed layer on electrical properties of alkaline niobate based ferroelectric thin films
DOI:10.1016/j.matlet.2010.12.046 JN:MATERIALS LETTERS PY:2011 TC:4 AU: Li, N.;Li, W. L.;Wang, L. D.;Zhang, S. Q.;Fei, W. D.;
7:1:185:7 Preparation and Ferroelectric Properties of K0.5Na0.5NbO3 Thin Films Derived from Non-alcohol Niobium Salt Sol-gel Process
DOI:10.1080/10584587.2014.904166 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Zhang, Deqing;Zheng, Fangyuan;Yang, Xiuying;Feng, Lianzheng;Huang, Xiaoming;Liu, Hongmei;Cao, Maosheng;
7:1:185:8 Precursor Homogeneity and Crystallization Effects in Chemical Solution Deposition-Derived Alkaline Niobate Thin Films
DOI:10.1111/j.1551-2916.2010.04339.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:2 AU: Roescher, Mark;Tappertzhofen, Stefan;Schneller, Theodor;
7:1:186:1 Piezoelectric anisotropy of a KNbO3 single crystal
DOI:10.1063/1.3511336 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:9 AU: Liang, Linyun;Li, Y. L.;Hu, S. Y.;Chen, Long-Qing;Lu, Guang-Hong;
7:1:186:2 Tetragonal-Orthorhombic Phase Transition in Barium Titanate via Monoclinic M-C Type Symmetry
DOI:10.1080/00150193.2012.707894 JN:FERROELECTRICS PY:2012 TC:8 AU: Eisenschmidt, Ch.;Langhammer, H. T.;Steinhausen, R.;Schmidt, G.;
7:1:186:3 Monoclinic phases arising across thermal inter-ferroelectric phase transitions
DOI:10.1103/PhysRevB.90.024104 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Gu, Yijia;Xue, Fei;Lei, Shiming;Lummen, Tom T. A.;Wang, Jianjun;Gopalan, Venkatraman;Chen, Long-Qing;
7:1:186:4 Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates
DOI:10.1063/1.4838115 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Machado, R.;Sepliarsky, M.;Stachiotti, M. G.;
7:1:186:5 Ferroelectric to Relaxor Crossover in Perovskite-type Systems
DOI:10.1080/00150193.2014.874856 JN:FERROELECTRICS PY:2014 TC:1 AU: Zenkner, Mandy;Straube, Ulrich;Schmidt, Guenther;
7:1:186:6 Off-center impurities in a robust ferroelectric material: Case of Li in KNbO3
DOI:10.1103/PhysRevB.86.094118 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Machado, R.;Sepliarsky, M.;Stachiotti, M. G.;
7:1:186:7 Pressure and electric field effects on piezoelectric responses of KNbO3
DOI:10.1063/1.4752418 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Liang, Linyun;Li, Y. L.;Xue, Fei;Chen, Long-Qing;
7:1:186:8 Formation of monoclinic nanodomains at the morphotropic phase boundary of ferroelectric systems
DOI:10.1103/PhysRevB.88.214105 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:1:187:1 Ultra high strain properties of lanthanum substituted PZT electro-ceramics prepared via mechanical activation
DOI:10.1016/j.jallcom.2014.02.037 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:5 AU: Kumar, Ajeet;Prasad, V. V. Bhanu;Raju, K. C. James;James, A. R.;
7:1:187:2 The effect of temperature on the large field electromechanical response of relaxor ferroelectric 8/65/35 PLZT
DOI:10.1016/j.actamat.2011.01.009 JN:ACTA MATERIALIA PY:2011 TC:13 AU: Rauls, Michael B.;Dong, Wen;Huber, John E.;Lynch, Christopher S.;
7:1:187:3 Influence of lanthanum doping on the morphotropic phase boundary of lead zirconate titanate
DOI:10.1063/1.3437399 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:13 AU: Hinterstein, Manuel;Schoenau, Kristin A.;Kling, Jens;Fuess, Hartmut;Knapp, Michael;Kung, Hans;Hoffmann, Michael J.;
7:1:187:4 Chemical synthesis, structural, thermo-physical and electrical property characterization of PLZT ceramics
DOI:10.1016/j.jallcom.2010.02.132 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:6 AU: James, A. R.;Kumar, Rajesh;PremKumar, M.;Srinivas, K.;Radha, V.;Vithal, M.;Vijayakumar, M.;
7:1:187:5 Electrical creep around a circular hole in PLZT 8/65/35
DOI:10.1016/j.jeurceramsoc.2011.08.008 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:2 AU: Liu, Q. D.;Huber, J. E.;
7:1:187:6 Mechanically activated PLZT ceramics: Structural and electrical properties
DOI:10.1016/j.materresbull.2012.07.004 JN:MATERIALS RESEARCH BULLETIN PY:2012 TC:2 AU: James, A. R.;Praveen, J. Paul;Premkumar, M.;Prasad, V. V. Bhanu;
7:1:187:7 Giant piezoelectricity in PMN-PT thin films: Beyond PZT
DOI:10.1557/mrs.2012.266 JN:MRS BULLETIN PY:2012 TC:5 AU: Baek, Seung-Hyub;Rzchowski, Mark S.;Aksyuk, Vladimir A.;
7:1:188:1 Structure analysis of bismuth sodium titanate-based A-site relaxor ferroelectrics by electron diffraction
DOI:10.1016/j.jeurceramsoc.2013.03.020 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:5 AU: Cheng, Shun-Yu;Shieh, Jay;Lu, Hong-Yang;Shen, Chang-Yi;Tang, Yao-Chieh;Ho, New-Jin;
7:1:188:2 (K, Na)NbO3-based lead-free piezoelectric ceramics manufactured by two-step sintering
DOI:10.1016/j.ceramint.2011.11.022 JN:CERAMICS INTERNATIONAL PY:2012 TC:13 AU: Pang, Xuming;Qiu, Jinhao;Zhu, Kongjun;Du, Jianzhou;
7:1:188:3 Dielectric and Ferroelectric Properties of Ba(Ti0.82Sn0.18)O-3 Ceramics Prepared by Two-Steps Sintering
DOI:10.1080/00150193.2013.848768 JN:FERROELECTRICS PY:2013 TC:0 AU: Kruea-In, Chatchai;Bakethaisong, Suchawadee;Rujijanagul, Gobwute;
7:1:188:4 Polar Nanoregions and Dielectric Properties of BaTiO3-Based Y5V Multilayer Ceramic Capacitors
DOI:10.1111/jace.12896 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:2 AU: Hong, Jian-Yu;Lu, Hong-Yang;
7:1:188:5 Crystal Symmetry of BaTiO3 Grains in X7R Multilayer Ceramic Capacitors
DOI:10.1111/j.1551-2916.2010.04232.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:6 AU: Lee, Hwan-Wen;Chu, Mike S. H.;Lu, Hong-Yang;
7:1:188:6 Structural Disorder, Polarisation and the Normal to Relaxor Ferroelectric Transition in BaTiO3 Based Perovskites
DOI:10.1080/00150191003697039 JN:FERROELECTRICS PY:2010 TC:4 AU: Liu, Y.;Withers, R. L.;
7:1:188:7 Phase-transformation-induced microstructure in lead-free ferroelectric ceramics based on (Bi0.5Na0.5)TiO3-BaTiO3-(Bi0.5K0.5)TiO3
DOI:10.1080/14786435.2011.600735 JN:PHILOSOPHICAL MAGAZINE PY:2011 TC:1 AU: Cheng, Shun-Yu;Shieh, Jay;Ho, New-Jin;Lu, Hong-Yang;
7:1:188:8 Study on the sintering mechanism of KNN-based lead-free piezoelectric ceramics
DOI:10.1007/s10853-010-5080-5 JN:JOURNAL OF MATERIALS SCIENCE PY:2011 TC:6 AU: Pang, Xuming;Qiu, Jinhao;Zhu, Kongjun;Luo, Jun;
7:1:189:1 A simple method to synthesize Ba0.6Sr0.4TiO3 nano-powders through high-energy ball-milling
DOI:10.1016/j.powtec.2011.05.010 JN:POWDER TECHNOLOGY PY:2011 TC:8 AU: Liu, Cheng;Liu, Peng;Lu, Xiao-gang;Gao, Chang-jie;Zhu, Gang-qiang;Chen, Xiao-ming;
7:1:189:2 High-porosity Ba1-xSrxTiO3 ceramics from particle-stabilized emulsions
DOI:10.1016/j.ceramint.2014.02.126 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Wang, Xiang;Li, Jin-hong;Zhang, Hong-yao;Guan, Wei-min;
7:1:189:3 Structure and dielectric behavior of nano-structure ferroelectric BaxSr1-xTiO3 prepared by sol-gel method
DOI:10.1016/j.jallcom.2010.05.060 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:10 AU: Mahani, R. M.;Battisha, I. K.;Aly, M.;Abou-Hamad, A. B.;
7:1:189:4 A novel method for preparation of barium strontium titanate nanopowders
DOI:10.1016/j.matlet.2010.02.034 JN:MATERIALS LETTERS PY:2010 TC:9 AU: Zuo, X. H.;Deng, X. Y.;Chen, Y.;Ruan, M.;Li, W.;Liu, B.;Qu, Y.;Xu, B.;
7:1:189:5 Dielectric evaluation of electrically tunable Ba0.6Sr0.4TiO3 thick films prepared by screen printing
DOI:10.1016/j.ceramint.2011.12.060 JN:CERAMICS INTERNATIONAL PY:2012 TC:6 AU: Zhang, Xiao-Fei;Xu, Qing;Zhan, Di;Liu, Han-Xing;Chen, Wen;Huang, Duan-Ping;
7:1:189:6 Low-temperature synthesis of superfine barium strontium titanate powder by the citrate method
DOI:10.1016/j.ceramint.2010.02.004 JN:CERAMICS INTERNATIONAL PY:2010 TC:5 AU: Zhang, Xiao-Fei;Xu, Qing;Huang, Yu-Heng;Liu, Han-Xing;Huang, Duan-Ping;Zhang, Feng;
7:1:189:7 Synthesis and Characterization of Thermochromic La0.75Ca0.25MnO3 Perovskite Manganites Nano-powders by Microwave-assisted Solution Combustion Synthesis
DOI:10.1080/10584587.2014.874821 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Kahatta, Sagulthai;Techitdheera, Wicharn;Chaiyo, Nopsiri;Pecharapa, Wisanu;Vittayakorn, Naratip;
7:1:190:1 Microstructural and optical investigations of Ce-doped barium titanate thin films by FTIR and spectroscopic ellipsometry
DOI:10.1080/14786435.2011.642320 JN:PHILOSOPHICAL MAGAZINE PY:2012 TC:3 AU: Mohamed, S. H.;Dughaish, Z. H.;
7:1:190:2 Control of ferroelectric phase transition in nano particulate NBT-BT based ceramics
DOI:10.1016/j.mseb.2012.12.001 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2013 TC:6 AU: Devi, Ch. Sameera;Kumar, G. S.;Prasad, G.;
7:1:190:3 Hollow and hollow core/shell CeO2/SiO2@CeO2 spheres: Synthesis, structure evolution and catalytic properties
DOI:10.1016/j.jallcom.2013.10.080 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:3 AU: Sun, Yixin;Zhang, Lixin;Wang, Yongbin;Chen, Peng;Xin, Shuxiang;Jiu, Hongfang;Liu, Jianwei;
7:1:190:4 Influence of the Nd3+ ions content on the FTIR and the visible up-conversion luminescence properties of nano-structure BaTiO3, prepared by sol-gel technique
DOI:10.1016/j.jallcom.2009.09.021 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:12 AU: Darwish, A. G. A.;Badr, Y.;El Shaarawy, M.;Shash, N. M. H.;Battisha, I. K.;
7:1:190:5 Synthesis and characterization of spray pyrolyzed nanocrystalline CeO2-SiO2 thin films as passive counter electrodes
DOI:10.1016/j.solmat.2009.12.024 JN:SOLAR ENERGY MATERIALS AND SOLAR CELLS PY:2010 TC:6 AU: Bhosale, A. K.;Shinde, P. S.;Tarwal, N. L.;Kadam, P. M.;Mali, S. S.;Patil, P. S.;
7:1:190:6 Thickness limit of BaTiO3 thin film capacitors grown on SUS substrates using aerosol deposition method
DOI:10.1016/j.tsf.2010.03.159 JN:THIN SOLID FILMS PY:2010 TC:5 AU: Oh, Jong-Min;Nam, Song-Min;
7:1:190:7 Effects of BNT Addition on the Microstructure and PTC Properties of La-Doped BaTiO3-Based PTCR Ceramics
DOI:10.1080/00150191003748972 JN:FERROELECTRICS PY:2010 TC:2 AU: Wei, Jifeng;Pu, Yongping;Mao, Yuqin;Wang, Jinfei;
7:1:191:1:1 In situ monitoring of the effects of hydrogen on Pb(Zr,Ti)O-3 structure
DOI:10.1063/1.3592295 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:11 AU: Shafiei, A.;Oprea, C.;Alfantazi, A.;Troczynski, T.;
7:1:191:1:2 High-pressure hydrogen materials compatibility of piezoelectric films
DOI:10.1063/1.3517445 JN:APPLIED PHYSICS LETTERS PY:2010 TC:4 AU: Alvine, K. J.;Shutthanandan, V.;Bennett, W. D.;Bonham, C. C.;Skorski, D.;Pitman, S. G.;Dahl, M. E.;Henager, C. H., Jr.;
7:1:191:1:3 Hydrogen diffusion in lead zirconate titanate and barium titanate
DOI:10.1063/1.4748283 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Alvine, K. J.;Vijayakumar, M.;Bowden, M. E.;Schemer-Kohrn, A. L.;Pitman, S. G.;
7:1:191:1:4 Pb nanowire formation on Al/lead zirconate titanate surfaces in high-pressure hydrogen
DOI:10.1063/1.4731721 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Alvine, Kyle J.;Shutthanandan, Vaithiyalingam;Arey, Bruce W.;Wang, Chongmin;Bennett, Wendy D.;Pitman, Stan G.;
7:1:191:1:5 Hydrogen species motion in piezoelectrics: A quasi-elastic neutron scattering study
DOI:10.1063/1.3691114 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Alvine, K. J.;Tyagi, M.;Brown, C. M.;Udovic, T. J.;Jenkins, T.;Pitman, S. G.;
7:1:191:2:1 About the defect structure in differently doped PZT ceramics: A temperature dependent positron lifetime study
DOI:10.1016/j.ceramint.2014.01.127 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Drogowska, K.;Elsayed, M.;Krause-Rehberg, R.;Balogh, A. G.;
7:1:191:2:2 Hydrogen content analysis in hydrogen-charged PZT ferroelectric ceramics
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7:1:191:2:3 Investigation of the Effects of High-Pressure Hydrogen on Pb(Zr,Ti)O-3 (PZT) Ceramics
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7:1:191:3:1 Electromechanical response of multilayer piezoelectric actuators for fuel injectors at high temperatures
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7:1:191:3:2 Cryogenic electromechanical behavior of multilayer piezo-actuators for fuel injector applications
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7:1:192:1 Fatigue failure characteristics of lead zirconate titanate piezoelectric ceramics
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7:1:192:2 Mechanically controlled domain structure in PZT piezoelectric ceramics
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7:1:192:3 Harvested power and sensitivity analysis of vibrating shoe-mounted piezoelectric cantilevers
DOI:10.1088/0964-1726/19/11/115011 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:12 AU: Moro, L.;Benasciutti, D.;
7:1:192:4 Material properties of bismuth layered ferroelectrics and lead zirconate titanate piezoelectric ceramics
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7:1:192:5 Structural and electrical properties of 0.56Pb(Ni1/3Nb2/3)O-3-0.10Pb(Zn1/3Nb2/3)O-3-0.34PbTiO(3) ceramics prepared by different ceramic processings
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7:1:192:6 Structural and Electrical Properties of 0.69Pb(Mg1/3Nb2/3)O-3-0.31PbTiO(3) Ceramics Prepared by Partial Oxalate Route Via Different Processings
DOI:10.1080/00150193.2013.814023 JN:FERROELECTRICS PY:2013 TC:2 AU: Qian, Kun;Fang, Bijun;Du, Qingbo;Ding, Jianning;Zhao, Xiangyong;Luo, Haosu;
7:1:192:7 Aging Behavior and Mechanical Properties of 0.69Pb(Mg1/3Nb2/3)O-3-0.31PbTiO(3) Ceramics
DOI:10.1080/00150193.2014.932577 JN:FERROELECTRICS PY:2014 TC:2 AU: Liu, Xing;Fang, Bijun;Chen, Zhihui;Ding, Jianning;Zhao, Xiangyong;Xu, Haiqing;Luo, Haosu;
7:1:192:8 In situ measurement of material properties of lead zirconate titanate piezoelectric ceramics during cyclic mechanical loading
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7:1:193:1 Phase structure, microstructure and piezoelectric properties of perovskite (K0.5Na0.5)(0.95)Li0.05NbO3-Bi-0.5(K0.15Na0.85)(0.5)TiO3 lead-free ceramics
DOI:10.1016/j.jallcom.2009.11.084 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:10 AU: Chen, Lei;Fan, Huiqing;Zhang, Miaohua;Yang, Chao;Chen, Xiuli;
7:1:193:2 Microstructure and piezoelectric properties of Na0.5K0.5NbO3-BiNiO3-LiSbO3 lead-free ceramics
DOI:10.1016/j.jallcom.2010.04.234 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:6 AU: Liu, Chaoying;Liu, Xinyu;Jiang, Minhong;Ma, Jiafeng;
7:1:193:3 Electrical and Physical Properties of Modified Potassium Sodium Niobate Ceramics Prepared by Molten Salt Synthesis
DOI:10.1080/00150193.2013.841510 JN:FERROELECTRICS PY:2013 TC:0 AU: Kruea-In, Chatchai;Monmakhan, Thanyarat;Rujijanagul, Gobwute;
7:1:193:4 Effect of BiFeO3 additions on the dielectric and piezoelectric properties of (K0.44Na0.52Li0.04)(Nb0.84Ta0.1Sb0.06)O-3 ceramics
DOI:10.1016/j.materresbull.2009.09.014 JN:MATERIALS RESEARCH BULLETIN PY:2010 TC:9 AU: Jiang, Minhong;Liu, Xinyu;Liu, Chaoying;
7:1:193:5 Synthesis and Characterization of (K0.5Na0.5)NbO3 Piezoelectric Ceramics Prepared Using K5.70Li4.07Nb10.23O30 as a New Sintering Aid
DOI:10.1080/00150193.2012.707858 JN:FERROELECTRICS PY:2012 TC:1 AU: Pang, Xuming;Qiu, Jinhao;Zhu, Kongjun;Zheng, Hongjuan;
7:1:193:6 Effect of Firing Conditions on Phase Formation, Microstructure and Dielectric Properties of KNN-LS-BN Ceramics Fabricated by Combustion Technique
DOI:10.1080/00150193.2013.842852 JN:FERROELECTRICS PY:2013 TC:0 AU: Panya, Peerapong;Wattanawikkam, Chakkaphan;Chootin, Suphornphun;Bongkarn, Theerachai;
7:1:193:7 Conditions of Morphotropic Phase Boundary in Perovskite-Oxides
DOI:10.1080/00150193.2012.675269 JN:FERROELECTRICS PY:2012 TC:1 AU: Matsushita, Eiko;Sugiyama, Kouichi;
7:1:193:8 Effect of Bi-0.5(Na0.9K0.1)(0.5)TiO3 on Phase Structure and Electrical Properties of (K0.5Na0.5)NbO3 Lead-free Ceramics
DOI:10.1080/00150193.2013.850948 JN:FERROELECTRICS PY:2014 TC:0 AU: Huang, Tao;Xiao, Ding-Quan;Liang, Wen-Feng;Wu, Jia-Gang;Zhu, Jian-Guo;
7:1:194:1 Investigations on electrocaloric properties of ferroelectric Pb(Mg0.067Nb0.133Zr0.8)O-3
DOI:10.1063/1.4801868 JN:APPLIED PHYSICS LETTERS PY:2013 TC:13 AU: Hamad, Mahmoud A.;
7:1:194:2 Detecting giant electrocaloric effect in SrxBa1-xNb2O6 single crystals
DOI:10.1063/1.4718350 JN:APPLIED PHYSICS LETTERS PY:2012 TC:14 AU: Hamad, Mahmoud Aly;
7:1:194:3 Room temperature giant electrocaloric properties of relaxor ferroelectric 0.93PMN-0.07PT thin film
DOI:10.1063/1.4795156 JN:AIP ADVANCES PY:2013 TC:21 AU: Hamad, Mahmoud A.;
7:1:194:4 Calculation of Hysteresis Losses for Ferroelectric Soft Lead Zirconate Titanate Ceramics
DOI:10.1007/s11664-013-2906-3 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2014 TC:0 AU: Hamad, Mahmoud A.;
7:1:194:5 Magnetocaloric effect in polycrystalline Gd1-xCaxBaCo2O5.5
DOI:10.1016/j.matlet.2012.05.088 JN:MATERIALS LETTERS PY:2012 TC:17 AU: Hamad, Mahmoud Aly;
7:1:194:6 Optimal design of nanomagnets for targeted hyperthermia
DOI:10.1016/j.jmmm.2010.11.062 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:6 AU: Mamiya, Hiroaki;Jeyadevan, Balachandran;
7:1:195:1 Preparation of textured K2BiNb5O15 ceramics with rod-like templates by the screen-printing technique
DOI:10.1016/j.jallcom.2011.03.115 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:2 AU: Li, Yali;Hui, Chun;Li, Yongxiang;Wang, Youliang;
7:1:195:2 Nano-sized Ba2NaNb5O15-NaNbO3 co-crystallized glass-ceramics in phosphoniobate system
DOI:10.1063/1.4719034 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Takahashi, Yoshihiro;Fujie, Nobuhiro;Fujiwara, Takumi;
7:1:195:3 Screen Printing to Achieve Highly Textured Bi4Ti3O12
DOI:10.1111/j.1551-2916.2010.03694.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:7 AU: Winter, Michael R.;DiAntonio, Christopher B.;Yang, Pin;Rodriguez, Mark A.;Michael, Joseph R.;Chavez, Tom P.;McKenzie, Bonnie B.;
7:1:195:4 Frequency and Temperature-Independent Electrical Transport Properties of 2BaO-0.5Na(2)O-2.5Nb(2)O(5)-4.5B(2)O(3) Glass-Ceramics
DOI:10.1111/jace.13142 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:0 AU: Kundu, Swarup;Varma, Kalidindi B. R.;
7:1:195:5 Sol-gel synthesis, densification, and electrical properties of CuO-B2O3 doped Ba6-3xR8+2xTi18O54 (R = Nd) microwave dielectric ceramics
DOI:10.1007/s10853-010-5028-9 JN:JOURNAL OF MATERIALS SCIENCE PY:2011 TC:4 AU: Wu, Yang;Zuo, Ruzhong;Zhou, Yuanyuan;Yue, Zhenxing;
7:1:195:6 Crystallization of tungstenbronze-type Ba2NaNb5O15 in high-Nb2O5-content glass: An inelastic light scattering study
DOI:10.1063/1.3512909 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:3 AU: Takahashi, Yoshihiro;Fujie, Nobuhiro;Osada, Minoru;Masai, Hirokazu;Ihara, Rie;Fujiwara, Takumi;
7:1:195:7 Dielectric properties of (100-x)Li2B4O7-x(Ba5Li2Ti2Nb8O30) glasses and glass nanocrystal composites
DOI:10.1016/j.mseb.2010.02.016 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2010 TC:2 AU: Ahamad, M. Niyaz;Varma, K. B. R.;
7:1:195:8 Low-Fire Processing of Microwave BNBT-Based High-k Dielectric with Li2O-ZnO-B2O3 Glass
DOI:10.1111/jace.12602 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:1 AU: Shih, Yi-Ting;Jean, Jau-Ho;
7:1:195:9 Influence of Li-B-Si Additions on the Sintering and Microwave Dielectric Properties of Ba-Nd-Ti Ceramics
DOI:10.1007/s11664-013-2731-8 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2013 TC:5 AU: Li, Enzhu;Duan, Shuxin;Sun, Shumeng;Li, Hao;Mi, Yuean;Zhou, Xiaohua;Zhang, Shuren;
7:1:196:1 Perovskite-Structured BiFeO3-Bi(Zn1/2Ti1/2) O-3-PbTiO3 Solid Solution Piezoelectric Ceramics with Curie Temperature About 700 degrees C
DOI:10.1111/jace.12324 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:7 AU: Hou, Xianbo;Yu, Jian;
7:1:196:2 A Survey on Piezoelectric Ceramics for Generator Applications
DOI:10.1111/j.1551-2916.2010.03702.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:18 AU: Roedig, Thomas;Schoenecker, Andreas;Gerlach, Gerald;
7:1:196:3 Piezoelectric properties of Ca-modified Pb0.6Bi0.4(Ti0.75Zn0.15Fe0.10)O-3 ceramics
DOI:10.1016/j.ceramint.2011.04.085 JN:CERAMICS INTERNATIONAL PY:2012 TC:7 AU: An, Fei-fei;Cao, Fei;Yu, Jian;
7:1:196:4 Electrical Properties of High Curie Point Pb0.6Bi0.4 (Ti0.75Zn0.15Fe0.10)O-3 Ceramics
DOI:10.1111/j.1551-2916.2010.03605.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:9 AU: An, Feifei;Yu, Jian;
7:1:196:5 Preparation and Electrical Properties of Modified Lead Titanate Ceramics
DOI:10.1080/00150193.2010.485914 JN:FERROELECTRICS PY:2010 TC:6 AU: An, Feifei;He, Wenze;Wang, Tingting;Yu, Jian;
7:1:196:6 Effects of Li2CO3 and Sm2O3 additives on low-temperature sintering and piezoelectric properties of PZN-PZT ceramics
DOI:10.1016/j.jeurceramsoc.2013.07.028 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:6 AU: Fan, G. F.;Shi, M. B.;Lu, W. Z.;Wang, Y. Q.;Liang, Fei;
7:1:197:1 Isothermal formation kinetics of nanocrystals in LiNb0.5Ta0.5O3 glass
DOI:10.1016/j.jallcom.2014.07.005 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:1 AU: Baek, C. G.;Choi, H. W.;Yang, Y. S.;
7:1:197:2 Structure, dielectric and optical properties of Nd3+-doped LiTaO3 transparent ferroelectric glass-ceramic nanocomposites
DOI:10.1016/j.jallcom.2009.09.071 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:6 AU: Tarafder, Anal;Annapurna, Kalyandurg;Chaliha, Reenamoni Saikia;Tiwari, Vidya Sagar;Gupta, Pradeep Kumar;Karmakar, Basudeb;
7:1:197:3 On the study of zinc doping in congruent LiTaO3 crystals
DOI:10.1016/j.matchemphys.2012.01.099 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:4 AU: Wu, J. C.;Chen, Z. B.;Choubey, R. K.;Lan, C. W.;
7:1:197:4 Influence of chemical reduction on optical and electrical properties of LiTaO3 crystal
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7:1:197:5 Morphology of potassium sodium niobate based silicate glass system
DOI:10.1007/s13391-013-6020-8 JN:ELECTRONIC MATERIALS LETTERS PY:2013 TC:0 AU: Yongsiri, Ploypailin;Eitssayeam, Sukum;Sirisoonthorn, Somnuk;Pengpat, Kamonpan;
7:1:197:6 Fabrication of Ferroelectric Glass Ceramics from (K0.5Na0.5)NbO3-SiO2-Al2O3 Glass System
DOI:10.1080/00150193.2011.577990 JN:FERROELECTRICS PY:2011 TC:1 AU: Yongsiri, Ploypailin;Eitssayeam, Sukum;Inthata, Uraiwan;Rujijanagul, Gobwute;Sirisoonthorn, Somnuk;Tunkasiri, Tawee;Pengpat, Kamonpan;
7:1:197:7 Growth and property of Zn-doped near-stoichiometric LiTaO3 crystal
DOI:10.1016/j.jcrysgro.2010.03.003 JN:JOURNAL OF CRYSTAL GROWTH PY:2010 TC:2 AU: Zheng, Wei;Wang, Dongpeng;Xu, Yuheng;
7:1:197:8 Growth and photorefractive properties of Mg, Fe co-doped near-stoichiometric lithium tantalate single crystals
DOI:10.1016/j.optmat.2010.02.033 JN:OPTICAL MATERIALS PY:2010 TC:5 AU: Hsu, W. T.;Chen, Z. B.;You, C. A.;Huang, S. W.;Liu, J. P.;Lan, C. W.;
7:1:198:1 Double hysteresis loop induced by defect dipoles in ferroelectric Pb(Zr0.8Ti0.2)O-3 thin films
DOI:10.1063/1.3549116 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:7 AU: Pu, Yunti;Zhu, Jiliang;Zhu, Xiaohong;Luo, Yuansheng;Wang, Mingsong;Li, Xuhai;Liu, Jing;Zhu, Jianguo;Xiao, Dingquan;
7:1:198:2 Effects of space charge distribution on ferroelectric hysteresis loops considering the inhomogeneous built-in electric field: A phase field simulation
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7:1:198:3 Impedance spectroscopy analysis of Bi0.85Pr0.15Fe0.9Co0.1O3 thin films
DOI:10.1016/j.materresbull.2013.11.054 JN:MATERIALS RESEARCH BULLETIN PY:2014 TC:1 AU: Lin, Ying;Yang, Haibo;Liu, Miao;Zhang, Ge;
7:1:198:4 Ferroelectric properties of Pb(Zr,Ti)O-3 films under ion-beam induced strain
DOI:10.1063/1.4766413 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Lee, Jung-Kun;Nastasi, Michael;
7:1:198:5 Soft and hybrid-doped Pb(Zr,Ti)O(3) ceramics under stress, electric field, and temperature loading
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7:1:199:1 Correlation between enhanced lattice polarizability and high piezoelectric response in BiScO3-PbTiO3
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7:1:199:2 The microstructure and ferroelectricity of BiScO3-PbTiO3 nanoceramics at morphotropic phase boundaries
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7:1:199:3 Structural investigations of the bismuth scandate-lead titanate xBiScO3-(1-x) PbTiO3 solid solution for 0.10 <= x <= 0.40
DOI:10.1103/PhysRevB.82.144108 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Datta, K.;Walker, D.;Thomas, P. A.;
7:1:199:4 Raman Spectra and Phase Transition in (1-x) BiScO3-xPbTiO(3) Nanopowders
DOI:10.1080/00150193.2013.838463 JN:FERROELECTRICS PY:2013 TC:3 AU: Zhang, Shaopeng;Wang, Xiaohui;Li, Longtu;
7:1:199:5 Nucleation-Growth Mode of Cubic-Tetragonal Transition with Coexistence of Phases over a Wide Temperature Interval in the High Temperature Ferroelectric Systems PbTiO3-BiMeO3:Me = Sc , and Zn1/2Ti1/2
DOI:10.1111/j.1551-2916.2012.05250.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:1 AU: Lalitha, K., V;Das, Shamiparna;Kalyani, Ajay Kumar;Garg, Rohini;Ranjan, Rajeev;
7:1:199:6 Structural Characterization and Dielectric Properties of Sol-Gel Synthesized BiScO3-0.64PbTiO3 Ceramics
DOI:10.1080/00150191003708935 JN:FERROELECTRICS PY:2010 TC:2 AU: Shahzad, Khurram;Li, Lihua;Li, Zhenrong;Shabbir, Ghulam;Li, Hui;Yao, Xi;
7:1:199:7 Processing and Characterization of Lead Zirconate Titanate Nanopowders by a Simple Water-Based Sol-Gel Method
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7:1:199:8 Neutron and X-Ray Diffraction Crystal Structure Rietveld Analysis of PbTiO3 Ceramics
DOI:10.1080/00150193.2011.577332 JN:FERROELECTRICS PY:2011 TC:1 AU: Shahzad, K.;Khan, M. Nasir;Shabbir, G.;Bashir, J.;
7:1:200:1 Phase Transition Near the Morphotropic Phase Boundary in Pb(Zn1/3Nb2/3)O3-PbTiO3
DOI:10.1080/00150193.2010.482886 JN:FERROELECTRICS PY:2010 TC:8 AU: Iwata, Makoto;Sakakibara, Kohei;Aoyagi, Rintaro;Maeda, Masaki;Ishibashi, Yoshihiro;
7:1:200:2 Temperature-Field Phase Diagrams in Pb(Mg1/3Nb2/3)O-3-29.5%PbTiO3
DOI:10.1080/00150193.2014.890500 JN:FERROELECTRICS PY:2014 TC:1 AU: Iwata, M.;Yokoi, R.;Sugiyama, Y.;Maeda, M.;Tachi, Y.;Ishibashi, Y.;
7:1:200:3 Large acoustic thermal hysteresis in relaxor ferroelectric Pb(Zn1/3Nb2/3)O-3-PbTiO3
DOI:10.1063/1.4821624 JN:APL MATERIALS PY:2013 TC:3 AU: Tsukada, Shinya;Kim, Tae Hyun;Kojima, Seiji;
7:1:200:4 Temperature-field phase diagrams in Pb(Zn1/3Nb2/3)O-3-4.5%PbTiO3 II
DOI:10.1016/j.ceramint.2012.10.038 JN:CERAMICS INTERNATIONAL PY:2013 TC:5 AU: Iwata, Makoto;Iijima, Naoya;Maeda, Masaki;Ishibashi, Yoshihiro;
7:1:200:5 Temperature-Field Phase Diagrams in Pb(Zn1/3Nb2/3)O-3-4.5% PbTiO3
DOI:10.1080/00150193.2012.675251 JN:FERROELECTRICS PY:2012 TC:7 AU: Iwata, Makoto;Iijima, Naoya;Ishibashi, Yoshihiro;
7:1:200:6 Detailed Investigation of Temperature-Field Phase Diagrams in Pb(Zn1/3Nb2/3)O-3-9%PbTiO3
DOI:10.1080/00150193.2012.747413 JN:FERROELECTRICS PY:2012 TC:6 AU: Iwata, M.;Tanaka, K.;Maeda, M.;Ishibashi, Y.;
7:1:200:7 The Critical End Point in Pb(Zn1/3Nb2/3)O-3-8%PbTiO3
DOI:10.1080/00150193.2011.577363 JN:FERROELECTRICS PY:2011 TC:5 AU: Iwata, Makoto;Kato, Sadaharu;Ishibashi, Yoshihiro;
7:1:200:8 Dielectric Behavior of 95.5% Pb(Zn1/3Nb2/3)O-3-4.5% PbTiO3 Single Crystals under DC Bias from 12-550 K
DOI:10.1080/00150193.2014.922823 JN:FERROELECTRICS PY:2014 TC:0 AU: Ang, Chen;Yu, Zhi;
7:1:201:1:1 Temperature behavior of electrical properties of high-k lead-magnesium-niobium titanate thin-films
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7:1:201:1:2 Effect of processing options on ultra-low-loss lead-magnesium-niobium titanate thin films for high density capacitors
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7:1:201:1:3 UV-/thermal processing of sol-gel-derived lead-magnesium-niobium titanate thin films
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7:1:201:1:4 Effect of nanoparticles on ferroelectric and electrical properties of novel PMNT thin-films
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7:1:201:1:5 Unraveling dielectric and electrical properties of ultralow-loss lead magnesium niobate titanate pyrochlore dielectric thin films for capacitive applications
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7:1:201:2:1 Ferroelectric and dielectric properties of La0.6Sr0.4CoO3-buffered 0.7Pb(Mg1/3Nb2/3)O-3-0.3PbTiO(3) thin film by pulsed laser deposition
DOI:10.1016/j.jallcom.2013.11.043 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:1 AU: Yao, Qirong;Wang, Feifei;Leung, Chung Ming;Tang, Yanxue;Wang, Tao;Jin, Chengchao;Shi, Wangzhou;
7:1:201:2:2 Low-Temperature Processing of High-Performance 0.74Pb(Mg1/3Nb2/3)O-3-0.26PbTiO(3) Thin Films on La0.6Sr0.4CoO3-Buffered Si Substrates for Pyroelectric Arrays Applications
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7:1:201:3:1 Distribution of pyrochlore phase in Pb(Mg1/3Nb2/3)O-3-PbTiO3 films and suppression with a Pb(Zr0.52Ti0.48)O-3 interfacial layer
DOI:10.1016/j.tsf.2012.07.112 JN:THIN SOLID FILMS PY:2012 TC:8 AU: Yang, Sun A.;Cho, Sam Yeon;Lim, Jong Sun;Bu, Sang Don;
7:1:201:3:2 Gamma-ray irradiation effects on electrical properties of ferroelectric PbTiO3 and Pb(Zr0.52Ti0.48)O-3 thin films
DOI:10.1016/j.tsf.2014.04.038 JN:THIN SOLID FILMS PY:2014 TC:1 AU: Yang, Sun A.;Kim, Byung Hoon;Lee, Min Ku;Lee, Gyoung Ja;Lee, Nam-Ho;Bu, Sang Don;
7:1:202:1 A Preisach-based hysteresis model for magnetic and ferroelectric hysteresis
DOI:10.1007/s00339-010-5884-9 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:23 AU: Sutor, Alexander;Rupitsch, Stefan J.;Lerch, Reinhard;
7:1:202:2 An efficient vector Preisach hysteresis model based on a novel rotational operator
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7:1:202:3 A neural model of hysteresis in amorphous materials and piezoelectric materials
DOI:10.1007/s00339-014-8528-7 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2014 TC:0 AU: Ma, Lianwei;Shen, Yu;
7:1:202:4 Sound Generation Using a Magnetostrictive Microactuator
DOI:10.1063/1.3554200 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Albach, Thorsten S.;Horn, Peter;Sutor, Alexander;Lerch, Reinhard;
7:1:202:5 A modified Preisach hysteresis operator for the modeling of temperature dependent magnetic material behavior
DOI:10.1063/1.3562520 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Sutor, Alexander;Rupitsch, Stefan J.;Bi, Shasha;Lerch, Reinhard;
7:1:202:6 The room-temperature ferromagnetism of defect-rich ZnMgO semiconductor thin films
DOI:10.1007/s00339-012-6986-3 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2012 TC:1 AU: Fang, Q. Q.;Wang, W. N.;Li, J. G.;Ding, Q. Q.;Wang, C.;Huang, W. J.;Zhang, H. M.;Zhang, Q. P.;
7:1:202:7 Validation of the rotational vector Preisach model with measurements and simulations of vectorial minor loops
DOI:10.1007/s00339-013-7806-0 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:2 AU: Sutor, Alexander;Bi, Shasha;Lerch, Reinhard;
7:1:202:8 Vector hysteresis modeling using octal clusters of coupled step functions
DOI:10.1063/1.3563071 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Adly, A. A.;Abd-El-Hafiz, S. K.;
7:1:203:1 Effect of electrode and substrate on the fatigue behavior of PZT thick films fabricated by aerosol deposition
DOI:10.1016/j.ceramint.2011.04.092 JN:CERAMICS INTERNATIONAL PY:2012 TC:8 AU: Han, Guifang;Ryu, Jungho;Yoon, Woon-Ha;Choi, Jong-Jin;Hahn, Byung-Dong;Kim, Jong-Woo;Park, Dong-Soo;
7:1:203:2 Structural, dielectric, ferroelectric and optical properties of PBCT, PBST and PCST complex thin films on LaNiO3 metallic conductive oxide layer coated Si substrates by the CSD technique
DOI:10.1016/j.jallcom.2014.04.132 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:0 AU: Pontes, D. S. L.;Chiquito, A. J.;Pontes, F. M.;Longo, E.;
7:1:203:3 Enhancement of ferroelectric and piezoelectric properties in PZT thin films with heterolayered structure
DOI:10.1016/j.matchemphys.2012.12.074 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2013 TC:5 AU: Nguyen, Minh D.;Nguyen, Chi T. Q.;Trinh, Thong Q.;Tai Nguyen;Pham, Thao N.;Rijnders, Guus;Vu, Hung N.;
7:1:203:4 Reliability of Ferroelectric Multilayer PZT Thick Films Fabricated by Aerosol Deposition
DOI:10.1080/00150193.2014.923253 JN:FERROELECTRICS PY:2014 TC:0 AU: Kambale, Rahul C.;Han, Guifang;Yoon, Woon-Ha;Kim, Jong-Woo;Choi, Jong-Jin;Hahn, Byung-Dong;Park, Dong-Soo;Ahn, Cheol-Woo;Ryu, Jungho;
7:1:203:5 Effect of Film Thickness on the Piezoelectric Properties of Lead Zirconate Titanate Thick Films Fabricated by Aerosol Deposition
DOI:10.1111/j.1551-2916.2010.04276.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:7 AU: Han, Guifang;Ryu, Jungho;Yoon, Woon-Ha;Choi, Jong-Jin;Hahn, Byung-Dong;Park, Dong-Soo;
7:1:203:6 Process dependence of the piezoelectric response of membrane actuators based on Pb(Zr0.45Ti0.55)O-3 thin films
DOI:10.1016/j.tsf.2014.01.007 JN:THIN SOLID FILMS PY:2014 TC:1 AU: Nguyen, C. T. Q.;Nguyen, M. D.;Dekkers, M.;Houwman, E.;Vu, H. N.;Rijnders, G.;
7:1:203:7 Experimental investigation on the effect of top electrode diameter in PZT thick films
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7:1:203:8 Structural and electrical properties of Pb(Zr0.53Ti0.47)O-3 films prepared on La0.5Sr0.5CoO3 coated Si substrates
DOI:10.1016/j.jeurceramsoc.2009.05.007 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:5 AU: Chen, Feng;Cheng, Jinrong;Yu, Shenwen;Meng, Zhongyan;
7:1:204:1 In situ observation of correlations between domain switching and crack propagation in BaTiO3 single crystals under coupling of mechanical and electric loads
DOI:10.1016/j.scriptamat.2013.09.015 JN:SCRIPTA MATERIALIA PY:2014 TC:1 AU: Jiang, Bing;Bai, Yang;Li, Meicheng;Mwenya, Trevor;
7:1:204:2 In situ observation of electric field induced crack propagation in BaTiO3 crystals along the field direction
DOI:10.1016/j.scriptamat.2012.06.020 JN:SCRIPTA MATERIALIA PY:2012 TC:8 AU: Li, Y. W.;Li, F. X.;
7:1:204:3 Effect of switching stresses on domain evolution during quasi-static crack growth in a ferroelastic single crystal
DOI:10.1016/j.actamat.2009.12.044 JN:ACTA MATERIALIA PY:2010 TC:5 AU: Neumeister, Peter;Kessler, Hannes;Balke, Herbert;
7:1:204:4 In situ mechanical compression of polycrystalline BaTiO3 in the ESEM
DOI:10.1016/j.jeurceramsoc.2014.03.015 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:0 AU: Reichmann, A.;Mitsche, S.;Zankel, A.;Poelt, P.;Reichmann, K.;
7:1:204:5 Direct observation of domain switching and crack nucleation in a piezoelectric material
DOI:10.1016/j.ceramint.2011.03.012 JN:CERAMICS INTERNATIONAL PY:2011 TC:5 AU: Leach, C.;Ali, N. K.;Hall, D. A.;
7:1:204:6 Direct observation of ferroelectric domain formation by environmental scanning electron microscopy
DOI:10.1016/j.jeurceramsoc.2011.05.043 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2011 TC:4 AU: Reichmann, A.;Zankel, A.;Reingruber, H.;Poelt, P.;Reichmann, K.;
7:1:204:7 Surface Potential Distribution in an Indentation- Pre-Cracked BaTiO3 Single Crystal
DOI:10.1111/j.1551-2916.2011.04634.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:3 AU: Sun, X.;Su, Y. J.;Gao, K. W.;Guo, L. Q.;Qiao, L. J.;Chu, W. Y.;Zhang, Tong-Yi;
7:1:204:8 Charge accumulation in grain boundary promotes intergranular fracture of lead zirconate titanate piezoceramics under mechanical and electric load
DOI:10.1016/j.scriptamat.2011.11.015 JN:SCRIPTA MATERIALIA PY:2012 TC:2 AU: Sun, X.;Su, Y. J.;Gao, K. W.;Guo, L. Q.;Qiao, L. J.;
7:1:205:1 Effects of annealing atmosphere on the structural and electrical properties of (Na0.5K0.5)NbO3 thin films grown by RF magnetron sputtering
DOI:10.1016/j.actamat.2012.02.015 JN:ACTA MATERIALIA PY:2012 TC:10 AU: Kim, Bo-Yun;Seong, Tae-Geun;Seo, In-Tae;Jang, Min-Soo;Nahm, Sahn;Kang, Jong-Yun;Yoon, Seok-Jin;
7:1:205:2 Electrical Properties of a 0.95(Na0.5K0.5) NbO3-0.05CaTiO(3) Thin Film Grown on a Pt/Ti/SiO2/Si Substrate
DOI:10.1111/jace.13050 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:1 AU: Lee, Youn-Seon;Seo, In-Tae;Kim, Bo-Yun;Nahm, Sahn;Kang, Chong-Yun;Jeong, Young-Hun;Paik, Jong-Hoo;
7:1:205:3 Growth Behavior and Electrical Properties of a (Na0.5K0.5) NbO3 Thin Film Deposited on a Pt/Ti/SiO2/Si Substrate Using RF Magnetron Sputtering
DOI:10.1111/j.1551-2916.2011.04574.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:5 AU: Kang, Lee-Seung;Kim, Bo-Yun;Seo, In-Tae;Seong, Tae-Geun;Kim, Jin-Seong;Sun, Jong-Woo;Paik, Dong-Soo;Hwang, Inrok;Park, Bae Ho;Nahm, Sahn;
7:1:205:4 Effects of oxygen pressure on electrical properties of (Na0.5K0.5)NbO3 films grown on Pt/Ti/SiO2/Si substrates
DOI:10.1016/j.actamat.2012.09.010 JN:ACTA MATERIALIA PY:2012 TC:3 AU: Kim, Bo-Yun;Seong, Tae-Geun;Seo, In-Tae;Kim, Jin-Seong;Kang, Chong-Yun;Yoon, Seok-Jin;Nahm, Sahn;
7:1:205:5 Lead-free (Na-0.5,K-0.5)NbO3 thin films for the implantable piezoelectric medical sensor applications
DOI:10.1016/j.matlet.2012.05.079 JN:MATERIALS LETTERS PY:2012 TC:3 AU: Kwak, Jiyeon;Kingon, Angus I.;Kim, Seung-Hyun;
7:1:205:6 Effects of CaTiO3 addition on microstructures and electrical properties of Na0.52K0.48NbO3 lead-free piezoelectric ceramics
DOI:10.1016/j.ceramint.2012.10.047 JN:CERAMICS INTERNATIONAL PY:2013 TC:2 AU: Chen, Cheng-Sao;Chou, Chen-Chia;Lin, Yung-Shun;Chen, Pin-Yi;Chen, Haydn;
7:1:206:1 Unipolar and bipolar fatigue in antiferroelectric lead zirconate thin films and evidences for switching-induced charge injection inducing fatigue
DOI:10.1063/1.3358138 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Lou, X. J.;Wang, J.;
7:1:206:2 Strong electron emission from antiferroelectric PLZT(2/95/5) films
DOI:10.1063/1.4881885 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Yaseen, Muhammad;Lou, Xiaojie;Chen, Xiaofeng;Ren, Wei;Liu, Yang;Feng, Yujun;Shi, Peng;Wu, Xiaoqing;
7:1:206:3 Rayleigh-like nonlinear dielectric response and its evolution during electrical fatigue in antiferroelectric (Pb,La)(Zr,Ti)O-3 thin film
DOI:10.1063/1.4870992 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Luo, Zhengdong;Lou, Xiaojie;Zhang, Fuping;Liu, Yang;Chang, Dingding;Liu, Chenqi;Liu, Qida;Dkhil, Brahim;Zhang, Ming;Ren, Xiaobing;He, Hongliang;
7:1:206:4 Effect of annealing temperature on ferroelectric electron emission of sol-gel PZT films
DOI:10.1016/j.ceramint.2012.10.116 JN:CERAMICS INTERNATIONAL PY:2013 TC:2 AU: Yaseen, Muhammad;Chen, Xiaofeng;Ren, Wei;Feng, Yujun;Shi, Peng;Wu, Xiaoqing;Zhu, Weiguang;
7:1:206:5 Effect of SrTiO3 Buffer Layers on Crystallization and Properties of Sol-Gel Derived Pb(Zr0.52Ti0.48)O3 Thin Films
DOI:10.1080/00150193.2010.484664 JN:FERROELECTRICS PY:2010 TC:2 AU: Xin, Hong;Ren, Wei;Wu, Xiaoqing;Shi, Peng;Zhu, Wanlin;Zhang, Xiaohua;
7:1:206:6 Ultra-low voltage ferroelectric electron emission from lead zirconate titanate thin films with nanostructured top electrodes
DOI:10.1063/1.3603049 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Becherer, J.;Mieth, O.;Vidyarthi, V. S.;Gerlach, G.;Eng, L. M.;
7:1:206:7 Effect of high-field relative permittivity on the electron emission field of PNZST cathode induced by nanosecond pulsed electric field
DOI:10.1016/j.ceramint.2014.03.121 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Liu, Yang;Lou, Xiaojie;Xu, Zhuo;He, Hongliang;Feng, Yujun;
7:1:206:8 Time-resolved properties of ferroelectric electron emission from [Pb(Mg1/3Nb2/3)O-3](0.71)[PbTiO3](0.29) single crystals
DOI:10.1063/1.4739487 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Becherer, J.;Mieth, O.;Eng, L. M.;
7:1:207:1 High Quality Mn-Doped (Na,K)NbO3 Nanofibers for Flexible Piezoelectric Nanogenerators
DOI:10.1021/am502234q JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:10 AU: Kang, Han Byul;Chang, Jiyoung;Koh, Kisik;Lin, Liwei;Cho, Yong Soo;
7:1:207:2 Structural phase transitions and electrical properties of (KxNa1-x)NbO3-based ceramics modified with Mn
DOI:10.1016/j.jeurceramsoc.2012.07.033 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:9 AU: Mgbemere, Henry E.;Hinterstein, Manuel;Schneider, Gerold A.;
7:1:207:3 Biocompatible ferroelectric (Na,K)NbO3 nanofibers
DOI:10.1063/1.3673282 JN:APPLIED PHYSICS LETTERS PY:2012 TC:5 AU: Jalalian, A.;Grishin, A. M.;
7:1:207:4 Piezoelectricity and electrostriction in biocompatible (Na,K)NbO3 nanofiber scaffolds
DOI:10.1063/1.4884117 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Jalalian, A.;Grishin, A. M.;
7:1:208:1 Effect of Zr4+ Content on the Grain Growth, Dielectric Relaxation Behavior, and Ferroelectric Properties of Ba0.4Sr0.6Ti1-x Zr (x) O-3 Nano-Ceramics Prepared by Different Methods Assisted by Fast Microwave Sintering
DOI:10.1007/s11664-014-3107-4 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2014 TC:0 AU: Sun Zixiong;Pu Yongping;Liu Yuwen;
7:1:208:2 Dielectric properties of Ba1-xSrxTiO3 ceramics prepared by microwave sintering
DOI:10.1016/j.ceramint.2012.10.089 JN:CERAMICS INTERNATIONAL PY:2013 TC:9 AU: Yu, Yang;Wang, Xusheng;Yao, Xi;
7:1:208:3 Effect of Zr4+ content on the T-C range and dielectric and ferroelectric properties of BaZrxTi1-xO3 ceramics prepared by microwave sintering
DOI:10.1016/j.ceramint.2013.09.069 JN:CERAMICS INTERNATIONAL PY:2014 TC:7 AU: Sun, Zixiong;Pu, Yongping;Dong, Zijing;Hu, Yao;Liu, Xiaoyan;Wang, Peikui;
7:1:208:4 Phase formation and microstructure of BaxSr1-xTiO3 ceramics prepared by direct current arc discharge plasma process
DOI:10.1016/j.matlet.2014.03.019 JN:MATERIALS LETTERS PY:2014 TC:4 AU: Li, Shuangbin;Yao, Ying;Jia, Yongzhong;Cui, Zhenhua;
7:1:208:5 Influence of addition of copper cadmium ferrite on the dielectric and electrical behavior of BaSrTiO3 ceramics
DOI:10.1016/j.ceramint.2012.04.048 JN:CERAMICS INTERNATIONAL PY:2012 TC:2 AU: Verma, Kavita;Sharma, Seema;
7:1:208:6 Investigations of BaxSr1-xTiO3 ceramics and powders prepared by direct current arc discharge technique
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7:1:208:7 Investigation of Structural and Magnetic Properties of Cu1-xCdxFe2O4 Ceramic System
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7:1:209:1 Structural and electrical properties of BZT-added BNLT ceramics
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7:1:209:2 Influence of calcium substitution on structural and electrical properties of substituted barium titanate
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7:1:209:3 Influence of Ca substitution on microstructure and electrical properties of Ba(Zr,Ti)O-3 ceramics
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7:1:209:4 Microstructure and dielectric properties of Dy/Mn doped BaTiO3 ceramics
DOI:10.1016/j.ceramint.2013.08.092 JN:CERAMICS INTERNATIONAL PY:2014 TC:8 AU: Paunovic, V.;Mitic, V. V.;Prijic, Z.;Zivkovic, Lj.;
7:1:209:5 The contribution of fractal nature to BaTiO3-ceramics microstructure analysis
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7:1:209:6 Microstructure and Dielectric Properties of Rare-Earth Doped BaTiO3 Ceramics
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7:1:210:1 Microstructure and electrical properties of Mn/Y codoped Ba0.67Sr0.33TiO3 ceramics
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7:1:210:2 Fabrication and influence of sintering temperature on material properties of Mn/Y codoped Ba0.67Sr0.33TiO3 ceramics via using citrate-nitrate combustion derived powder
DOI:10.1016/j.jallcom.2013.02.081 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:2 AU: Yan, Dongxu;Xu, Zunping;Chen, Xiaolong;Xiao, Dingquan;Lai, Xinchun;Zhu, Jianguo;
7:1:210:3 Pyroelectric properties of arrayed BaTiO3 system thick film for uncooled IR detector
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7:1:210:4 Effects of sintering temperature on the properties of donor-acceptor codoped Ba0.67Sr0.33TiO3 ceramics for pyroelectric infrared detector applications
DOI:10.1016/j.ceramint.2013.08.139 JN:CERAMICS INTERNATIONAL PY:2014 TC:2 AU: Xu, Zunping;Qiang, Hua;Chen, Yi;Nie, Chaoyin;
7:1:210:5 The Effects of Buffers on the Microstructure and Electrical Properties of Mn/Y Co-Doped Ba0.67Sr0.33TiO3 Thin Films
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7:1:210:6 Effect of Annealing Temperature on the Properties of Ba0.67Sr0.33TiO3: Mn+Y Thin Films
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7:1:210:7 Enhancement of Properties of Mn/Y Co-doped Ba0.67Sr0.33TiO3 Films on Oxide Electrode by Inserting a SrTiO3 Buffer Layer
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7:1:210:8 The Fabrication of Highly (100)-Oriented Ba0.8Sr0.2TiO3/LaNiO3 Multilayers via Sol-Gel Method
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7:1:211:1 Tailoring non-linear dielectric properties by local field engineering in anisotropic porous ferroelectric structures
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7:1:211:2 Tunable gold-chitosan nanocomposites by local field engineering
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7:1:211:3 Low field permittivity of ferroelectric-ferrite ceramic composites: Experiment and modeling
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7:1:211:4 Experimental and analytical modeling of resonant permittivity and permeability in ferroelectric-ferrite composites in microwave range
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7:1:211:5 Magnetodielectric effect in trilayered Co65Fe35B20/PVDF/Co65Fe35B20 composite materials. Prediction and measurement for tunable microwave applications
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7:1:212:1 Low temperature synthesis of tetragonal BaTiO3 by a novel composite-hydroxide-mediated approach and its dielectric properties
DOI:10.1016/j.jeurceramsoc.2009.08.026 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:14 AU: Xie, Yahong;Yin, Shu;Hashimoto, Takatoshi;Tokano, Yuichi;Sasaki, Atsushi;Sato, Tsugio;
7:1:212:2 Study the Raman Spectra and Dielectric Properties of Hexagonal BaTi1-xGaxO3 Ceramics
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7:1:212:3 Enhanced microwave-assisted sintering of X7R ceramic dielectrics for use in multilayer capacitors
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7:1:212:4 Synthesis and piezoelectric properties of Li-doped BaTiO3 by a solvothemial approach
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7:1:212:5 Doping behaviors of NiO and Nb2O5 in BaTiO3 and dielectric properties of BaTiO3-based X7R ceramics
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7:1:212:6 Synthesis of submicron BaTiO3 particles by modified solid-state reaction method
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7:1:212:7 Low-temperature synthesis of SrZrO3 nanocubes by the composite-hydroxide-mediated approach
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7:1:213:1 Photoluminescence properties and synthesis of a PZT mesostructure obtained by the microwave-assisted hydrothermal method
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7:1:213:2 Electrical and ferroelectric properties of undoped and La-doped PZT (52/48) electroceramics synthesized by sol-gel method
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7:1:213:3 Interrelationship between phase transition characteristics and piezoelectric response in lead lanthanum zirconate titanate relaxor ceramics
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7:1:213:4 Preparation of ultrathin PZT films by a chemical solution deposition method from a polymeric citrate precursor
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7:1:213:5 Vacuum-ultraviolet ellipsometry spectra and structural properties of Pb(Zr,Ti)O-3 films
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7:1:213:6 Structural, dielectric and ferroelectric properties of PLZFNT ceramics
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7:1:213:7 Optical and structural properties of low thickness lead zirconate titanate films on sapphire substrates prepared via sol-gel method
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7:1:214:1 Ultrafast pump-probe measurements of short small-polaron lifetimes in the mixed-valence perovskite Cs2Au2I6 under high pressures
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7:1:214:2 Pressure-induced symmetry breaking in tetragonal CsAuI3
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7:1:214:3 Bandgap closure and reopening in CsAuI3 at high pressure
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7:1:214:4 Polymorphism in BaPb1-xBixO3 at the superconducting composition
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7:1:214:5 Single crystal growth by self-flux method of the mixed valence gold halides Cs-2[(AuX2)-X-I][(AuX4)-X-III] (X=Br,I)
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7:1:214:6 Synthesis and Properties of Charge-Ordered Thallium Halide Perovskites, CsTl0.5+Tl0.53+X3 (X = F or Cl): Theoretical Precursors for Superconductivity?
DOI:10.1021/cm402423x JN:CHEMISTRY OF MATERIALS PY:2013 TC:2 AU: Retuerto, M.;Emge, T.;Hadermann, J.;Stephens, P. W.;Li, M. R.;Yin, Z. P.;Croft, M.;Ignatov, A.;Zhang, S. J.;Yuan, Z.;Jin, C.;Simonson, J. W.;Aronson, M. C.;Pan, A.;Basov, D. N.;Kotliar, G.;Greenblatt, M.;
7:1:215:1 Enhanced Pyroelectric and Piezoelectric Figure of Merit of Porous Bi-0.5(Na0.82K0.18)(0.5)TiO3 Lead-Free Ferroelectric Thick Films
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7:1:215:2 Phase, microstructure and conductivity of electron-doped Ba1-xLaxPbO3 ceramics
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7:1:215:3 Stress analysis and ferroelectric properties of Pb(Zr0.52Ti0.48)(0.96)Nb0.04O3 thin film grown on different thickness of BaPbO3 electrodes
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7:1:215:4 Enhanced performance of Pb0.8La0.1Ca0.1Ti0.975O3/Pb(Nb0.01Zr0.2Ti0.8)O-3 multilayer thin films for pyroelectric applications
DOI:10.1063/1.3600336 JN:APPLIED PHYSICS LETTERS PY:2011 TC:3 AU: Chi, Q. G.;Wang, X.;Li, W. L.;Fei, W. D.;Lei, Q. Q.;
7:1:215:5 Fatigue characteristic and pyroelectric properties of highly (111)-oriented Nb doped Pb(Zr-0.2,Ti-0.8)O-3 thin films with Pb0.8La0.1Ca0.1Ti0.975O3 seed layer prepared by a sol-gel route
DOI:10.1016/j.jallcom.2010.11.109 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:2 AU: Chi, Q. G.;Li, W. L.;Wang, X.;Fei, W. D.;Lei, Q. Q.;
7:1:215:6 Thickness dependence of structure and piezoelectric properties at nanoscale of polycrystalline lead zirconate titanate thin films
DOI:10.1063/1.4801961 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Araujo, E. B.;Lima, E. C.;Bdikin, I. K.;Kholkin, A. L.;
7:1:215:7 Microstructural and electrical characterization of bulk YBa2Cu3O7-delta ceramics
DOI:10.1016/j.ceramint.2011.05.133 JN:CERAMICS INTERNATIONAL PY:2012 TC:2 AU: Suasmoro, S.;Khalfi, M. F.;Khalfi, A.;Trolliard, G.;Smith, D. S.;Bonnet, J. P.;
7:1:216:1 Fabrication of Sodium Potassium Niobate Ceramics by Two Step Sintering Assisted Molten Salts Synthesis
DOI:10.1080/00150193.2013.846171 JN:FERROELECTRICS PY:2013 TC:0 AU: Lartcumfu, Narumon;Kruea-In, Chatchai;Tawichai, Nattaya;Rujijanagul, Gobwute;
7:1:216:2 The Effect of Ta Doping on the Phase Transitions and the Piezoelectric and Ferroelectric Properties of K0.35Na0.65NbO3
DOI:10.1080/00150193.2012.676971 JN:FERROELECTRICS PY:2012 TC:3 AU: Schiemer, Jason;Liu, Yun;Carpenter, Michael;Withers, Ray;
7:1:216:3 Preparation and Properties of La and K Co-Doped BaTiO3 Lead-Free Piezoelectric Ceramics
DOI:10.1080/00150193.2012.707862 JN:FERROELECTRICS PY:2012 TC:2 AU: Wu, Dun;Fang, Bijun;Du, Qingbo;Ding, Jianning;
7:1:216:4 Electrical properties of lanthanum doped barium titanate ceramics
DOI:10.1016/j.matchar.2011.07.013 JN:MATERIALS CHARACTERIZATION PY:2011 TC:14 AU: Petrovic, M. M. Vijatovic;Bobic, J. D.;Ramoska, T.;Banys, J.;Stojanovic, B. D.;
7:1:216:5 Effects of the Second Component on the Structure and Electrical Properties of Na1/2K1/2NbO3-Based Lead-Free Piezoelectric Ceramics
DOI:10.1080/00150193.2011.542718 JN:FERROELECTRICS PY:2011 TC:2 AU: Jiang, Na;Fang, Bijun;Du, Qingbo;Zhou, Limin;
7:1:216:6 Morphotropic Phase Boundary of Sodium-Potassium Niobate Lead-Free Piezoelectric Ceramics
DOI:10.1111/j.1551-2916.2010.04143.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:5 AU: Pang, Xuming;Qiu, Jinhao;Zhu, Kongjun;
7:1:216:7 Effect of Al and Mg Doping on Dielectric Properties of BaTiO3 Synthesized by Solution Combustion Technique
DOI:10.1080/00150193.2013.846717 JN:FERROELECTRICS PY:2013 TC:1 AU: Jongprateep, Oratai;Khongnakhon, Tunchanoke;
7:1:217:1 A New Material for High-Temperature Lead-Free Actuators
DOI:10.1002/adfm.201300899 JN:ADVANCED FUNCTIONAL MATERIALS PY:2013 TC:4 AU: Kursumovic, Ahmed;Defay, Emmanuel;Lee, Oon Jew;Tsai, Chen-Fong;Bi, Zhenxing;Wang, Haiyan;MacManus-Driscoll, Judith L.;
7:1:217:2 Fabrication and Properties of High Curie Temperature xBiZn(1/2)Ti(1/2)O(3)-(1-x) PbTiO3 Piezoelectric Films by a Sol-Gel Process
DOI:10.1111/j.1551-2916.2011.05024.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:5 AU: Zhong, Caifu;Guo, Limin;Wang, Xiaohui;Li, Longtu;
7:1:217:3 Effects of morphology and strain on the dielectric response of multiferroic CoFe2O4-BaTiO3 nanocomposite thin films
DOI:10.1063/1.3462449 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:7 AU: Fina, I.;Dix, N.;Fabrega, L.;Sanchez, F.;Fontcuberta, J.;
7:1:217:4 Response to "Comment on 'On the strain coupling across vertical interfaces of switchable BiFeO3-CoFe2O4 multiferroic nanostructures' " [Appl. Phys. Lett. 96, 076101 (2010)]
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7:1:217:5 Effect of PbO Seeding Layers on the Structure and Properties of the Sol-Gel-Derived BiScO3-PbTiO3 Thin Films
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7:1:217:6 Investigation of Thickness Dependence of Structure and Electric Properties of Sol-Gel-Derived BiScO3-PbTiO3 Thin Films
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7:1:217:7 Comment on "On the strain coupling across vertical interfaces of switchable BiFeO3-CoFe2O4 multiferroic nanostructures" [Appl. Phys. Lett. 95, 062907 (2009)]
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7:1:218:1 Preparation and positive temperature coefficient of resistivity behavior of Ba0.95Ca0.05TiO3-BiYO3-Na0.5Bi0.5TiO3 ceramics
DOI:10.1016/j.powtec.2011.12.053 JN:POWDER TECHNOLOGY PY:2012 TC:4 AU: Pu, Yongping;Wu, Haidong;Wei, Jifeng;Xu, Ning;
7:1:218:2 An Ultra-Broad Working Temperature Dielectric Material of BaTiO3-Based Ceramics with Nd2O3 Addition
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7:1:218:3 Relaxation dynamics of the conductive processes in BaTiO3 ceramics at high temperature
DOI:10.1016/j.mseb.2010.03.085 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2010 TC:4 AU: Leyet, Y.;Guerrero, F.;de la Cruz, J. Perez;
7:1:218:4 Effect of Na0.5Bi0.5TiO3 on dielectric properties of BaTiO3 based ceramics
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7:1:218:5 Solid state metathesis synthesis of BaTiO3, PbTiO3, K0.5Bi0.5TiO3 and Na0.5Bi0.5TiO3
DOI:10.1016/j.ceramint.2009.12.026 JN:CERAMICS INTERNATIONAL PY:2010 TC:3 AU: Velchuri, Radha;Kumar, B. Vijaya;Devi, V. Rama;Prasad, G.;Vithal, M.;
7:1:219:1 Tunable three-dimensional diamond photonic crystal made of a liquid medium
DOI:10.1063/1.4802757 JN:APPLIED PHYSICS LETTERS PY:2013 TC:11 AU: Han, Haoxue;Li, Dichen;
7:1:219:2 High electrostrictive coefficient Q(33) in lead-free Ba(Zr0.2Ti0.8)O-3-x(Ba0.7Ca0.3)TiO3 piezoelectric ceramics
DOI:10.1063/1.4904019 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Li, Fei;Jin, Li;Guo, Runping;
7:1:219:3 Temperature dependence of strain-polarization coupling in ferroelectric ceramics
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7:1:220:1 Crystal plane evolution of grain oriented alumina ceramics with high transparency
DOI:10.1016/j.ceramint.2012.03.074 JN:CERAMICS INTERNATIONAL PY:2012 TC:7 AU: Yi, Hailan;Mao, Xiaojian;Zhou, Guohong;Chen, Shi;Zou, Xiaoqing;Wang, Shiwei;Shimai, Shunzo;
7:1:220:2 Topotactic preparation of textured alumina ceramics from dehydroxylation of gibbsite films
DOI:10.1016/j.matchemphys.2014.07.009 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2014 TC:0 AU: Louaer, Seif-Eddine;Wang, Yao;Guo, Lin;
7:1:220:3 Magnetic field oriented tetragonal zirconia with anisotropic toughness
DOI:10.1016/j.jeurceramsoc.2011.02.002 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2011 TC:6 AU: Zhang, Li;Vleugels, Jef;Darchuk, Larysa;Van der Biest, Omer;
7:1:220:4 Slip Casting of Alumina Suspensions in a Strong Magnetic Field
DOI:10.1111/j.1551-2916.2010.03861.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:5 AU: Zhang, Li;Vleugels, Jef;Van der Biest, Omer;
7:1:220:5 Texturing of 3Y-TZP zirconia by electrophoretic deposition in a high magnetic field of 17.4 T
DOI:10.1016/j.jeurceramsoc.2014.04.045 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:3 AU: Vriami, Despoina;Beaugnon, Eric;Vanmeensel, Kim;Vleugels, Jozef;Van der Biest, Omer;
7:1:221:1 Investigation of broad spectrum absorption of Lead zirconate titanate grating
DOI:10.1016/j.jallcom.2014.08.039 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:0 AU: Ma Zhi-Chao;Xu Zhi-Mou;Wu Xing-Hui;Luo Chun-Ya;Peng Jing;
7:1:221:2 Cascading metallic gratings for broadband absorption enhancement in ultrathin plasmonic solar cells
DOI:10.1063/1.4871584 JN:APPLIED PHYSICS LETTERS PY:2014 TC:6 AU: Wen, Long;Sun, Fuhe;Chen, Qin;
7:1:221:3 Characteristics of electrical power generation from lead zirconate titanatepiezoelectric ceramics under cyclic loading
DOI:10.1016/j.ceramint.2013.11.114 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Okayasu, Mitsuhiro;Mizuno, Mamoru;Shiraishi, Tetsuro;
7:1:221:4 Power generation characteristics of PZT piezoelectric ceramics using drop weight impact techniques: Effect of dimensional size
DOI:10.1016/j.ceramint.2013.06.007 JN:CERAMICS INTERNATIONAL PY:2014 TC:4 AU: Chure, Ming-Cheng;Wu, Long;Wu, King-Kung;Tung, Chia-Cheng;Lin, Jui-Sheng;Ma, Wu-Chung;
7:1:221:5 A study of the effects of vibration on the electric power generation properties of lead zirconate titanate piezoelectric ceramic
DOI:10.1016/j.ceramint.2012.02.018 JN:CERAMICS INTERNATIONAL PY:2012 TC:4 AU: Okayasu, Mitsuhiro;Sato, Daisuke;Sato, Yuki;Konno, Masashi;Shiraishi, Tetsuro;
7:1:222:1 The structural and in-plane dielectric/ferroelectric properties of the epitaxial (Ba, Sr)(Zr, Ti)O-3 thin films
DOI:10.1063/1.4883963 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Chan, N. Y.;Wang, D. Y.;Wang, Y.;Dai, J. Y.;Chan, H. L. W.;
7:1:222:2 Preparation and characterizations of Ba(Zr,Ti)O-3/(Ba,Sr)TiO3 heterostructures grown on (LaAlO3)(0.3)(Sr2AlTaO6)(0.35) single crystal substrates by pulsed laser deposition
DOI:10.1016/j.tsf.2010.03.088 JN:THIN SOLID FILMS PY:2010 TC:5 AU: Chan, N. Y.;Gao, G. Y.;Wang, Y.;Chan, H. L. W.;
7:1:222:3 Barium Strontium Zirconate Titanate (Ba,Sr)(Zr,Ti)O-3 Thin Films for Tunable Microwave Applications
DOI:10.1080/00150193.2011.594714 JN:FERROELECTRICS PY:2011 TC:3 AU: Chan, N. Y.;Wang, Y.;Chan, H. L. W.;
7:1:222:4 Microstructure and Nano-mechanical Properties of Mn-doped (Ba,Sr)TiO3//Ba(Zr,Ti)O-3 Layered Films on MgO
DOI:10.1080/00150193.2014.922838 JN:FERROELECTRICS PY:2014 TC:0 AU: He, J.;Jiang, J. C.;Meletis, E. I.;Liu, M.;Collins, G.;Ma, C. R.;Chen, C. L.;Bhalla, A.;
7:1:222:5 Refining of Nanopillars Induced by Mn-doping in Epitaxial Ba(Zr,Ti)O-3 Thin Films
DOI:10.1080/10584587.2011.621054 JN:INTEGRATED FERROELECTRICS PY:2011 TC:2 AU: He, J.;Jiang, J. C.;Meletis, E. I.;Liu, M.;Collins, G.;Ma, C. R.;Chen, C. L.;Bhalla, A.;
7:1:223:1 Microstructure and dielectric properties of BST ceramics derived from high-energy ball-milling
DOI:10.1016/j.jallcom.2013.09.031 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Liu, Cheng;Liu, Peng;
7:1:223:2 The effect of Mn addition on phase development, microstructure and microwave dielectric properties of ZrTi2O6-ZnNb2O6 ceramics
DOI:10.1016/j.matlet.2012.04.093 JN:MATERIALS LETTERS PY:2012 TC:5 AU: Yu, Shengquan;Tang, Bin;Zhang, Shuren;Zhou, Xiaohua;
7:1:223:3 Phase evolution, Raman spectroscopy and microwave dielectric behavior of (Li1/4Nb3/4) doped ZrO2-TiO2 system
DOI:10.1007/s00339-010-5838-2 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:3 AU: Pang, Li-Xia;Wang, Hong;Zhou, Di;Chen, Yue-Hua;Yao, Xi;
7:1:223:4 The effect of transition metal oxides on the tunablility and microwave dielectric properties of Ba0.5Sr0.5TiO3-BaWO4 composite ceramics
DOI:10.1016/j.matchemphys.2011.03.043 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:3 AU: Zhang, Mingwei;Zhai, Jiwei;Shen, Bo;Yao, Xi;
7:1:223:5 Tunable and microwave dielectric properties of Ba0.5Sr0.5TiO3-BaWO4 composite ceramics doped with Co2O3
DOI:10.1016/j.materresbull.2010.08.004 JN:MATERIALS RESEARCH BULLETIN PY:2010 TC:2 AU: Zhang, Mingwei;Zhai, Jiwei;Yao, Xi;
7:1:223:6 Effects of manganese nitrate concentration on the performance of an aluminum substrate beta-PbO2-MnO2-WC-ZrO2 composite electrode material
DOI:10.1016/j.ijhydene.2013.12.091 JN:INTERNATIONAL JOURNAL OF HYDROGEN ENERGY PY:2014 TC:1 AU: Yang, Haitao;Chen, Buming;Liu, Huanrong;Guo, Zhongcheng;Zhang, Yongchun;Li, Xuelong;Xu, Ruidong;
7:1:223:7 Structural and microwave dielectric behavior of (Li1/4Nb3/4) substituted ZrxSnyTizO4 (x plus y plus z=2) system
DOI:10.1016/j.matchemphys.2010.10.005 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:1 AU: Pang, Li-Xia;Zhou, Di;Chen, Yue-Hua;Wang, Hong;
7:1:224:1 Anomalous Curie temperature behavior of A-site Gd-doped BaTiO3 ceramics: The influence of strain
DOI:10.1063/1.3563710 JN:APPLIED PHYSICS LETTERS PY:2011 TC:12 AU: Ben, Liubin;Sinclair, Derek C.;
7:1:224:2 Phase transition and piezoelectric, ferromagnetic response of B-site (Co, Nb) modified BaTiO3 ceramics
DOI:10.1016/j.ceramint.2013.06.079 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Zhou, Min;Zhang, Jingji;Ji, Ludong;Wang, Yidan;Wang, Jiangying;Yu, Faxin;
7:1:224:3 Relaxor behavior and dielectric relaxation in Pb(Ba1/3Nb2/3)O-3: A phase pure new relaxor material
DOI:10.1063/1.3528219 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Bajpai, P. K.;Pastor, Mukul;Singh, K. N.;
7:1:224:4 Comment on "Relaxor behavior and dielectric relaxation in Pb(Ba1/3Nb2/3)O-3: A phase pure new relaxor material" [J. Appl. Phys. 109, 014114 (2011)]
DOI:10.1063/1.3594694 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Macutkevic, J.;Banys, J.;
7:1:224:5 Diffuse Phase Transition and Electrical Conductivity of Pb(Ca1/3Nb2/3)O-3
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7:1:225:1 Low voltage extrinsic switching of ferroelectric delta-PVDF ultra-thin films
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7:1:225:2 Transition of the polarization switching from extrinsic to intrinsic in the ultrathin polyvinylidene fluoride homopolymer films
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7:1:225:3 Transition from relaxor to ferroelectric-like phase in poly(vinylideneflouride-trifluoroethylene-chloroflouroethylene) terpolymer ultrathin films
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7:1:225:4 Pressure-induced changes in the dielectric response of polymer relaxors
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7:1:225:5 Controlling the microstructure of poly(vinylidene-fluoride) (PVDF) thin films for microelectronics
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7:1:225:6 The Intrinsic Coercive Field for P(VDF-TrFE) Thin-Films with Different Thicknesses
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7:1:226:1 Enhanced dielectric properties of lead barium zirconate thin films by manganese doping
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7:1:226:2 Structure and dielectric performance of K-doped (Pb0.5Ba0.5)ZrO3 thin films
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7:1:226:3 Effects of aging time of sol on the microstructure and electrical properties of (Pb0.5Ba0.5)ZrO3 thin films
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7:1:226:4 Structure and dielectric tunability of (Pb0.5Ba0.5)ZrO3 thin films derived on (Sr0.95La0.05)TiO3 buffer-layered substrates
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7:1:226:5 Fabrication and Tunable Dielectric Properties of Magnesium-Doped Lead Barium Zirconate Thin Films
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7:1:227:1 Vaporization and Poor Wettability as the Main Challenges in Fabrication of TiB2-Cu Cermets Studied by SPS
DOI:10.3390/met4040623 JN:METALS PY:2014 TC:0 AU: Ziemnicka-Sylwester, Marta;
7:1:227:2 Consolidation of mechanically alloyed nanocrystalline Cu-Nb-ZrO2 powder by spark plasma sintering
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7:1:227:3 Densification kinetics, phase assemblage and hardness of spark plasma sintered Cu-10 wt% TiB2 and Cu-10 wt% TiB2-10 wt% Pb composites
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7:1:227:4 Fretting wear study of Cu-10 wt% TiB2 and Cu-10 wt% TiB2-10 wt% Pb composites
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7:1:227:5 Effects of in situ formation of TiB2 particles on age hardening behavior of Cu-1 wt% Ti-1 wt% TiB2
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7:1:227:6 Microstructure-hardness-fretting wear resistance correlation in ultrafine grained Cu-TiB2-Pb composites
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7:1:227:7 Synthesis and properties of a Cu-Ti-TiB2 composite hardened by multiple mechanisms
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7:1:228:1 Elastic and Anelastic Properties of Ferroelectric (SrTiO3)-O-18 in the kHz-MHz Regime
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7:1:228:2 Light Scattering by Microscopic Granular Ferroelectric Regions in (SrTiO3)-O-18 and Quantum Paraelectrics
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7:1:228:3 Symmetry of ferroelectric phase of (SrTiO3)-O-18 determined by ab initio calculations
DOI:10.1103/PhysRevB.83.064102 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Bartkowiak, M.;Kearley, G. J.;Yethiraj, M.;Mulders, A. M.;
7:1:228:4 Soft-phonon mode observation in Li2Ge4O9 phase above room temperature
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7:1:228:5 Formation of Grained Ferroelectric Domains in (SrTiO3)-O-18 Studied by Rayleigh - Mie Scattering
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7:1:228:6 Successive phase transformation in stoichiometric glassy Li2Ge4O9: Isothermal and nonisothermal study
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7:1:228:7 Why P in (SrTiO3)-O-18 is Not Parallel to [100](c) as Expected from the Slater Type Soft Mode?: Role of Rhombohedral Polar Clusters
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7:1:229:1 Cationic ordering, relaxation dynamics and polaron hopping in a new double perovskite oxide: BaPrCoTaO6
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7:1:229:2 Impedance spectroscopy analysis of double perovskite Ho2NiTiO6
DOI:10.1007/s10853-010-4771-2 JN:JOURNAL OF MATERIALS SCIENCE PY:2010 TC:9 AU: Mahato, Dev K.;Dutta, A.;Sinha, T. P.;
7:1:229:3 Synthesis, structure and dielectric properties of a rare earth double perovskite oxide Ba2CeTaO6
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7:1:229:4 Complex impedance analysis on a layered perovskite-like ceramic: La3Ti2TaO11
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7:1:229:5 Synthesis, Structural and Magnetic Studies of the Double Perovskites Ba2CeMO6 (M = Ta, Nb)
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7:1:229:6 Electrical properties and scaling behaviour of rare earth based Ho2CoZrO6 double perovskite ceramics
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7:1:230:1 Enhanced Temperature Stability of (1-aEuro parts per thousand x)(K0.5Na0.5)(0.94)Li0.06NbO3-x(Bi0.5Na0.5)TiO3 Lead-Free Piezoelectric Ceramics
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7:1:230:2 Microstructure, Phase Transition, and Electrical Properties of KxNa1-xNbO3 Lead-Free Piezoceramics
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7:1:230:3 Temperature Stability of V2O5-Doped KNN-LS-BF Lead-Free Piezoelectric Ceramics
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7:1:230:4 Effects of BiAlO3 on structure and electrical properties of K0.5Na0.5NbO3-LiSbO3 lead-free piezoceramics
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7:1:230:5 Enhancing Piezoelectric Performance of CaBi2Nb2O9 Ceramics Through Microstructure Control
DOI:10.1007/s11664-012-2051-4 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2012 TC:1 AU: Chen, Huanbei;Zhai, Jiwei;
7:1:231:1 Ferroelectricity in NaNbO3: Revisited
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7:1:231:2 Local atomic structure of KxNa(1-x)NbO3 by total x-ray diffraction
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7:1:231:3 Phase Analysis of Na1-xLixNbO3 Ceramics by Neutron and Its Electric Property
DOI:10.1080/00150193.2014.948792 JN:FERROELECTRICS PY:2014 TC:0 AU: Joo, H. W.;Chae, K. -W.;Cheon, C. I.;Kim, J. S.;Kim, S. J.;Choi, Y. N.;
7:1:231:4 Diffuse phase transition and electrical properties of lead-free piezoelectric (LixNa1-x)NbO3 (0.04 <= x <= 0.20) ceramics near morphotropic phase boundary
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7:1:231:5 Stress-induced phase transition and its reversal by low-temperature annealing in Li-doped sodium niobate
DOI:10.1016/j.matlet.2013.12.002 JN:MATERIALS LETTERS PY:2014 TC:2 AU: Joo, H. W.;Chae, K. -W.;Cheon, C. I.;Kim, J. S.;
7:1:232:1 Behavior of oxygen vacancies in single-crystal SrTiO3: Equilibrium distribution and diffusion kinetics
DOI:10.1103/PhysRevB.85.174109 JN:PHYSICAL REVIEW B PY:2012 TC:14 AU: De Souza, Roger A.;Metlenko, Veronika;Park, Daesung;Weirich, Thomas E.;
7:1:232:2 Electron paramagnetic resonance studies of manganese centers in SrTiO3: Non-Kramers Mn3+ ions and spin-spin coupled Mn4+ dimers
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7:1:232:3 Electron paramagnetic resonance probed oxygen deficiency in SrTiO3 with different cap layers
DOI:10.1063/1.4769786 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Chen, Y. S.;Guo, H. Y.;Yang, Jan Chi;Chu, Y. H.;Wu, W. F.;Lin, J. G.;
7:1:232:4 Pulse-electron paramagnetic resonance of Cr3+ centers in SrTiO3
DOI:10.1063/1.4804062 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Azamat, D. V.;Dejneka, A.;Lancok, J.;Trepakov, V. A.;Jastrabik, L.;Badalyan, A. G.;
7:1:233:1 First principles study of the responses to equibiaxial in-plane tensile stresses in tetragonal BaTiO3
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7:1:233:2 Structural characterisation of BaTiO3 thin films deposited on SrRuO3/YSZ buffered silicon substrates and silicon microcantilevers
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7:1:233:3 Molecular beam epitaxy growth of BaTiO3 thin films and crucial impact of oxygen content conditions on the electrical characteristics
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7:1:234:1:1 Advanced piezoelectric crystal Ca3TaGa3Si2O14: growth, crystal structure perfection, and acoustic properties
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7:1:234:1:2 The solid-solution region for the langasite-type Ca3TaGa3Si2O14 crystal as determined by a lever rule
DOI:10.1016/j.jcrysgro.2014.12.042 JN:JOURNAL OF CRYSTAL GROWTH PY:2015 TC:0 AU: Zhao, Hengyu;Uda, Satoshi;Maeda, Kensaku;Nozawa, Jun;Koizumi, Haruhiko;Fujiwara, Kozo;
7:1:234:1:3 Investigation of Ca3TaGa3Si2O14 piezoelectric crystals for high temperature sensors
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7:1:234:2:1 Diffraction of a focused x-ray beam from La3Ga5SiO14 crystal modulated by surface acoustic waves
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7:1:234:2:2 X-ray diffraction study of surface acoustic waves and pseudo-surface acoustic waves propagation in La3Ga5.5Ta0.5O14 crystal
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7:1:234:2:3 Piezoelectric La3Ga5.3Ta0.5Al0.2O14 crystal: growth, crystal structure perfection, piezoelectric, and acoustic properties
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7:1:234:2:4 X-ray diffraction on the X-cut of a Ca3TaGa3Si2O14 single crystal modulated by a surface acoustic wave
DOI:10.1063/1.4884875 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Irzhak, D.;Roshchupkin, D.;
7:1:235:1 A longitudinal (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) single-crystal piezoelectric transformer
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7:1:235:2 High-frequency PIN-PMN-PT single crystal ultrasonic transducer for imaging applications
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7:1:235:3 Preparation and characterization of (1-x)Pb(Lu1/2Nb1/2)O-3-xPbTiO(3) binary ferroelectric ceramics with high Curie temperature
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7:1:235:4 Dual-resonance converse magnetoelectric and voltage step-up effects in laminated composite of long-type 0.71Pb(Mg1/3Nb2/3)O-3-0.29PbTiO(3) piezoelectric single-crystal transformer and Tb0.3Dy0.7Fe1.92 magnetostrictive alloy bars
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7:1:235:5 Piezo-/dielectric properties of perovskite-structure high-temperature relaxor ferroelectrics: The Pb(Lu1/2Nb1/2)O-3-Pb(Zn1/3Nb2/3)O-3-PbTiO3 ternary ceramics
DOI:10.1016/j.materresbull.2013.12.025 JN:MATERIALS RESEARCH BULLETIN PY:2014 TC:0 AU: Li, Tao;Long, Xifa;
7:1:236:1 Ferroelectric ternary solid solution of Pb(Mg1/3Nb2/3)O-3-PbSnO3-PbTiO3 with morphotropic phase boundary
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7:1:236:2 Processing and Electrical Properties in Lead-Based (Pb(Mg1/3Nb2/3)O-3, Pb(Yb1/2Nb1/2)O-3, PbTiO3) Systems
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7:1:236:3 Fabrication and characterization of (Pb(Mg1/3Nb2/3)O-3, Pb(Yb1/2Nb1/2)O-3, PbTiO3) ternary system ceramics
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7:1:236:4 Dielectric and electromechanical properties of Mn-doped 0.2875 Pb(Mg1/3Nb2/3)O-3-0.2875 Pb(Yb1/2Nb1/2)O-3-0.425 PbTiO3 ceramics
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7:1:237:1 Structural and optoelectronic properties, and infrared spectrum of cubic BaSnO3 from first principles calculations
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7:1:237:2 Ordering and phonons in Ba3CaNb2O9 complex perovskite
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7:1:237:3 Dielectric properties of Ba3-xKxCaNb2O9-delta (0.5 < x < 1.25) (KBCN) double perovskites
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7:1:237:4 Investigations on the thermo-chemical stability and electrical conductivity of K-doped Ba3-xKxCaNb2O9-delta (x=0.5, 0.75, 1, 1.25)
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7:1:237:5 Specific features of band structure and optical anisotropy of Cu2CdGeSe4 quaternary compounds
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7:1:238:1 Magnetic and dielectric properties on sol-gel combustion synthesis of Pb(Zr-0.52, Ti0.43X0.05)O-3 (X = Fe, Ni, and Co) nanoparticles
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7:1:238:2 Dielectric and piezoelectric properties of PZT ceramics doped with strontium and lanthanum
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7:1:238:3 Structural, piezoelectric and dielectric properties of PSLZT-PMnN ceramics
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7:1:238:4 Characterization and ferroelectricity of Bi and Fe co-doped PZT films
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7:1:239:1 Effects of Mn doping on the structure and electrical properties of high-temperature BiScO3-PbTiO3-Pb(Zn1/3Nb2/3)O-3 piezoelectric ceramics
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7:1:239:2 Phase Transitions, Piezo- and Ferroelectric Properties of BiScO3-PbTiO3 Solid Solutions
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7:1:239:3 Influence of Complex Additives on Structure, Microstructure, Phase Transitions and Dielectric Properties of BiScO3-PbTiO3 Ceramics
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7:1:239:4 Influence of Complex Additives on Morphology, Phase Transitions, and Dielectric Properties of 0.36BiScO(3)-0.64PbTiO(3) Ceramics
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7:1:239:5 Effects of KCl Additives on Structure, Phase Transitions and Dielectric Properties of 0.36BiScO(3)-0.64PbTiO(3) Ceramics
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7:1:240:1 Strong variation of electrostrictive coupling near an intermediate temperature of relaxor ferroelectrics
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7:1:240:2 Strain-induced long range ferroelectric order and linear electro-optic effect in epitaxial relaxor thin films
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7:1:240:3 Electro-optic and dielectric properties of epitaxial Ph1-3X/2LaxZr0.2Ti0.8O3 thin films obtained by pulsed laser deposition
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7:1:240:4 Electrical and optical investigations on Pb1-3x/2LaxZr0.2Ti0.8O3 thin films obtained by radiofrequency assisted pulsed laser deposition
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7:1:241:1 Phase-field simulation of domain structures in epitaxial BiFeO3 films on vicinal substrates
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7:1:241:2 Phase-field simulation on the heteroepitaxial nucleation of (Fe,Co) solid solution on facet phase in undercooled liquid
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7:1:241:3 A phase field model of electrochemical impedance spectroscopy
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7:1:242:1 Growth of LiNb1-xTaxO3 solid solution crystals
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7:1:242:2 Residual stresses and clamped thermal expansion in LiNbO3 and LiTaO3 thin films
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7:1:242:3 Resolved E-symmetry zone-centre phonons in LiTaO3 and LiNbO3
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7:1:242:4 Vibrational Fingerprints of LiNbO3-LiTaO3 Mixed Crystals
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7:1:242:5 LiNb1-xTaxO3 Electronic Structure and Optical Response from First-Principles Calculations
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7:1:243:1 Improved electrical properties in La- and V-co-doped Na0.5Bi4.5Ti4O15 thin films
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7:1:243:2 Properties of La-substituted Na0.5Bi4.5Ti4O15 ferroelectric thin films
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7:1:243:3 Electrical Properties of V-Doped Na0.5Bi4.5Ti4O15 Thin Films Prepared by Chemical Solution Deposition
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7:1:243:4 Enhancement of Ferroelectricity in Neodymium- and Vanadium-Codoped Na(0.5)Bi(4.5)Ti(4)O(15) Thin Films
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7:1:244:1 Piezoelectric properties of pure and (Nb5+ + Fe3+) doped PZT ceramics
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7:1:244:2 Microstructure Development of PZT Ceramics by Doping with Small Amounts of Al2O3, SiO2, and Fe2O3
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7:1:244:3 Processing, structure, and electrical properties of MnO2-doped Pb(Yb1/2Nb1/2)(0.10)(Zr0.47Ti0.53)(0.90)O-3 ceramics
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7:1:244:4 Piezoelectric Properties and Domain Configurations of PZT Ceramic with NiO Addition
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7:1:244:5 Development of a model for the sintering of PZT multilayer ceramics and their dielectric properties
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7:1:245:1 The structural, dielectric, elastic, and piezoelectric properties of KNbO3 from first-principles methods
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7:1:245:2 Atomic sublattice decomposition of piezoelectric response in tetragonal PbTiO3, BaTiO3, and KNbO3
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7:1:245:3 First-principles investigations of ferroelectricity and piezoelectricity in BaTiO3/PbTiO3 superlattices
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7:1:245:4 Sulfur (anion) manipulated highly polar stable ferroelectric perovskite under epitaxial strain
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7:1:246:1 Large and electric field tunable superelasticity in BaTiO3 crystals predicted by an incremental domain switching criterion
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7:1:246:2 Electric-field-tunable mechanical properties of relaxor ferroelectric single crystal measured by nanoindentation
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7:1:246:3 Ultrahigh actuation strains in BaTiO3 and Pb(Mn1/3Nb2/3)O-3-PbTiO3 single crystals via reversible electromechanical domain switching
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7:1:247:1 Aliphatic copolyester with isomorphism in limited composition range
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7:1:247:2 Polymorphic Crystallization of Poly(butylene adipate) and Its Copolymer: Effect of Poly(vinyl alcohol)
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7:1:247:3 Critical role of the conformation of comonomer units in isomorphic crystallization of poly(hexamethylene adipate-co-butylene adipate) forming Poly(hexamethylene adipate) type crystal
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7:1:247:4 Fractionated Crystallization and Self-Nucleation Behavior of Poly(ethylene oxide) in Its Miscible Blends with Poly(3-hydroxybutyrate)
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7:1:247:5 Isomorphic crystallization of aliphatic copolyesters derived from 1,6-hexanediol: Effect of the chemical structure of comonorner units on the extent of cocrystallization
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7:1:248:1 Electric field-induced polarization rotation and ultrahigh piezoelectricity in PbTiO3
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7:1:248:2 Ferroelectric BaTiO3 single crystal under superstrong electric fields up to 55 MV/m: A comparative experimental and theoretical study
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7:1:248:3 First-principles study of high-field piezoelectricity in tetragonal PbTiO3
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7:1:248:4 Polarization rotation and piezoelectricity of electric field-induced monoclinic and triclinic structures in strained PbTiO3
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7:1:249:1 Thermal properties, magneto- and baro-caloric effects in La0.7Pb0.3MnO3 single crystal
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7:1:249:2 Hydrostatic pressure to trigger and assist magnetic transitions: Baromagnetic refrigeration
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7:1:249:3 Heat capacity and magnetocaloric effect in manganites (La1-yEuy)(0.7)Pb0.3MnO3 (y:0.2; 0.6)
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7:1:250:1 High Frequency PMN-PT 1-3 Composite Transducer for Ultrasonic Imaging Application
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7:1:250:2 Piezoelectric Properties of a Pioneering 3-1 Type PZT/Epoxy Composites Based on Freeze-Casting Processing
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7:1:250:3 Piezoelectric and mechanical properties of structured PZT-epoxy composites
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7:1:251:1 Effect of High-Energy Milling Process on Microstructure and Piezoelectric/Dielectric Properties of 0.99Pb(Zr0.53Ti0.47)O-3-0.01BiYO(3) Ceramic for Piezoelectric Energy Harvesting Devices
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7:1:251:2 The effect of polymer fill ratio in pillar structure for piezoelectric energy harvester
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7:1:251:3 Effect of La2O3 Modified on Pyroelectric Properties of 0.69Pb(Mg1/3Nb2/3)O-3-0.31PbTiO(3) Solid Solutions
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7:1:252:1 Evolution of microstructure and related properties of PbZr0.4Ti0.6O3 films on F-doped tin oxide with annealing temperature
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7:1:252:2 A Special Configuration of Lead Zirconate Titanate Multilayer Stack with Superior Electrical and Optical Properties
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7:1:252:3 Electrical and optical performance of PbZr0.4Ti0.6O3 optical microcavity derived from one single chemical solution
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7:1:253:1 Enhanced piezoelectric response of BaTiO3-KNbO3 composites
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7:1:253:2 Enhanced piezoelectric properties of barium titanate-potassium niobate nano-structured ceramics by MPB engineering
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7:1:253:3 Solvothermal preparation of potassium niobate/barium titanate nanocomplex ceramics with three dimensional network-configuration of structure-gradient region and their dielectric properties
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7:1:254:1 Effect of Cu or Co addition on beta-FeSi2 growth by molten salt method
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7:1:254:2 Distribution of Elements in a Cu-Added FeSi2 Alloy Under Peritectoid and Eutectoid Reactions
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7:1:254:3 Preparation of Co-Added beta-FeSi2 by Cation-Exchange Reaction between Molten Salts and Si
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7:1:255:1 Coherency strain enhanced dielectric-temperature property of rare-earth doped BaTiO3
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7:1:255:2 The Mechanism of Core/Shell Structure Formation During Sintering of BaTiO3-Based Ceramics
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7:1:255:3 Effect of MgO and Y2O3 Doping on the Formation of Core-Shell Structure in BaTiO3 Ceramics
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7:1:256:1 Preparation of Bi3.15Dy0.85(Ti3-xFex)O-12(x=0-0.3) Ceramics and Their Electrical Properties
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7:1:256:2 Powder Preparation and Piezoelectric Properties Research of Bi-0.5(Na0.82K0.18)(0.5)TiO3-BiFeO3 Lead Free Ceramics
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7:1:256:3 Preparation of Bi4Ti3O12 nanopower by azeotropic co-precipitation and dielectric properties of the sintered ceramic
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7:1:257:1 Influence of Mn-doping on phase transition characteristics and relaxor behaviour of lead lanthanum zirconate titanate ceramics
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7:1:257:2 Effect of Mn-acceptor dopant on dielectric and piezoelectric responses of lead lanthanum zirconate titanate piezoceramics
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7:1:257:3 Effect of Mn doping on structures and properties of chemical solution deposited lead zirconate titanate thick films with (100) preferential orientation
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7:1:258:1 Spark plasma sintering of microwave processed nanocrystalline barium titanate and their characterisations
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7:1:258:2 Microwave assisted synthesis of barium zirconium titanate nanopowders
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7:1:258:3 Combined effects of milling and calcination methods on the characteristics of nanocrystalline barium titanate
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7:1:259:1 Influence of Compressive Stress on Dielectric and Ferroelectric Properties of the Na0.5K0.5NbO3, Na0.5K0.5(Nb0.94Sb0.06)O-3 and Na0.5K0.5(Nb0.94Sb0.06)O-3+0.5mol% MnO2 Ceramics
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7:1:259:2 Uniaxial stress dependence of the dielectric properties in the Na0.5Bi0.5TiO3-NaTaO3 system
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7:1:260:1 Effect of oxygen sintering on the structural and electrical properties of KNN ceramics
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7:1:260:2 Synthesis, Characterization and Multiferroic Properties of Ni0.5Zn0.5Fe2O4-K0.5Na0.5NbO3 Nanocomposites
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7:1:262:2 Ab initio calculations for the tetragonal PbZr0.5Ti0.5O3
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7:1:263:1 Electrocaloric Effect in Na1/2Bi1/2TiO3-SrTiO3-PbTiO3 Solid Solutions
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7:1:263:2 Phase Transitions in Na1/2Bi1/2TiO3-SrTiO3-PbTiO3 Solid Solutions
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7:1:264:1 Quantitative Description of the Diffuse Phase Transition of BNT-NKN Ceramics
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7:1:264:2 Electrostrictive and relaxor ferroelectric behavior in BiAlO3-modified BaTiO3 lead-free ceramics
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7:2:1:1 Effect of Eu substitution on the crystal structure and multiferroic properties of BiFeO3
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7:2:1:2 Effects of microwave sintering power on microstructure, dielectric, ferroelectric and magnetic properties of bismuth ferrite ceramics
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7:2:1:3 Microstructure and properties of Co-, Ni-, Zn-, Nb- and W-modified multiferroic BiFeO3 ceramics
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7:2:1:5 Effect of La doping on dielectric properties of BiFe0.95Mn0.05O3 multiferroics
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7:2:1:6 Multiferroic behavior in glass-crystal nanocomposites containing Te2NiMnO6
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7:2:1:7 Enhanced magnetic and dielectric properties of Eu and Co co-doped BiFeO3 nanoparticles
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7:2:1:9 Structure, ferroelectric/magnetoelectric properties and leakage current density of (Bi0.85Nd0.15)FeO3 thin films
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7:2:1:10 Microstructure, dielectric and ferroelectric properties of xBaZr(0.2)Ti(0.8)O(3)-(1-x)BiFeO3 solid solution ceramics
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7:2:1:11 Structure, Ferroelectric, Piezoelectric, and Ferromagnetic Properties of BiFeO3-BaTiO3-Bi0.5Na0.5TiO3 Lead-Free Multiferroic Ceramics
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7:2:1:12 Enhanced multiferroic properties and domain structure of La-doped BiFeO3 thin films
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7:2:1:13 BiFeO3: A Review on Synthesis, Doping and Crystal Structure
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7:2:1:14 Structural and multiferroic properties of the Ce-doped BiFeO3 thin films
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7:2:1:16 Effects of Mn doping on multiferroic and magnetocapacitive properties of 0.33Ba(0.70)Ca(0.30)TiO(3)-0.67BiFeO(3) diphasic ceramics
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7:2:1:17 Charge defects and highly enhanced multiferroic properties in Mn and Cu co-doped BiFeO3 thin films
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7:2:1:18 Effect of A site and B site doping on structural, thermal, and dielectric properties of BiFeO3 ceramics
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7:2:1:19 Structural, electrical, and magnetic properties of multiferroic Bi1-xLaxFe1-yCoyO3 thin films
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7:2:1:20 Enhanced ferroelectricity, piezoelectricity, and ferromagnetism in Nd-modified BiFeO3-BaTiO3 lead-free ceramics
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7:2:1:21 Single phase, electrically insulating, multiferroic La-substituted BiFeO3 prepared by mechanosynthesis
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7:2:1:22 Structural transformation and multiferroic properties of single-phase Bi0.89Tb0.11Fe1-xMnxO3 thin films
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7:2:1:23 The magnetic properties of La doped and codoped BiFeO3
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7:2:1:24 Study on pure and Nd-doped BiFeO3 thin films prepared by chemical solution deposition method
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7:2:1:25 Modifications in the rhombohedral degree of distortion and magnetic properties of Ba-doped BiFeO3 as a function of synthesis methodology
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7:2:1:26 Dielectric, magnetic, and magnetoelectric properties of La and Ti codoped BiFeO3
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7:2:1:27 Effect of bivalent Co ion doping on electric properties of Bi0.85Nd0.15FeO3 thin film
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7:2:1:28 Improved Structure Stability and Multiferroic Characteristics in CaTiO3-Modified BiFeO3 Ceramics
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7:2:1:29 Crystal structure and magnetic property of Nd doped BiFeO3 nanocrytallites
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7:2:1:30 Theoretical and experimental evidence of enhanced ferromagnetism in Ba and Mn cosubstituted BiFeO3
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7:2:1:31 Structure and multiferroic properties of Sr substituted Bi0.89-xSm0.11SrxFe0.94(Mn0.04Cr0.02)O-3 thin films
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7:2:1:32 Investigations on the properties of pure and rare earth modified bismuth ferrite ceramics
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7:2:1:34 Enhancement in magnetic and dielectric properties of La and Pr co substituted BiFeO3
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7:2:1:36 Magnetic properties of La and (La, Zr) doped BiFeO3 ceramics
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7:2:1:39 Enhanced ferromagnetism of cluster-assembled BiFeO3 nanostructured films
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7:2:1:40 Nonmagnetic Fe-site doping of BiFeO3 multiferroic ceramics
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7:2:1:42 Enhancement of ferromagnetic and dielectric properties in lanthanum doped BiFeO3 by hydrothermal synthesis
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7:2:1:43 Structural, electronic and optical properties of BiFeO3 studied by first-principles
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7:2:1:44 Effect of Ni substitution on the crystal structure and magnetic properties of BiFeO3
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7:2:1:45 Effect of La3+ substitution on the phase transitions, microstructure and electrical properties of Bi1-xLaxFeO3 ceramics
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7:2:1:46 Structure transition and enhanced multiferroic properties of Dy-doped BiFeO3
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7:2:1:47 Enhanced ferroelectric and ferromagnetic performance of 2-2 type (Bi,Eu)(Fe,Mn)O-3/CoFe2O4 bilayered thin film
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7:2:1:48 Structural Transition and Multiferroic Properties of Eu-Doped BiFeO3 Thin Films
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7:2:1:50 Structural transitions and enhanced ferroelectricity in Ca and Mn co-doped BiFeO3 thin films
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7:2:1:53 Effect of Ho3+ doping on the electric, dielectric, ferromagnetic properties and T-C of BiFeO3 ceramics
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7:2:1:55 Optical, ferroelectric and magnetic properties of multiferroelectric BiFeO3-(K0.5Na0.5)(0.4)(Sr0.6Ba0.4)(0.8)Nb2O6 thin films
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7:2:1:56 Effect of Sm, Co codoping on the dielectric and magnetoelectric properties of BiFeO3 polycrystalline ceramics
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7:2:1:59 Preparation and properties of (1-x)BiFeO3-xBaTiO3 multiferroic ceramics
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7:2:1:60 Energy levels and photoluminescence properties of nickel-doped bismuth ferrite
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7:2:1:61 Multiferroic and magnetoelectric properties of single-phase Bi0.85La0.1Ho0.05FeO3 ceramics
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7:2:1:90 Structural, electric and multiferroic properties of Sm-doped BiFeO3 thin films prepared by the sol-gel process
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7:2:1:91 Structural, vibrational, optical, magnetic and dielectric properties of Bi1-xBaxFeO3 nanoparticles
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7:2:1:109 Solid solutions of La-doped BiFeO3 obtained by the Pechini method with improvement in their properties
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7:2:1:136 Optimization of the multiferroic BiFeO3 thin films by divalent ion (Mn, Ni) co-doping at B-sites
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7:2:1:137 Structural, dielectric, magnetic, magnetodielectric and impedance spectroscopic studies of multiferroic BiFeO3-BaTiO3 ceramics
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7:2:1:142 Effect of Ba doping on magnetic and dielectric properties of nanocrystalline BiFeO3 at room temperature
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7:2:1:143 Pyroelectric properties and electrical conductivity in samarium doped BiFeO3 ceramics
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7:2:1:144 In situ magnetic annealing effects on multiferroic Mn-doped BiFeO3 thin films
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7:2:1:147 Nonstoichiometric BiFe0.9Ti0.05O3 multiferroic ceramics with ultrahigh electrical resistivity
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7:2:1:151 Effects of La content on the magnetic, electric and structural properties of BiFeO3
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7:2:1:152 Multiferroic properties of Tb-doped BiFeO3 nanowires
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7:2:1:153 Structural, morphological and multiferroic properties of Pr and Co co-substituted BiFeO3 nanoparticles
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7:2:1:154 Structural, optical and magnetic properties of BiFe1-xCoxO3 thin films
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7:2:1:155 Effect of Nb substitution on the structural, dielectric and magnetic properties of multiferroic BiFe1-xNbxO3 ceramics
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7:2:1:156 Effects of ion-doping at different sites on multiferroic properties of BiFeO3 thin films
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7:2:1:157 Structure and multiferroic properties of Eu-substituted BiFeO3 ceramics
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7:2:1:158 Structural and electric properties of polycrystalline Bi1-xErxFeO3 ceramics
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7:2:1:159 Structural and ferroelectric properties of chemical solution deposited (Nd, Cu) co-doped BiFeO3 thin film
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7:2:1:160 Effect of Eu, Ti co-doping on the structural and multiferroic properties of BiFeO3 ceramics
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7:2:1:161 Compositional dependence of dielectric and ferroelectric properties in BiFeO3-BaTiO3 solid solutions
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7:2:1:162 High stable dielectric permittivity and low dielectric loss in sol-gel derived BiFeO3 thin films
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7:2:1:163 Multiferroic properties and converse magnetoelectric effect in Bi1-xCaxFeO3 ceramics
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7:2:1:165 Particle size dependent magnetic properties and phase transitions in multiferroic BiFeO3 nano-particles
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7:2:1:166 Multiferroic properties of Y-doped BiFeO3
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7:2:1:168 Structural phase transition and thermal expansion in Bi1-2.5xPr1.5xBaxFeO3 ceramics
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7:2:1:169 Observation of high coercivity in multiferroic lanthanum doped BiFeO3
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7:2:1:170 Evidences of magneto-electric coupling in BFO-BT solid solutions
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7:2:1:171 Study of structural, electrical, magnetic and optical properties of 0.65BaTiO(3)-0.35Bi(0.5)Na(0.5)TiO(3)-BiFeO3 multiferroic composite
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7:2:1:172 Effects of Dy and Mn Codoping on Ferroelectric Properties of BiFeO3 Thin Films
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7:2:1:173 Size and Lone Pair Effects on the Multiferroic Properties of Bi(0.75)A(0.25)FeO(3-delta) (A = Sr, Pb, and Ba) Ceramics
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7:2:1:174 Influence of Zr doping on the structure and ferroelectric properties of BiFeO3 thin films
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7:2:1:175 Cluster spin glass behavior in Bi(Fe0.95Co0.05)O-3
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7:2:1:177 Effect of Y-doping on the electrical transport properties of nanocrystalline BiFeO3
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7:2:1:178 Magnetic enhancement across a ferroelectric-antiferroelectric phase boundary in Bi1-xNdxFeO3
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7:2:1:179 Structural and multiferroic properties of Bi1-xInxFeO3 (0 <= x <= 0.20) nanoparticles
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7:2:1:180 Enhanced ferromagnetic properties in Ho and Ni co-doped BiFeO3 ceramics
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7:2:1:182 The study of BiCrxFe1-xO3 thin films synthesized by sol-gel technique
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7:2:1:183 Mn-Substitution Effect on Thermal Conductivity of Delafossite-Type Oxide CuFeO2
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7:2:1:184 Magnetic and dielectric properties of alkaline earth Ca2+ and Ba2+ ions co-doped BiFeO3 nanoparticles
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7:2:1:185 Ce-doped bismuth ferrite thin films with improved electrical and functional properties
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7:2:1:186 Enhanced magnetic and magnetoelectric properties of In and Co codoped BiFeO3 nanoparticles at room temperature
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7:2:1:187 Structural and magnetic properties of Er-doped BiFeO3 nanoparticles
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7:2:1:188 Room-temperature magnetic studies of La-modified BiFeO3 ceramic
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7:2:1:189 Structural, magnetic and optical properties of Bi1-xDyxFeO3 nanoparticles synthesized by sol-gel method
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7:2:1:191 Structural, magnetic and optical properties of Ho-Co codoped BiFeO3 nanoparticles
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7:2:1:192 The superior multiferroic properties of Bi0.85Nd0.15Fe0.98Mn0.02O3/CoFe2O4 heterostructure thin film at room temperature
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7:2:1:193 The oxygen permeation characteristics of Bi-1 (-) xSrxFeO3 mixed ionic and electronic conducting ceramics
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7:2:1:194 Large and stable piezoelectric response in Bi0.97Nd0.03FeO3 thin film
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7:2:1:195 Effects of (Dy, Zn) co-doping on structural and electrical properties of BiFeO3 thin films
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7:2:1:196 Evidence of spin-two phonon coupling and improved multiferroic behavior of Bi1-xDyxFeO3 nanoparticles
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7:2:1:197 Effect of Sm-Substitution on Structural, Electrical and Magnetic Properties of BiFeO3
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7:2:1:198 Effect of Sintering Temperature on the Microstructures and Ferroelectric Properties of Bismuth Ferrite Ceramics
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7:2:1:199 Multiferroic properties of BiFeO3 doped Bi(MgTi)O-3-PbTiO3 ceramic system
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7:2:1:200 Processing and characterization of Sr doped BiFeO3 multiferroic materials by high energetic milling
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7:2:1:201 Multiferroic properties in BiFe1-xZnxO3 (x=0.1-0.2) ceramics by solution combustion method ( SCM)
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7:2:1:202 Enhanced magnetocapacitance sensitivity in BiFeO3-poly(vinylidene-fluoride) hot pressed composite films
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7:2:1:203 Exploring the dielectric behaviour of nano-structured Al3+ doped BiFeO3 ceramics synthesized by auto ignition process
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7:2:1:205 Enhanced Room Temperature Multiferroic Properties of (Bi0.95La0.05)(Fe0.97Mn0.03)O3/CoFe2O4 and CoFe2O4/(Bi0.95La0.05)(Fe0.97Mn0.03)O3 Double-Layered Thin Films
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7:2:1:206 Multiferroic properties of Bi0.9Gd0.1Fe0.9Mn0.1O3 thin film
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7:2:1:207 Structural, magnetic, and optical properties of Pr and Zr codoped BiFeO3 multiferroic ceramics
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7:2:1:208 High temperature magnetic behavior of multiferroics Bi1-xCaxFeO3
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7:2:1:209 Ferroelectric and magnetic properties of magnetoelectric (Na0.5Bi0.5)TiO3-BiFeO3 synthesized by acetic acid assisted sol-gel method
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7:2:1:210 Defect driven multiferroicity in Gd doped BiFeO3 at room temperature
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7:2:1:211 Structural distortion and room-temperature ferromagnetization of Co-doped and (Eu, Co)-codoped BiFeO3 nanoparticles
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7:2:1:212 Effect of Pr substitution on structural and electrical properties of BiFeO3 ceramics
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7:2:1:213 Structural and electrical properties of Sm-substituted BiFeO3 thin films prepared by chemical solution deposition
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7:2:1:214 Tuning of dielectric and ferroelectric properties in single phase BiFeO3 ceramics with controlled Fe2+/Fe3+ ratio
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7:2:1:215 Preparation of multiferroic Co substituted BiFeO3 with enhanced coercive force and its application in sorption removal of dye molecules from aqueous solution
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7:2:1:216 Effects of local structural distortion on magnetization in BiFeO3 with Pr, Ba co-doping
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7:2:1:217 Ba and Ti co-doped BiFeO3 thin films via a modified chemical route with synchronous improvement in ferroelectric and magnetic behaviors
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7:2:1:218 Phase transformation, improved ferroelectric and magnetic properties of (1-x) BiFeO3-xPb(Zr0.52Ti0.48)O-3 solid solutions
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7:2:1:219 The multiferroic properties of polycrystalline Bi1-xYxFeO3 films
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7:2:1:220 Effect of Ho substitution on structure and magnetic properties of BiFeO3
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7:2:1:221 Effect of Co substitution on the magnetic properties of BiFeO3
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7:2:1:222 Study on Mn-induced Jahn-Teller distortion in BiFeO3 thin films
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7:2:1:223 Unusual magnetic behaviors and electrical properties of Nd-doped BiFeO3 nanoparticles calcined at different temperatures
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7:2:1:224 Enhanced electric and magnetic properties in Ce-Cr co-doped bismuth ferrite nanostructure
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7:2:1:225 Synthesis and characterization of Bi2Fe4O9 powders
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7:2:1:226 Enhanced magnetoelectric sensitivity in Co0.7Zn0.3Fe2O4-Bi0.9La0.1FeO3 nanocomposites
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7:2:1:227 Enhancement of magnetization and dielectric properties of chromium-doped BiFeO3 with tunable morphologies
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7:2:1:228 Preparation, structural and magnetic studies on BiFe1-xCrxO3 (x=0.0, 0.05 and 0.1) multiferroic nanoparticles
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7:2:1:229 Structural, optical, and multiferroic properties of single phased BiFeO3
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7:2:1:230 Experimental and theoretical evidence of enhanced ferromagnetism in sonochemical synthesized BiFeO3 nanoparticles
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7:2:1:231 Structural, magnetic and photocatalytic properties of Sr2+-doped BiFeO3 nanoparticles based on an ultrasonic irradiation assisted self-combustion method
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7:2:1:232 High temperature dielectric and magnetic response of Ti and Pr doped BiFeO3 ceramics
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7:2:1:233 Structural and electrical properties of sol-gel-derived Al-doped bismuth ferrite thin films
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7:2:1:234 Effect of Mn doping on multiferroic properties in Bi0.8Ba0.2FeO3 ceramics
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7:2:1:235 Phase formation, microstructure and magnetic properties of (1-x)BiFeO3- (x)(0.9Pb(Mg1/3Nb2/3)O-3-0.1PbTiO(3)) system
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7:2:1:236 Structural, dielectric and impedance spectroscopy studies in (Bi0.90R0.10)Fe0.95Sc0.05O3 [R = La, Nd] ceramics
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7:2:1:237 Enhanced Magnetic and Electric Properties of Nanocrystalline Ce Modified BFO Thin Films
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7:2:1:238 Coexistence of room temperature ferroelectricity and ferrimagnetism in multiferroic BiFeO3-Bi0.5Na0.5TiO3 solid solution
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7:2:1:239 Anomalous dielectric response with suppression in Neel temperature of Bi0.9Y0.1Fe1-xMnxO3 (0 <= x <= 0.07) ceramics
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7:2:1:240 Magnetic properties and local structure of the binary elements codoped Bi1-xLaxFe0.95Mn0.05O3
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7:2:1:241 Hydrothermal Synthesis of Perovskite BiFeO3-BaTiO3 Crystallites
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7:2:1:242 Highly textured Sr, Nb co-doped BiFeO3 thin films grown on SrRuO3/Si substrates by rf- sputtering
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7:2:1:243 Phase transformation, dielectric and magnetic properties of Nb doped Bi0.8Sr0.2FeO3 multiferroics
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7:2:1:244 Effect of La substitution on structure and magnetic properties of sol-gel prepared BiFeO3
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7:2:1:245 Enhanced magnetization and improved insulating character in Eu substituted BiFeO3
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7:2:1:246 Multiferroic properties in Zn and Ni co-doped BiFeO3 ceramics by solution combustion method (SCM)
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7:2:1:247 Magnetoelectric coupling in multiferroic Tb-doped BiFeO3 nanoparticles
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7:2:1:248 Electron spin resonance probed enhanced magnetization and optical properties of Sm doped BiFeO3 nanoparticles
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7:2:1:249 Improved ferroelectric and fatigue properties in Ho doped BiFeO3 thin films
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7:2:1:250 The magnetic properties of Bi0.9Ba0.1Fe0.81M0.09Ti0.1O3 solid solutions (M = Co, Mn, Sc, Al)
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7:2:1:251 Enhancement of ferromagnetic and dielectric properties of lanthanum doped bismuth ferrite nanostructures
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7:2:1:252 Magnetic, electrical and structural characterization of BiFeO3 nanoparticles synthesized by co-precipitation
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7:2:1:253 Studies on electrical and multiferroic properties of chemical solution deposited (Bi0.95La0.05)(Fe0.97Cr0.03)O-3/CoFe2O4 double layered thin film capacitors
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7:2:1:254 Effects of external magnetic field on the morphology and magnetic property of BiFeO3 particles prepared by hydrothermal synthesis
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7:2:1:255 Effect of non-magnetic doping on leakage and magnetic properties of BiFeO3 thin films
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7:2:1:256 Dielectric and Magnetic properties of (1-x)BiFeO3-xBa(0.8) Sr0.2TiO3 ceramics
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7:2:1:257 Electrical properties of chemical solution deposited (Bi0.9RE0.1)(Fe0.975Cu0.025)O3-delta (RE = Ho and Tb) thin films
DOI:10.1016/j.ceramint.2012.10.060 JN:CERAMICS INTERNATIONAL PY:2013 TC:5 AU: Kim, Jin Won;Raghavan, Chinanmbedu Murugesan;Kim, Youn-Jang;Oak, Jeong-Jung;Kim, Hae Jin;Kim, Won-Jeong;Kim, Myong Ho;Song, Tae Kwon;Kim, Sang Su;
7:2:1:258 Piezoresponse force microscopy characterization of rare-earth doped BiFeO3 thin films grown by the soft chemical method
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7:2:1:259 Structure and Electromagnetic Properties of Bi1-xYxFe0.95Mn0.05O3 (x=0.05, 0.075 and 0.10)
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7:2:1:260 Study of A-site and B-site Doping on Multiferroic Properties of BFO Thin Films
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7:2:1:261 Frequency-temperature response of Pb(Zr0.65-xCexTi0.35)O-3 ferroelectric ceramics: Impedance spectroscopic studies
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7:2:1:262 Room temperature multiferroicity in Bi rich Fe deficient Gd doped Bi1.2Gd0.1Fe0.8O3
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7:2:1:263 Magneto-electric properties of Nd substituted BiFeO3 polycrystalline samples
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7:2:1:264 Experimental and numerical investigation of dielectric resonator antenna based on the BiFeO3 ceramic matrix added with Bi2O3 or PbO
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7:2:1:265 Fabrication, magnetic, and ferroelectric properties of multiferroic BiFeO(3) hollow nanoparticles
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7:2:1:266 Structural transition and enhanced magnetization in Bi1-xYxFeO3
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7:2:1:267 Nonmonotonic variation of magnetization in Bi0.8La0.2-xPbxFeO3 (0 <= x <= 0.2) multiferroics
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7:2:1:268 Effect of Tb-Mn substitution on the magnetic and electrical properties of SiFeO3 ceramics
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7:2:1:269 Magnetoelectric investigations in La-modified bismuth layered ferroelectromagnetics
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7:2:1:270 Enhancing the magnetic characteristics of BiFeO3 nanoparticles by Ca, Ba co-doping
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7:2:1:271 Investigation of the dielectric relaxation processes in PbZr0.65Ti0.35O3-BaFe12O19 multiferroic ceramic composites
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7:2:1:272 Structural, electrical and magnetic properties of Bi0.825Pb0.175FeO3, and Bi0.725La0.1Pb0.175FeO3 multiferroics
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7:2:1:273 Effect of particle size on multiferroism of barium-doped bismuth ferrite nanoparticles
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7:2:1:274 Positive and negative exchange bias in IrMn/NiFe bilayers
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7:2:1:275 The effects of Mn doping on the optical properties of chemically deposited BiFeO3 thin films
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7:2:1:276 Impedance spectroscopy of Gd-doped BiFeO3 multiferroics
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7:2:1:277 Effects of Ni doping on ferroelectric and ferromagnetic properties of Bi0.75Ba0.25FeO3
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7:2:1:278 Structure, ferroelectric, piezoelectric and ferromagnetic properties of BiFeO3-Ba0.85Ca0.15Ti0.90Zr0.10O3 lead-free multiferroic ceramics
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7:2:1:279 Multiferroic Properties of Rare-Earth Eu and Nd Doped BiFeO3 Thin Films
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7:2:1:280 Enhanced ferroelectric properties in BiFe0.95Mn0.05O3 thin films
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7:2:1:281 The Synthesis of Pure-Phase Bismuth Ferrite in the Bi-Fe-O System Under Hydrothermal Conditions without a Mineralizer
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7:2:1:282 Bilayered BiFe0.95Mn0.05O3/Bi0.90La0.10FeO3 Thin Films with Low Ferroelectric Coercivity and Large Remanent Polarization
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7:2:1:283 Structural, dielectric, ferroelectric and piezoresponse force microscopy characterizations of bilayered Bi0.9Dy0.1FeO3/K0.5Na0.5NbO3 lead-free multiferroic films
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7:2:1:284 Multiferroism and magnetoelectric coupling in (PbZr0.65Ti0.35O3)(0.97)-(BaFe12O19)(0.03) ceramic composites
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7:2:1:285 Magnetic field annealing effects on self-oriented BiFeO3 thin films prepared by chemical solution deposition
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7:2:1:286 Structural transition, magnetic and optical properties of Pr and Ti co-doped BiFeO3 ceramics
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7:2:1:287 Synthesis, and study of magnetic properties, of Bi1-x Cd (x) FeO3
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7:2:1:288 Synthesis, Characterization, and Self-Organization of Dendrimer-Encapsulated HgTe Quantum Dots
DOI:10.1021/la100866z JN:LANGMUIR PY:2010 TC:18 AU: Priyam, Amiya;Blumling, Daniel E.;Knappenberger, Kenneth L., Jr.;
7:2:1:289 Effect of structural transition on magnetic and dielectric properties of La and Mn co-substituted BiFeO3 ceramics
DOI:10.1016/j.matchemphys.2014.09.007 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2014 TC:3 AU: Kumar, Pawan;Kar, Manoranjan;
7:2:1:290 Structural and pyroelectric properties of sol-gel derived multiferroic BFO thin films
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7:2:1:291 Multiferroic Bi(0.7)Dy(0.3)FeO(3) thin films directly integrated on Si for integrated circuit compatible devices
DOI:10.1016/j.tsf.2010.05.060 JN:THIN SOLID FILMS PY:2010 TC:7 AU: Prashanthi, K.;Chalke, B. A.;Bapat, R. D.;Purandare, S. C.;Palkar, V. R.;
7:2:1:292 Mn4+:BiFeO3/Zn2+:BiFeO3 bilayered thin films of (1 1 1) orientation
DOI:10.1016/j.apsusc.2011.03.095 JN:APPLIED SURFACE SCIENCE PY:2011 TC:10 AU: Wu, Jiagang;Wang, John;Xiao, Dingquan;Zhu, Jianguo;
7:2:1:293 Enhancement of electrical properties of (Gd, V) co-doped BiFeO3 thin films prepared by chemical solution deposition
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7:2:1:294 Effects of Nd and Co co-doping on phase, microstructure and ferromagnetic properties of bismuth ferrite ceramics
DOI:10.1016/j.ceramint.2012.10.072 JN:CERAMICS INTERNATIONAL PY:2013 TC:2 AU: Lawita, Pornchanok;Siriprapa, Pasinee;Watcharapasorn, Anucha;Jiansirisomboon, Sukanda;
7:2:1:295 Reduced leakage current of multiferroic BiFeO3 ceramics with microwave synthesis
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7:2:1:296 Structure analysis and multiferroic properties of Zr4+ doped BiFeO3 ceramics
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7:2:1:297 Effects of Process Parameter and Excess Bi2O3 on Phase Formation and Electrical Properties of BiFeO3 Ceramics
DOI:10.1080/00150193.2013.842778 JN:FERROELECTRICS PY:2013 TC:0 AU: Sanjoom, Kachaporn;Rujijanagul, Gobwute;
7:2:1:298 Study of Dielectric and Ferroelectric Properties of Multiferroic BiCoxFe1-xO3 Ceramic
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7:2:1:299 Structural and optical properties of manganese substituted nanocrystalline bismuth ferrite thin films by sol-gel process
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7:2:1:300 Ethanol-Assisted Hydrothermal Synthesis and Characterization of BiFeO3 Nanopowders
DOI:10.1111/jace.12296 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:3 AU: Chen, Zhiwu;Wu, Yongpeng;Hu, Jianqiang;
7:2:1:301 Study of structural, ferromagnetic and ferroelectric properties of nanostructured barium doped Bismuth Ferrite
DOI:10.1016/j.jmmm.2013.09.049 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:3 AU: Chaudhuri, A.;Mandal, K.;
7:2:1:302 Annealing-induced changes in the nanoscale electrical homogeneity of bismuth ferrite dielectric thin films
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7:2:1:303 Electrical behavior of Bi0.95Nd0.05FeO3 thin films grown by the soft chemical method
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7:2:1:304 Sol-gel synthesis of Co-doped LiMn2O4 with improved high-rate properties for high-temperature lithium batteries
DOI:10.1016/j.ceramint.2013.09.076 JN:CERAMICS INTERNATIONAL PY:2014 TC:5 AU: Wang, Zhenjie;Du, Junlin;Li, Zhilin;Wu, Zhu;
7:2:1:305 Structural and Electrical Characterization of La and Mn Co-Substituted Bismuth Ferrite Thin Films
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7:2:1:306 Electrical Properties of (Bi0.9Ho0.1)(Fe0.975Cr0.025)O-3 Thin Films Prepared by Using a Chemical Solution Deposition
DOI:10.1080/10584587.2012.741420 JN:INTEGRATED FERROELECTRICS PY:2012 TC:0 AU: Kim, H. J.;Kim, J. W.;Kim, W. -J.;Kim, M. H.;Song, T. K.;Kim, S. S.;
7:2:1:307 Reduced leakage current in BiFeO3-BiCrO3 nanocomposite films formed by chemical solution deposition
DOI:10.1063/1.3467965 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Singh, Sushil K.;Shanthy, S.;Ishiwara, H.;
7:2:1:308 Correlation of spin and structure in doped bismuth ferrite nanoparticles
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7:2:1:309 Evidence of magnetoelectric coupling on calcium doped bismuth ferrite thin films grown by chemical solution deposition
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7:2:1:310 Effect of 8 MeV Si ions irradiation and thermal annealing in ZnO thin films
DOI:10.1016/j.jcrysgro.2012.05.038 JN:JOURNAL OF CRYSTAL GROWTH PY:2012 TC:1 AU: Hernandez-Socorro, D. R.;Montiel-Gonzalez, Z.;Rodil-Posada, S. E.;Flores-Morales, L.;Cruz-Manjarrez, H.;Hernandez-Alcantara, J. M.;Rodriguez-Fernandez, L.;
7:2:1:311 Room temperature ferroelectricity of YCrO3 thin films on Rh single crystals
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7:2:1:312 Enhancement of magnetic and ferroelectric behaviour in (Ca, Co) co-doped HoMnO3 multiferroics
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7:2:1:313 Preparation and characterization of Zr4+-doped BiFeO3 ceramics
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7:2:1:314 Structural, magnetic and dielectric properties of Bi1-ySryFe(1-y)(1-x)Sc(1-y)xTiyO3 (x=0-0.2, y=0.1-0.3) ceramics
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7:2:1:315 The influence of nanoparticle size on the magnetostrictive properties of cluster-assembled Tb-Fe nanofilms
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7:2:1:316 V-doping effects on ferroelectric properties of K0.5Bi4.5Ti4O15 thin films
DOI:10.1016/j.tsf.2010.02.001 JN:THIN SOLID FILMS PY:2010 TC:4 AU: Kim, Jin Won;Do, Dalhyun;Kim, Sang Su;
7:2:2:1 Strain-induced isosymmetric phase transition in BiFeO3
DOI:10.1103/PhysRevB.81.054109 JN:PHYSICAL REVIEW B PY:2010 TC:103 AU: Hatt, Alison J.;Spaldin, Nicola A.;Ederer, Claude;
7:2:2:2 Low-Symmetry Monoclinic Phases and Polarization Rotation Path Mediated by Epitaxial Strain in Multiferroic BiFeO3 Thin Films
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7:2:2:3 Stress-induced R-M-A-M-C-T symmetry changes in BiFeO3 films
DOI:10.1103/PhysRevB.83.144107 JN:PHYSICAL REVIEW B PY:2011 TC:70 AU: Christen, H. M.;Nam, J. H.;Kim, H. S.;Hatt, A. J.;Spaldin, N. A.;
7:2:2:4 First-principles predictions of low-energy phases of multiferroic BiFeO3
DOI:10.1103/PhysRevB.83.094105 JN:PHYSICAL REVIEW B PY:2011 TC:55 AU: Dieguez, Oswaldo;Gonzalez-Vazquez, O. E.;Wojdel, Jacek C.;Iniguez, Jorge;
7:2:2:5 Bridging Multiferroic Phase Transitions by Epitaxial Strain in BiFeO3
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7:2:2:6 Nanoscale Structure and Mechanism for Enhanced Electromechanical Response of Highly Strained BiFeO3 Thin Films
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7:2:2:7 Microscopic Origin of the Giant Ferroelectric Polarization in Tetragonal-like BiFeO3
DOI:10.1103/PhysRevLett.107.147602 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:61 AU: Zhang, J. X.;He, Q.;Trassin, M.;Luo, W.;Yi, D.;Rossell, M. D.;Yu, P.;You, L.;Wang, C. H.;Kuo, C. Y.;Heron, J. T.;Hu, Z.;Zeches, R. J.;Lin, H. J.;Tanaka, A.;Chen, C. T.;Tjeng, L. H.;Chu, Y-H.;Ramesh, R.;
7:2:2:8 Nanoscale Switching Characteristics of Nearly Tetragonal BiFeO3 Thin Films
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7:2:2:9 Coexistence of ferroelectric triclinic phases in highly strained BiFeO3 films
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7:2:2:10 Overview No. 151 Multiferroic and magnetoelectric heterostructures
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7:2:2:11 Competing phases in BiFeO3 thin films under compressive epitaxial strain
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7:2:2:12 Multiferroic Phase Transition near Room Temperature in BiFeO3 Films
DOI:10.1103/PhysRevLett.107.237601 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:32 AU: Infante, I. C.;Juraszek, J.;Fusil, S.;Dupe, B.;Gemeiner, P.;Dieguez, O.;Pailloux, F.;Jouen, S.;Jacquet, E.;Geneste, G.;Pacaud, J.;Iniguez, J.;Bellaiche, L.;Barthelemy, A.;Dkhil, B.;Bibes, M.;
7:2:2:13 Ab Initio Indications for Giant Magnetoelectric Effects Driven by Structural Softness
DOI:10.1103/PhysRevLett.105.037208 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:45 AU: Wojdel, Jacek C.;Iniguez, Jorge;
7:2:2:14 Strain-driven phase boundaries in BiFeO3 thin films studied by atomic force microscopy and x-ray diffraction
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7:2:2:15 Nanoscale domains in strained epitaxial BiFeO3 thin Films on LaSrAlO4 substrate
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7:2:2:16 Tuning the atomic and domain structure of epitaxial films of multiferroic BiFeO3
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7:2:2:17 BiFeO3 Films under Tensile Epitaxial Strain from First Principles
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7:2:2:18 Revisiting Properties of Ferroelectric and Multiferroic Thin Films under Tensile Strain from First Principles
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7:2:2:19 Ferromagnetism in multiferroic BiFeO3 films: A first-principles-based study
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7:2:2:20 Temperature and thickness evolution and epitaxial breakdown in highly strained BiFeO3 thin films
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7:2:2:21 Low symmetry monoclinic M-C phase in epitaxial BiFeO3 thin films on LaSrAlO4 substrates
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7:2:2:22 Nanoscale Control of Phase Variants in Strain-Engineered BiFeO3
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7:2:2:23 Characterization and Manipulation of Mixed Phase Nanodomains in Highly Strained BiFeO3 Thin Films
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7:2:2:24 Misfit strain driven cation inter-diffusion across an epitaxial multiferroic thin film interface
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7:2:2:25 Multidomains made of different structural phases in multiferroic BiFeO3: A first-principles-based study
DOI:10.1103/PhysRevB.88.134107 JN:PHYSICAL REVIEW B PY:2013 TC:6 AU: Wang, Dawei;Salje, Ekhard K. H.;Mi, Shao-Bo;Jia, Chun-Lin;Bellaiche, L.;
7:2:2:26 Atomic Structure of Highly Strained BiFeO3 Thin Films
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7:2:2:27 Atomic structure and microstructures of supertetragonal multiferroic BiFeO3 thin films
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7:2:2:28 Phase Transitions in Epitaxial (-110) BiFeO3 Films from First Principles
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7:2:2:29 Anomalous low-energy phonons in nearly tetragonal BiFeO3 thin films
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7:2:2:30 Suppression of mixed-phase areas in highly elongated BiFeO3 thin films on NdAlO3 substrates
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7:2:2:31 Antiferromagnetic transitions in tetragonal-like BiFeO3
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7:2:2:32 Electrical Control of Multiferroic Orderings in Mixed-Phase BiFeO3 Films
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7:2:2:33 Heteroepitaxy of Tetragonal BiFeO3 on Hexagonal Sapphire(0001)
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7:2:2:34 Ferroelectric Domains in Multiferroic BiFeO3 Films under Epitaxial Strains
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7:2:2:35 Magnetoelectricity in BiFeO3 films: First-principles-based computations and phenomenology
DOI:10.1103/PhysRevB.83.020102 JN:PHYSICAL REVIEW B PY:2011 TC:19 AU: Prosandeev, S.;Kornev, Igor A.;Bellaiche, L.;
7:2:2:36 Epitaxial short-period PbTiO3/BiFeO3 superlattices studied by first-principles calculations
DOI:10.1103/PhysRevB.86.144114 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Yang, Yurong;Stengel, Massimiliano;Ren, Wei;Yan, X. H.;Bellaiche, L.;
7:2:2:37 Origin of a Tetragonal BiFeO3 Phase with a Giant c/a Ratio on SrTiO3 Substrates
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7:2:2:38 Phase Transitions, Phase Coexistence, and Piezoelectric Switching Behavior in Highly Strained BiFeO3 Films
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7:2:2:39 Atomistic Molecular Dynamic Simulations of Multiferroics
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7:2:2:40 Periodic elastic nanodomains in ultrathin tetragonal-like BiFeO3 films
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7:2:2:41 Effect of Substrate on Structure and Multiferrocity of (La, Mn) CoSubstituted BiFeO3 Thin Films
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7:2:2:42 First-principles investigation of the structural phases and enhanced response properties of the BiFeO3-LaFeO3 multiferroic solid solution
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7:2:2:43 Unraveling the origins of electromechanical response in mixed-phase bismuth ferrite
DOI:10.1103/PhysRevB.88.020402 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Vasudevan, R. K.;Okatan, M. B.;Liu, Y. Y.;Jesse, S.;Yang, J. -C.;Liang, W. -I.;Chu, Y. -H.;Li, J. Y.;Kalinin, S. V.;Nagarajan, V.;
7:2:2:44 Domain walls in a perovskite oxide with two primary structural order parameters: First-principles study of BiFeO3
DOI:10.1103/PhysRevB.87.024102 JN:PHYSICAL REVIEW B PY:2013 TC:13 AU: Dieguez, Oswaldo;Aguado-Puente, Pablo;Junquera, Javier;Iniguez, Jorge;
7:2:2:45 Nanoscale Mechanical Softening of Morphotropic BiFeO3
DOI:10.1002/adma.201401958 JN:ADVANCED MATERIALS PY:2014 TC:1 AU: Heo, Yooun;Jang, Byong-Kweon;Kim, Seung Jin;Yang, Chan-Ho;Seidel, Jan;
7:2:2:46 Orthorhombic BiFeO3
DOI:10.1103/PhysRevLett.109.247606 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:20 AU: Yang, J. C.;He, Q.;Suresha, S. J.;Kuo, C. Y.;Peng, C. Y.;Haislmaier, R. C.;Motyka, M. A.;Sheng, G.;Adamo, C.;Lin, H. J.;Hu, Z.;Chang, L.;Tjeng, L. H.;Arenholz, E.;Podraza, N. J.;Bernhagen, M.;Uecker, R.;Schlom, D. G.;Gopalan, V.;Chen, L. Q.;Chen, C. T.;Ramesh, R.;Chu, Y. H.;
7:2:2:47 Large tensile-strain-induced monoclinic M-B phase in BiFeO3 epitaxial thin films on a PrScO3 substrate
DOI:10.1103/PhysRevB.88.054114 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Chen, Zuhuang;Qi, Yajun;You, Lu;Yang, Ping;Huang, C. W.;Wang, Junling;Sritharan, Thirumany;Chen, Lang;
7:2:2:48 Tetragonal-tetragonal-monoclinic-rhombohedral transition: Strain relaxation of heavily compressed BiFeO3 epitaxial thin films
DOI:10.1063/1.4864077 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Fu, Z.;Yin, Z. G.;Chen, N. F.;Zhang, X. W.;Zhao, Y. J.;Bai, Y. M.;Chen, Y.;Wang, H. -H.;Zhang, X. L.;Wu, J. L.;
7:2:2:49 Intrinsic and quantitative effects of in-plane strain on ferroelectric properties of Mn-doped BiFeO3 epitaxial films by in situ inducing strain in substrates
DOI:10.1063/1.4863825 JN:APPLIED PHYSICS LETTERS PY:2014 TC:3 AU: Yang, M. M.;Zhao, X. Q.;Wang, J.;Zhu, Q. X.;Zhang, J. X.;Li, X. M.;Luo, H. S.;Li, X. G.;Zheng, R. K.;
7:2:2:50 Structural study in highly compressed BiFeO3 epitaxial thin films on YAlO3
DOI:10.1063/1.4746036 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:8 AU: Liu, Heng-Jui;Chen, Hsiang-Jung;Liang, Wen-I;Liang, Chen-Wei;Lee, Hsin-Yi;Lin, Su-Jien;Chu, Ying-Hao;
7:2:2:51 Electric control of straight stripe conductive mixed-phase nanostructures in La-doped BiFeO3
DOI:10.1038/am.2013.72 JN:NPG ASIA MATERIALS PY:2014 TC:6 AU: Kim, Kwang-Eun;Jang, Byung-Kweon;Heo, Yooun;Lee, Jin Hong;Jeong, Myoungho;Lee, Jeong Yong;Seidel, Jan;Yang, Chan-Ho;
7:2:2:52 Epitaxial strain and electric boundary condition effects on the structural and ferroelectric properties of BiFeO3 films
DOI:10.1103/PhysRevB.84.094105 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Johann, Florian;Morelli, Alessio;Biggemann, Daniel;Arredondo, Miryam;Vrejoiu, Ionela;
7:2:2:53 Phase separation and electrical switching between two isosymmetric multiferroic phases in tensile strained BiFeO3 thin films
DOI:10.1103/PhysRevB.89.140101 JN:PHYSICAL REVIEW B PY:2014 TC:2 AU: Lee, Jin Hong;Chu, Kanghyun;Uenal, Ahmet A.;Valencia, Sergio;Kronast, Florian;Kowarik, Stefan;Seidel, Jan;Yang, Chan-Ho;
7:2:2:54 Twinning rotation and ferroelectric behavior of epitaxial BiFeO3 (001) thin film
DOI:10.1063/1.3276543 JN:APPLIED PHYSICS LETTERS PY:2010 TC:22 AU: Liu, Huajun;Yang, Ping;Yao, Kui;Wang, John;
7:2:2:55 Domain tuning in mixed-phase BiFeO3 thin films using vicinal substrates
DOI:10.1063/1.4717986 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: You, Lu;Yasui, Shintaro;Ehara, Yoshitaka;Zou, Xi;Ding, Hui;Chen, Zuhuang;Chen, Weigang;Chen, Lang;Funakubo, Hiroshi;Wang, Junling;
7:2:2:56 Untilting BiFeO3: The influence of substrate boundary conditions in ultra-thin BiFeO3 on SrTiO3
DOI:10.1063/1.4827596 JN:APL MATERIALS PY:2013 TC:4 AU: Yang, Yongsoo;Schlepuetz, Christian M.;Adamo, Carolina;Schlom, Darrell G.;Clarke, Roy;
7:2:2:57 Raman and X-ray diffraction study of (Ba,Sr)TiO3/(Bi,Nd)FeO3 multilayer heterostructures
DOI:10.1016/j.tsf.2013.08.057 JN:THIN SOLID FILMS PY:2013 TC:1 AU: Anokhin, A. S.;Bunina, O. A.;Golovko, Yu I.;Mukhortov, V. M.;Yuzyuk, Yu I.;Simon, P.;
7:2:2:58 Probing the evolution of antiferromagnetism in multiferroics
DOI:10.1103/PhysRevB.81.134406 JN:PHYSICAL REVIEW B PY:2010 TC:30 AU: Holcomb, M. B.;Martin, L. W.;Scholl, A.;He, Q.;Yu, P.;Yang, C. -H.;Yang, S. Y.;Glans, P. -A.;Valvidares, M.;Huijben, M.;Kortright, J. B.;Guo, J.;Chu, Y. -H.;Ramesh, R.;
7:2:2:59 Atomic-Scale Visualization of Polarization Pinning and Relaxation at Coherent BiFeO3/LaAlO3 Interfaces
DOI:10.1002/adfm.201301470 JN:ADVANCED FUNCTIONAL MATERIALS PY:2014 TC:6 AU: Huang, Rong;Ding, Hang-Chen;Liang, Wen-I;Gao, Yong-Chao;Tang, Xiao-Dong;He, Qing;Duan, Chun-Gang;Zhu, Ziqiang;Chu, Junhao;Fisher, Craig A. J.;Hirayama, Tsukasa;Ikuhara, Yuichi;Chu, Ying-Hao;
7:2:2:60 Domain structure and in-plane switching in a highly strained Bi0.9Sm0.1FeO3 film
DOI:10.1063/1.3664394 JN:APPLIED PHYSICS LETTERS PY:2011 TC:12 AU: Chen, Weigang;Ren, Wei;You, Lu;Yang, Yurong;Chen, Zuhuang;Qi, Yajun;Zou, Xi;Wang, Junling;Sritharan, Thirumany;Yang, Ping;Bellaiche, L.;Chen, Lang;
7:2:2:61 Electronic structure of multiferroic BiFeO3 and related compounds: Electron energy loss spectroscopy and density functional study
DOI:10.1103/PhysRevB.82.064102 JN:PHYSICAL REVIEW B PY:2010 TC:14 AU: Saeterli, Ragnhild;Selbach, Sverre Magnus;Ravindran, Ponniah;Grande, Tor;Holmestad, Randi;
7:2:2:62 Growth rate induced monoclinic to tetragonal phase transition in epitaxial BiFeO3 (001) thin films
DOI:10.1063/1.3561757 JN:APPLIED PHYSICS LETTERS PY:2011 TC:20 AU: Liu, Huajun;Yang, Ping;Yao, Kui;Wang, John;
7:2:2:63 Mapping of the epitaxial stabilization of quasi-tetragonal BiFeO3 with deposition temperature
DOI:10.1063/1.3696048 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Dix, N.;Muralidharan, R.;Varela, M.;Fontcuberta, J.;Sanchez, F.;
7:2:2:64 Directed assembly of nano-scale phase variants in highly strained BiFeO3 thin films
DOI:10.1063/1.4752395 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:10 AU: Zhou, Jian;Trassin, Morgan;He, Qing;Tamura, Nobumichi;Kunz, Martin;Cheng, Chun;Zhang, Jinxing;Liang, Wen-I;Seidel, Jan;Hsin, Cheng-Lun;Wu, Junqiao;
7:2:2:65 Electrical and piezoelectric properties of BiFeO3 thin films grown on Sr(x)Ca(1-x)RuO(3-)buffered SrTiO3 substrates
DOI:10.1063/1.4724332 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Yao, Yingbang;Chen, Long;Wang, Zhihong;Alshareef, Husam;Zhang, X. X.;
7:2:2:66 Microstructure of highly strained BiFeO3 thin films: Transmission electron microscopy and electron-energy loss spectroscopy studies
DOI:10.1063/1.4863778 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:4 AU: Kim, Young Heon;Bhatnagar, Akash;Pippel, Eckhard;Alexe, Marin;Hesse, Dietrich;
7:2:2:67 Nanoscale Bi2FeO6-x precipitates in BiFeO3 thin films: a metastable Aurivillius phase
DOI:10.1007/s10853-014-8400-3 JN:JOURNAL OF MATERIALS SCIENCE PY:2014 TC:0 AU: Deniz, Hakan;Bhatnagar, Akash;Pippel, Eckhard;Hillebrand, Reinald;Haehnel, Angelika;Alexe, Marin;Hesse, Dietrich;
7:2:2:68 Polarized Raman spectroscopy of nearly tetragonal BiFeO3 thin films
DOI:10.1103/PhysRevB.82.014107 JN:PHYSICAL REVIEW B PY:2010 TC:14 AU: Iliev, M. N.;Abrashev, M. V.;Mazumdar, D.;Shelke, V.;Gupta, A.;
7:2:2:69 Giant Enhancement of Ferroelectric Retention in BiFeO3 Mixed-Phase Boundary
DOI:10.1002/adma.201402442 JN:ADVANCED MATERIALS PY:2014 TC:2 AU: Huang, Yen-Chin;Liu, Yunya;Lin, Yi-Tsu;Liu, Heng-Jui;He, Qing;Li, Jiangyu;Chen, Yi-Chun;Chu, Ying-Hao;
7:2:2:70 Strain-driven phase transitions and associated dielectric/piezoelectric anomalies in BiFeO3 thin films
DOI:10.1063/1.3499658 JN:APPLIED PHYSICS LETTERS PY:2010 TC:15 AU: Huang, C. W.;Chu, Y. H.;Chen, Z. H.;Wang, Junling;Sritharan, T.;He, Q.;Ramesh, R.;Chen, Lang;
7:2:2:71 Strain dependence of transition temperatures and structural symmetry of BiFeO3 within the tetragonal-like structure
DOI:10.1063/1.4767335 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Siemons, W.;MacDougall, G. J.;Aczel, A. A.;Zarestky, J. L.;Biegalski, M. D.;Liang, S.;Dagotto, E.;Nagler, S. E.;Christen, H. M.;
7:2:2:72 Strain-engineered orthorhombic-rhombohedral phase boundary in epitaxial bismuth ferrite films
DOI:10.1063/1.4804962 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:7 AU: Liu, Y. Y.;Yang, L.;Li, J. Y.;
7:2:2:73 BiFeO3 Domain Wall Energies and Structures: A Combined Experimental and Density Functional Theory plus U Study
DOI:10.1103/PhysRevLett.110.267601 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:5 AU: Wang, Yi;Nelson, Chris;Melville, Alexander;Winchester, Benjamin;Shang, Shunli;Liu, Zi-Kui;Schlom, Darrell G.;Pan, Xiaoqing;Chen, Long-Qing;
7:2:2:74 Relaxation of ferroelectric domains in epitaxial BiFeO3 thin films on vicinal SrTiO3 substrate
DOI:10.1016/j.tsf.2013.08.088 JN:THIN SOLID FILMS PY:2013 TC:2 AU: Jang, Y. H.;Kim, C. H.;Seo, S. J.;Cho, J. H.;
7:2:2:75 Thickness-dependent magnetism and spin-glass behaviors in compressively strained BiFeO3 thin films
DOI:10.1063/1.3600064 JN:APPLIED PHYSICS LETTERS PY:2011 TC:21 AU: Cheng, Ching-Jung;Lu, Chengliang;Chen, Zuhuang;You, Lu;Chen, Lang;Wang, Junling;Wu, Tom;
7:2:2:76 Temperature-driven evolution of hierarchical nanodomain structure in tetragonal-like BiFeO3 films
DOI:10.1063/1.3676192 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Qi, Yajun;Chen, Zuhuang;Wang, Lihua;Han, Xiaodong;Wang, Junling;Sritharan, Thirumany;Chen, Lang;
7:2:2:77 Prediction of a Novel Magnetoelectric Switching Mechanism in Multiferroics
DOI:10.1103/PhysRevLett.112.057202 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:7 AU: Yang, Yurong;Iniguez, Jorge;Mao, Ai-Jie;Bellaiche, L.;
7:2:2:78 Temperature controlled c axis elongated low symmetry phase BiFeO3 thin film on STO substrate
DOI:10.1063/1.4789399 JN:AIP ADVANCES PY:2013 TC:1 AU: Ren, Peng;Cho, Soon Khuen;Liu, Peng;You, Lu;Zou, Xi;Wang, Baomin;Wang, Junling;Wang, Lan;
7:2:2:79 Elastic properties of tetragonal BiFeO3 from first-principles calculations
DOI:10.1063/1.4804641 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Dong, Huafeng;Chen, Changqing;Wang, Shanying;Duan, Wenhui;Li, Jingbo;
7:2:2:80 Crafting the magnonic and spintronic response of BiFeO3 films by epitaxial strain
DOI:10.1038/NMAT3629 JN:NATURE MATERIALS PY:2013 TC:43 AU: Sando, D.;Agbelele, A.;Rahmedov, D.;Liu, J.;Rovillain, P.;Toulouse, C.;Infante, I. C.;Pyatakov, A. P.;Fusil, S.;Jacquet, E.;Carretero, C.;Deranlot, C.;Lisenkov, S.;Wang, D.;Le Breton, J-M.;Cazayous, M.;Sacuto, A.;Juraszek, J.;Zvezdin, A. K.;Bellaiche, L.;Dkhil, B.;Barthelemy, A.;Bibes, M.;
7:2:2:81 Evidence for a first-order transition from monoclinic alpha to monoclinic beta phase in BiFeO3 thin films
DOI:10.1103/PhysRevB.81.140101 JN:PHYSICAL REVIEW B PY:2010 TC:15 AU: Toupet, H.;Le Marrec, F.;Lichtensteiger, C.;Dkhil, B.;Karkut, M. G.;
7:2:2:82 Neutron Diffraction Investigations of Magnetism in BiFeO3 Epitaxial Films
DOI:10.1002/adfm.201002125 JN:ADVANCED FUNCTIONAL MATERIALS PY:2011 TC:18 AU: Ratcliff, William, II;Kan, Daisuke;Chen, Wangchun;Watson, Shannon;Chi, Songxue;Erwin, Ross;McIntyre, Garry J.;Capelli, Sylvia C.;Takeuchi, Ichiro;
7:2:2:83 Stability of heterophase nanostructure and field induced response of epitaxial ferroelectric films
DOI:10.1063/1.3653389 JN:APPLIED PHYSICS LETTERS PY:2011 TC:5 AU: Roytburd, Alexander L.;Ouyang, Jun;Boyerinas, Brad M.;Bruck, Hugh A.;
7:2:2:84 Stabilization of mixed-phase structures in highly strained BiFeO3 thin films via chemical-alloying
DOI:10.1063/1.3688175 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Damodaran, Anoop R.;Breckenfeld, Eric;Choquette, Amber K.;Martin, Lane W.;
7:2:2:85 First-Principles Investigation of Morphotropic Transitions and Phase-Change Functional Responses in BiFeO3-BiCoO3 Multiferroic Solid Solutions
DOI:10.1103/PhysRevLett.107.057601 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:16 AU: Dieguez, Oswaldo;Iniguez, Jorge;
7:2:2:86 Strain Engineering Magnetic Frustration in Perovskite Oxide Thin Films
DOI:10.1103/PhysRevLett.109.247202 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:7 AU: Escorihuela-Sayalero, Carlos;Dieguez, Oswaldo;Iniguez, Jorge;
7:2:2:87 Persistent Photoconductivity in Strained Epitaxial BiFeO3 Thin Films
DOI:10.1021/nl502183j JN:NANO LETTERS PY:2014 TC:5 AU: Bhatnagar, Akash;Kim, Young Heon;Hesse, Dietrich;Alexe, Marin;
7:2:2:88 Crystal structure and local piezoelectric properties of strain-controlled (001) BiFeO3 epitaxial thin films
DOI:10.1016/j.tsf.2013.10.178 JN:THIN SOLID FILMS PY:2014 TC:0 AU: Ujimoto, K.;Yoshimura, T.;Wakazono, K.;Ashida, A.;Fujimura, N.;
7:2:2:89 Domain pattern and piezoelectric response across polymorphic phase transition in strained bismuth ferrite films
DOI:10.1063/1.3525926 JN:APPLIED PHYSICS LETTERS PY:2010 TC:13 AU: Kuo, H. Y.;Shu, Y. C.;Chen, H. Z.;Hsueh, C. J.;Wang, C. H.;Chu, Y. H.;
7:2:2:90 Unit cell orientation of tetragonal-like BiFeO3 thin films grown on highly miscut LaAlO3 substrates
DOI:10.1063/1.4809601 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Beekman, C.;Siemons, W.;Ward, T. Z.;Budai, J. D.;Tischler, J. Z.;Xu, R.;Liu, W.;Balke, N.;Nam, J. H.;Christen, H. M.;
7:2:2:91 Sub-band level-assisted photoconduction in epitaxial BiFeO3 films
DOI:10.1063/1.4896508 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Bhatnagar, Akash;Kim, Young Heon;Hesse, Dietrich;Alexe, Marin;
7:2:2:92 Probing the domain structure of BiFeO3 epitaxial films with three-dimensional reciprocal space mapping
DOI:10.1063/1.4875579 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Luo, Z. L.;Huang, H.;Zhou, H.;Chen, Z. H.;Yang, Y.;Wu, L.;Zhu, C.;Wang, H.;Yang, M.;Hu, S.;Wen, H.;Zhang, X.;Zhang, Z.;Chen, L.;Fong, D. D.;Gao, C.;
7:2:2:93 Stability and crossover of 71 degrees and 109 degrees domains influenced by the film thickness and depolarization field in rhombohedral ferroelectric thin films
DOI:10.1063/1.3607977 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Huang, C. W.;Chen, Z. H.;Sritharan, Junling Wang T.;Chen, Lang;
7:2:2:94 Compositional tuning of the strain-induced structural phase transition and of ferromagnetism in Bi1-xBaxFeO3-delta
DOI:10.1557/jmr.2011.59 JN:JOURNAL OF MATERIALS RESEARCH PY:2011 TC:10 AU: Bennett, Charlee J. C.;Kim, Hyun Sik;Varela, Maria;Biegalski, Michael D.;Kim, Dae Ho;Norton, David P.;Meyer, Harry M., III;Christen, Hans M.;
7:2:2:95 Prediction of the Magnetotoroidic Effect from Atomistic Simulations
DOI:10.1103/PhysRevLett.107.127202 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:6 AU: Ren, Wei;Bellaiche, L.;
7:2:2:96 Nanoscale phase separation in quasi-uniaxial and biaxial strained multiferroic thin films
DOI:10.1063/1.3644958 JN:APPLIED PHYSICS LETTERS PY:2011 TC:3 AU: Qi, Yajun;Huang, Chuanwei;Chen, Zuhuang;Luo, Zhenlin;Wang, Yiqian;Guo, Jun;White, Tim;Wang, Junling;Gao, Chen;Sritharan, Thirumany;Chen, Lang;
7:2:2:97 Unusual 90 degrees domain structure in (2/3)Bi(Zn1/2Ti1/2)O-3-(1/3)BiFeO3 epitaxial films with giant 22% tetragonal distortion
DOI:10.1063/1.4816420 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Yasui, Shintaro;Yazawa, Keisuke;Matsushima, Masaaki;Yamada, Tomoaki;Morioka, Hitoshi;Uchida, Hiroshi;Iijima, Takashi;You, Lu;Wang, Junling;Yamamoto, Takahisa;Ikuhara, Yuichi;Funakubo, Hiroshi;
7:2:2:98 Effect of substrate orientation on lattice relaxation of epitaxial BiFeO3 thin films
DOI:10.1063/1.3452360 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:16 AU: Kan, Daisuke;Takeuchi, Ichiro;
7:2:2:99 The role of SrRuO3 bottom layer in strain relaxation of BiFeO3 thin films deposited on lattice mismatched substrates
DOI:10.1063/1.3564940 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:7 AU: Shelke, Vilas;Mazumdar, Dipanjan;Srinivasan, G.;Gupta, Arunava;
7:2:2:100 Kittel Law in BiFeO3 Ultrathin Films: A First-Principles-Based Study
DOI:10.1103/PhysRevLett.105.147603 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:9 AU: Prosandeev, S.;Lisenkov, S.;Bellaiche, L.;
7:2:2:101 Electromechanical Coupling among Edge Dislocations, Domain Walls, and Nanodomains in BiFeO3 Revealed by Unit-Cell-Wise Strain and Polarization Maps
DOI:10.1021/nl304229k JN:NANO LETTERS PY:2013 TC:10 AU: Lubk, A.;Rossell, M. D.;Seidel, J.;Chu, Y. H.;Ramesh, R.;Hyetch, M. J.;Snoeck, E.;
7:2:2:102 Tuning Phase Stability of Complex Oxide Nanocrystals via Conjugation
DOI:10.1021/nl500744h JN:NANO LETTERS PY:2014 TC:4 AU: Kuo, Ho-Hung;Chen, Lei;Ji, Yanzhou;Liu, Heng-Jui;Chen, Long-Qing;Chu, Ying-Hao;
7:2:2:103 Size effects in multiferroic BiFeO3 nanodots: A first-principles-based study
DOI:10.1103/PhysRevB.82.113403 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Ren, Wei;Bellaiche, L.;
7:2:2:104 Uniaxial strain-induced ferroelectric phase with a giant axial ratio in a (110) BiFeO3 thin film
DOI:10.1103/PhysRevB.87.220101 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Liu, Huajun;Yang, Ping;Fan, Zhen;Kumar, Amit;Yao, Kui;Khuong Phuong Ong;Zeng, Kaiyang;Wang, John;
7:2:2:105 Tuning the polarization and magnetism in BiCoO3 by strain and oxygen vacancy effect: A first-principle study
DOI:10.1063/1.3672837 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Chen, Xing-Yuan;Chen, Li-Juan;Yang, Xiao-Bao;Zhao, Yu-Jun;Ding, Hang-Chen;Duan, Chun-Gang;
7:2:2:106 Multiferroic and structural properties of BiFeO3 close to the strain induced phase transition on different substrates
DOI:10.1063/1.4795216 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Mix, Christian;Jakob, Gerhard;
7:2:2:107 Investigation of nanodomain pattern and piezoelectric behavior of mixed phases in epitaxial BiFeO3 films
DOI:10.1016/j.jeurceramsoc.2011.04.010 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2011 TC:3 AU: Kuo, H. Y.;Shu, Y. C.;Chen, H. Z.;Hsueh, C. J.;Wang, C. H.;Chu, Y. H.;
7:2:2:108 Magnetic structure of epitaxial multiferroic BiFeO3 films with engineered ferroelectric domains
DOI:10.1103/PhysRevB.82.134448 JN:PHYSICAL REVIEW B PY:2010 TC:11 AU: Ke, X.;Zhang, P. P.;Baek, S. H.;Zarestky, J.;Tian, W.;Eom, C. B.;
7:2:2:109 Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin films using planar electrodes
DOI:10.1103/PhysRevB.86.235125 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;
7:2:2:110 Ab initio study of multiferroic BiFeO3 (110) surfaces
DOI:10.1103/PhysRevB.89.245437 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Shimada, Takahiro;Arisue, Kou;Wang, Jie;Kitamura, Takayuki;
7:2:2:111 Thermodynamics of formation of tetragonal and rhombohedral heterophase polydomains in epitaxial ferroelectric thin films
DOI:10.1016/j.actamat.2011.02.008 JN:ACTA MATERIALIA PY:2011 TC:9 AU: Ouyang, Jun;Zhang, Wei;Huang, Xiaoyue;Roytburd, A. L.;
7:2:2:112 Probing mixed tetragonal/rhombohedral-like monoclinic phases in strained bismuth ferrite films by optical second harmonic generation
DOI:10.1063/1.3483923 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Kumar, Amit;Denev, Sava;Zeches, Robert J.;Vlahos, Eftihia;Podraza, Nikolas J.;Melville, Alexander;Schlom, Darrell G.;Ramesh, R.;Gopalan, Venkatraman;
7:2:2:113 Selective Pure-Phase Synthesis of the Multiferroic BaMF4 (M = Mg, Mn, Co, Ni, and Zn) Family
DOI:10.1021/ja108965s JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2010 TC:9 AU: Kim, Sun Woo;Chang, Hong Young;Halasyamani, P. Shiv;
7:2:2:114 Thickness-dependent evolutions of domain configuration and size in ferroelectric and ferroelectric-ferroelastic films
DOI:10.1063/1.4794005 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Huang, C. W.;Chen, Z. H.;Chen, Lang;
7:2:2:115 Preparation of monoclinic 0.9(BiFeO3)-0.1(BiCoO3) epitaxial films on orthorhombic YAlO3 (100) substrates by r.f. magnetron sputtering
DOI:10.1016/j.jcrysgro.2014.09.044 JN:JOURNAL OF CRYSTAL GROWTH PY:2015 TC:0 AU: Ichinose, T.;Naganuma, H.;Mukaiyama, K.;Oogane, M.;Ando, Y.;
7:2:2:116 Equilibrium Phase Structures for BiFeO3 Thin Films on LaAlO3 Substrate
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7:2:2:117 Magnetic and structural properties of BiFeO3 thin films grown epitaxially on SrTiO3/Si substrates
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7:2:2:118 Effect of thickness-mediated misfit strain on the heterophase polydomain structure of epitaxial BiFeO3 films
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7:2:2:119 Focused-ion-beam induced damage in thin films of complex oxide BiFeO3
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7:2:2:120 Electronic and Magnetic Properties of BiFeO3: Gd3+
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7:2:2:121 Theory of magnetization in multiferroics: Competition between ferromagnetic and antiferromagnetic domains
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7:2:2:122 Testing simple predictors for the temperature of a structural phase transition
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7:2:2:123 Domain walls in a perovskite oxide with two primary structural order parameters: First-principles study of BiFeO3 (vol 87, 024102, 2013)
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7:2:2:124 Enhanced Magnetization and Ferroelectric Switching in Multiferroic BST/BNFO Superstructures
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7:2:2:125 Bridging Multiferroic Phase Transitions by Epitaxial Strain in BiFeO3 (vol 105, 057601, 2010)
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7:2:3:1 Domain Wall Conductivity in La-Doped BiFeO3
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7:2:3:2 Conduction at Domain Walls in Insulating Pb(Zr0.2Ti0.8)O3 Thin Films
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7:2:3:3 Conduction through 71 degrees DomainWalls in BiFeO3 Thin Films
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7:2:3:4 Domain Wall Conduction and Polarization-Mediated Transport in Ferroelectrics
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7:2:3:5 Dynamic Conductivity of Ferroelectric Domain Walls in BiFeO3
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7:2:3:6 Direct Observation of Ferrielectricity at Ferroelastic Domain Boundaries in CaTiO3 by Electron Microscopy
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7:2:3:7 Static conductivity of charged domain walls in uniaxial ferroelectric semiconductors
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7:2:3:8 Domain walls of ferroelectric BaTiO3 within the Ginzburg-Landau-Devonshire phenomenological model
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7:2:3:9 Head-to-head and tail-to-tail 180 degrees domain walls in an isolated ferroelectric
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7:2:3:10 Conductivity of twin-domain-wall/surface junctions in ferroelastics: Interplay of deformation potential, octahedral rotations, improper ferroelectricity, and flexoelectric coupling
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7:2:3:11 Tunable Metallic Conductance in Ferroelectric Nanodomains
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7:2:3:12 Interfacial polarization and pyroelectricity in antiferrodistortive structures induced by a flexoelectric effect and rotostriction
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7:2:3:13 Domain wall conduction in multiaxial ferroelectrics
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7:2:3:14 Anisotropic conductivity of uncharged domain walls in BiFeO3
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7:2:3:15 Mapping Octahedral Tilts and Polarization Across a Domain Wall in BiFeO3 from Z-Contrast Scanning Transmission Electron Microscopy Image Atomic Column Shape Analysis
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7:2:3:16 Structural phase transitions and electronic phenomena at 180-degree domain walls in rhombohedral BaTiO3
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7:2:3:17 Multifunctionalities driven by ferroic domains
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7:2:3:18 Domain Wall Geometry Controls Conduction in Ferroelectrics
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7:2:3:19 Conducting Domain Walls in Lithium Niobate Single Crystals
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7:2:3:20 Ferroelectric Domain Wall Injection
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7:2:3:21 Surface polar states and pyroelectricity in ferroelastics induced by flexo-roto field
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7:2:3:22 Magnetotransport at Domain Walls in BiFeO3
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7:2:3:23 Landau theory of domain wall magnetoelectricity
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7:2:3:24 Domain Wall Conduction in Ferroelectrics
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7:2:3:25 Atomic-Scale Evolution of Local Electronic Structure Across Multiferroic Domain Walls
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7:2:3:26 Electronic Properties of Isosymmetric Phase Boundaries in Highly Strained Ca-Doped BiFeO3
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7:2:3:27 Nanoscale properties of thin twin walls and surface layers in piezoelectric WO3-x
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7:2:3:28 Ferroelectric Bloch-line switching: A paradigm for memory devices?
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7:2:3:29 Sequential injection of domain walls into ferroelectrics at different bias voltages: Paving the way for "domain wall memristors"
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7:2:3:30 Local conductivity and the role of vacancies around twin walls of (001)-BiFeO3 thin films
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7:2:3:31 Trapping of oxygen vacancies in the twin walls of perovskite
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7:2:3:32 Scaling Behavior of Resistive Switching in Epitaxial Bismuth Ferrite Heterostructures
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7:2:3:33 Domain Wall Damping and Elastic Softening in SrTiO3: Evidence for Polar Twin Walls
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7:2:3:34 Atomic Scale Structure Changes Induced by Charged Domain Walls in Ferroelectric Materials
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7:2:3:35 Correlated polarization switching in the proximity of a 180 degrees domain wall
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7:2:3:36 Elastic excitations in BaTiO3 single crystals and ceramics: Mobile domain boundaries and polar nanoregions observed by resonant ultrasonic spectroscopy
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7:2:3:37 Flexoelectricity and ferroelectric domain wall structures: Phase-field modeling and DFT calculations
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7:2:3:38 Mesoscopic mechanism of the domain wall interaction with elastic defects in uniaxial ferroelectrics
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7:2:3:39 Polarization-Modulated Rectification at Ferroelectric Surfaces
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7:2:3:40 Domains within Domains and Walls within Walls: Evidence for Polar Domains in Cryogenic SrTiO3
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7:2:3:41 Bichiral structure of ferroelectric domain walls driven by flexoelectricity
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7:2:3:42 Ferroelectric Transitions at Ferroelectric Domain Walls Found from First Principles
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7:2:3:43 Optical three-dimensional profiling of charged domain walls in ferroelectrics by Cherenkov second-harmonic generation
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7:2:3:44 Direct evidence of polar nature of ferroelastic twin boundaries in CaTiO3 obtained by second harmonic generation microscope
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7:2:3:45 Deep Data Analysis of Conductive Phenomena on Complex Oxide Interfaces: Physics from Data Mining
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7:2:3:46 Polar precursor ordering in BaTiO3 detected by resonant piezoelectric spectroscopy
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7:2:3:47 Domain relaxation dynamics in epitaxial BiFeO3 films: Role of surface charges
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7:2:3:48 Origin of the Bloch-type polarization components at the 180 degrees domain walls in ferroelectric PbTiO3
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7:2:3:49 Thermal quench effects on ferroelectric domain walls
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7:2:3:50 First-principles study of 180 degrees domain walls in BaTiO3: Mixed Bloch-Neel-Ising character
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7:2:3:51 Impact of Free Charges on Polarization and Pyroelectricity in Antiferrodistortive Structures and Surfaces Induced by a Flexoelectric Effect
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7:2:3:52 Local electrical conduction in polycrystalline La-doped BiFeO3 thin films
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7:2:3:53 Electrical Modulation of the Local Conduction at Oxide Tubular Interfaces
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7:2:3:54 Spintronic Functionality of BiFeO3 Domain Walls
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7:2:3:55 Domain wall conductivity in oxygen deficient multiferroic YMnO3 single crystals
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7:2:3:56 Domain growth kinetics in La0.89Sr0.11MnO3 single crystal studied by piezoresponse force microscopy
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7:2:3:57 Bloch-type domain walls in rhombohedral BaTiO3
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7:2:3:58 Influence of flexoelectric coupling on domain patterns in ferroelectrics
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7:2:3:59 Sub-critical field domain reversal in epitaxial ferroelectric films
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7:2:3:60 Multiscaling Analysis of Ferroelectric Domain Wall Roughness
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7:2:3:61 Evidence of Sharp and Diffuse Domain Walls in BiFeO3 by Means of Unit-Cell-Wise Strain and Polarization Maps Obtained with High Resolution Scanning Transmission Electron Microscopy
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7:2:3:63 Structure and energetics of ferroelectric domain walls in LiNbO3 from atomic-level simulations
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7:2:3:64 Piezoelectric properties of twinned ferroelectric perovskites with head-to-head and tail-to-tail domain walls
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7:2:3:65 Highly mobile vortex structures inside polar twin boundaries in SrTiO3
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7:2:3:66 Effect of doping on polarization profiles and switching in semiconducting ferroelectric thin films
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7:2:3:67 Stability and charge transfer levels of extrinsic defects in LiNbO3
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7:2:3:68 Ferroelectric charged domain walls in an applied electric field
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7:2:3:69 Minimum domain size and stability in carbon nanotube-ferroelectric devices
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7:2:3:70 On the Link Beween Octahedral Rotations and Conductivity in the Domain Walls of BiFeO3
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7:2:3:71 Correlated motion dynamics of electron channels and domain walls in a ferroelectric-gate thin-film transistor consisting of a ZnO/Pb(Zr,Ti)O-3 stacked structure
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7:2:3:72 Polarization Switching Ability Dependent on Multidomain Topology in a Uniaxial Organic Ferroelectric
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7:2:3:73 Spectral analysis of resonance ultrasonic spectroscopy: Kramers-Kronig analysis, Fano profiles, and the case of precursor softening in SnTe:Cr
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7:2:3:74 Flicker vortex structures in multiferroic materials
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7:2:3:75 Unusual dielectric behavior and domain structure in rhombohedral phase of BaTiO3 single crystals
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7:2:3:76 Scaling and disorder analysis of local I-V curves from ferroelectric thin films of lead zirconate titanate
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7:2:3:77 Depletion-layer-induced size effects in ferroelectric thin films: A Ginzburg-Landau model study
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7:2:3:78 Bistability of ferroelectric domain walls: Morphotropic boundary and strain effects
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7:2:3:79 Order-parameter symmetries of domain walls in ferroelectrics and ferroelastics
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7:2:3:80 Compliant ferroelastic domains in epitaxial Pb(Zr, Ti)O-3 thin films
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7:2:3:81 Persistent conductive footprints of 109 degrees domain walls in bismuth ferrite films
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7:2:3:82 Electrical conduction in nanodomains in congruent lithium tantalate single crystal
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7:2:3:83 Impact of Strain Effects on the Stability of Ising Walls in Ferroelectrics
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7:2:3:84 Nanoscale Probing of High Photovoltages at 109 degrees Domain Walls
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7:2:3:85 Conducting Jahn-Teller domain walls in undoped manganites
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7:2:3:86 EXAFS evidence for a primary Zn-Li dopant in LiNbO3
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7:2:3:87 Shape of ferroelectric domains in LiNbO3 and LiTaO3 from defect/domain-wall interactions
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7:2:3:88 Theory of Electric Polarization in Multiorbital Mott Insulators
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7:2:3:89 Anisotropic conductance at improper ferroelectric domain walls
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7:2:3:90 Local On/Off Currents in BiFeO3 Thin Films Modulated by Bipolar Polarization Orientations
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7:2:3:91 Atomic structure of steps on 180 degrees ferroelectric domain walls in PbTiO3
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7:2:3:92 Quasi-one-dimensional domain walls in ferroelectric ceramics: Evidence from domain dynamics and wall roughness measurements
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7:2:3:93 Multifractal scaling of flux penetration in the iron-based superconductor Ba(Fe0.93Co0.07)(2)As-2
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7:2:3:94 The influence of notches on domain dynamics in ferroelectric nanowires
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7:2:3:95 Effect of strain and oxygen vacancies on the structure of 180 degrees ferroelectric domain walls in PbTiO3
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7:2:3:96 Broken Symmetry, Ferroic Phase Transitions and Multifunctional Materials
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7:2:3:97 On the role of grain boundaries in nanocrystalline gamma-Fe2O3 under high pressure
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7:2:3:98 Domain walls of ferroelectric BaTiO3 within the Ginzburg-Landau-Devonshire phenomenological model (vol 81, 144125, 2010)
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7:2:3:99 Bichiral structure of ferroelectric domain walls driven by flexoelectricity (vol 86, 134102, 2012)
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7:2:3:100 Subsurface nanodomains with in-plane polarization in uniaxial ferroelectrics via scanning force microscopy
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7:2:3:101 Bi2SiO5 Doping Concentration Effects on the Electrical Properties of SrBi2Ta2O9 Films
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7:2:3:102 High-Symmetry Polarization Domains in Low-Symmetry Ferroelectrics
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7:2:4:1 Bulk Photovoltaic Effect at Visible Wavelength in Epitaxial Ferroelectric BiFeO3 Thin Films
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7:2:4:2 Mechanism of the Switchable Photovoltaic Effect in Ferroelectric BiFeO3
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7:2:4:3 Efficient Photovoltaic Current Generation at Ferroelectric Domain Walls
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7:2:4:4 Arising applications of ferroelectric materials in photovoltaic devices
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7:2:4:5 Effects of annealing temperature on the microstructure, optical, ferro electric and photovoltaic properties of BiFeO3 thin films prepared by sol-gel method
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7:2:4:6 Effect of top electrodes on photovoltaic properties of polycrystalline BiFeO3 based thin film capacitors
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7:2:4:7 Resistance switching and white-light photovoltaic effects in BiFeO3/Nb-SrTiO3 heterojunctions
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7:2:4:8 BiFeO3/TiO2 Nanotube Arrays Composite Electrode: Construction, Characterization, and Enhanced Photoelectrochemical Properties
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7:2:4:9 Photovoltaic enhancement based on improvement of ferroelectric property and band gap in Ti-doped bismuth ferrite thin films
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7:2:4:10 Enhanced photovoltaic properties in graphene/polycrystalline BiFeO3/Pt heterojunction structure
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7:2:4:11 High-Efficiency Ferroelectric-Film Solar Cells with an n-type Cu2O Cathode Buffer Layer
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7:2:4:12 Ferroelectric photovoltaic properties of Ce and Mn codoped BiFeO3 thin film
DOI:10.1063/1.4859575 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:6 AU: Gupta, Surbhi;Tomar, Monika;Gupta, Vinay;
7:2:4:13 Evidence of bulk photovoltaic effect and large tensor coefficient in ferroelectric BiFeO3 thin films
DOI:10.1103/PhysRevB.84.094115 JN:PHYSICAL REVIEW B PY:2011 TC:22 AU: Ji, Wei;Yao, Kui;Liang, Yung C.;
7:2:4:14 Photovoltaic properties of Bi2FeCrO6 epitaxial thin films
DOI:10.1063/1.3590270 JN:APPLIED PHYSICS LETTERS PY:2011 TC:27 AU: Nechache, R.;Harnagea, C.;Licoccia, S.;Traversa, E.;Ruediger, A.;Pignolet, A.;Rosei, F.;
7:2:4:15 Ultrafast Photovoltaic Response in Ferroelectric Nanolayers
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7:2:4:16 Evidence for oxygen vacancy or ferroelectric polarization induced switchable diode and photovoltaic effects in BiFeO3 based thin films
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7:2:4:17 p-i-n Heterojunctions with BiFeO(3)Perovskite Nanoparticles and p-and n-Type Oxides: Photovoltaic Properties
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7:2:4:18 Interface controlled photovoltaic effect in epitaxial Pb(Zr,Ti)O-3 films with tetragonal structure
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7:2:4:19 First Principles Calculation of the Shift Current Photovoltaic Effect in Ferroelectrics
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7:2:4:20 Enhancement of Photocurrent in Ferroelectric Films Via the Incorporation of Narrow Bandgap Nanoparticles
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7:2:4:21 Understanding the nature of remnant polarization enhancement, coercive voltage offset and time-dependent photocurrent in ferroelectric films irradiated by ultraviolet light
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7:2:4:22 Spatially Resolved Photodetection in Leaky Ferroelectric BiFeO3
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7:2:4:23 Enhanced open voltage of BiFeO3 polycrystalline film by surface modification of organolead halide perovskite
DOI:10.1063/1.4888912 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Zhao, Pengjun;Bian, Liang;Wang, Lei;Xu, Jinbao;Chang, Aimin;
7:2:4:24 Switchable photovoltaic response from polarization modulated interfaces in BiFeO3 thin films
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7:2:4:25 Investigation of the improved performance in a graphene/polycrystalline BiFeO3/Pt photovoltaic heterojunction: Experiment, modeling, and application
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7:2:4:26 Above 1% efficiency of a ferroelectric solar cell based on the Pb(Zr, Ti)O-3 film
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7:2:4:27 Effects of Nd-doping on optical and photovoltaic properties of barium titanate thin films prepared by sol-gel method
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7:2:4:28 Interface effect on the photocurrent: A comparative study on Pt sandwiched (Bi3.7Nd0.3)Ti3O12 and Pb(Zr0.2Ti0.8)O-3 films
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7:2:4:29 Photovoltaic property of BiFeO3 thin films with 109 degrees domains
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7:2:4:30 Photovoltaic property of domain engineered epitaxial BiFeO3 films
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7:2:4:31 Ultraviolet photovoltaic effect in BiFeO3/Nb-SrTiO3 heterostructure
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7:2:4:32 Enhanced photocurrent in Pb(Zr0.2Ti0.8)O-3 ferroelectric film by artificially introducing asymmetrical interface Schottky barriers
DOI:10.1016/j.matchemphys.2012.04.041 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:14 AU: Zhang, Peng;Cao, Dawei;Wang, Chunyan;Shen, Mingrong;Su, Xiaodong;Fang, Liang;Dong, Wen;Zheng, Fengang;
7:2:4:33 Tunable photovoltaic effects in transparent Pb(Zr-0.53,Ti-0.47)O-3 capacitors
DOI:10.1063/1.4709406 JN:APPLIED PHYSICS LETTERS PY:2012 TC:12 AU: Chen, Bin;Zuo, Zhenghu;Liu, Yiwei;Zhan, Qing-Feng;Xie, Yali;Yang, Huali;Dai, Guohong;Li, Zhixiang;Xu, Gaojie;Li, Run-Wei;
7:2:4:34 Dielectric and optical properties of BiFeO3-(Na0.5Bi0.5)TiO3 thin films deposited on Si substrate using LaNiO3 as buffer layer for photovoltaic devices
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7:2:4:35 Calcium-doping effects on photovoltaic response and structure in multiferroic BiFeO3 ceramics
DOI:10.1063/1.4823856 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:8 AU: Tu, C. S.;Hung, C. -M.;Xu, Z. -R.;Schmidt, V. H.;Ting, Y.;Chien, R. R.;Peng, Y. -T.;Anthoninappen, J.;
7:2:4:36 Enhanced photovoltaic properties in polycrystalline BiFeO3 thin films with rhombohedral perovskite structure deposited on fluorine doped tin oxide substrates
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7:2:4:37 Local Mapping of Generation and Recombination Lifetime in BiFeO3 Single Crystals by Scanning Probe Photoinduced Transient Spectroscopy
DOI:10.1021/nl300618e JN:NANO LETTERS PY:2012 TC:15 AU: Alexe, Marin;
7:2:4:38 Single ferroelectric-domain photovoltaic switch based on lateral BiFeO3 cells
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7:2:4:39 Photovoltaic effect in a wide-area semiconductor-ferroelectric device
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7:2:4:40 Complex transport behavior accompanying domain switching in La0.1Bi0.9FeO3 sandwiched capacitors
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7:2:4:41 Switchable photovoltaic effect in bilayer graphene/BiFeO3/Pt heterostructures
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7:2:4:42 Studies of the switchable photovoltaic effect in co-substituted BiFeO3 thin films
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7:2:4:43 First-Principles Calculation of the Bulk Photovoltaic Effect in Bismuth Ferrite
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7:2:4:44 Dynamics of Photogenerated Surface Charge on BiFeO3 Films
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7:2:4:45 Enhanced Photovoltaic Effect in BiVO4 Semiconductor by Incorporation with an Ultrathin BiFeO3 Ferroelectric Layer
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7:2:4:46 The Application of Bismuth-Based Oxides in Organic-Inorganic Hybrid Photovoltaic Devices
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7:2:4:47 Photocurrent of lead-free (K0.5Na0.5)(Mn0.005Nb0.995)O-3 ferroelectric nanotubes
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7:2:4:48 Photoelectric Effects in Single Domain BiFeO3 Crystals
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7:2:4:49 Interface layer thickness effect on the photocurrent of Pt sandwiched polycrystalline ferroelectric Pb(Zr, Ti)O-3 films
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7:2:4:50 Electro-photo double modulation on the resistive switching behavior and switchable photoelectric effect in BiFeO3 films
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7:2:4:51 Enhanced photoresponse in BiFeO3/SrRuO3 heterostructure
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7:2:4:52 Ferroelectric Photocurrent Effect in Polycrystalline Lead-Free (K0.5Na0.5)(Mn0.005Nb0.995)O3 Thin Film
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7:2:4:53 About the complex relation between short-circuit photocurrent, imprint and polarization in ferroelectric thin films
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7:2:4:54 Photo-induced electric phenomena in antiferromagnetic BiFeO3 ceramics
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7:2:4:55 Effect of diamagnetic barium substitution on magnetic and photovoltaic properties in multiferroic BiFeO3
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7:2:4:56 Polarization effect on the photocurrent of Pt sandwiched multi-crystalline ferroelectric films
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7:2:4:57 Influence of work-function of top electrodes on the photovoltaic characteristics of Pb0.95La0.05Zr0.54Ti0.46O3 thin film capacitors
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7:2:4:58 Light-Induced Modulation in Resistance Switching of Carbon Nanotube/BiFeO3/Pt Heterostructure
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7:2:4:59 Photovoltaic property of sputtered BiFeO3 thin films
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7:2:4:60 The effect of polarization fatigue process and light illumination on the transport behavior of Bi0.9La0.1FeO3 sandwiched capacitor
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7:2:4:61 Photovoltaic effect of lead-free (Na0.82K0.18)(0.5)Bi4.5Ti4O15 ferroelectric thin film using Pt and indium tin oxide top electrodes
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7:2:4:62 Photovoltaic properties of BiFeO3 thin film capacitors by using Al-doped zinc oxide as top electrode
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7:2:4:63 Effect of electrode configurations on the process-induced imprint behavior of epitaxial Pb(Zr0.52Ti0.48)O-3 capacitors
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7:2:4:64 Oxygen vacancies induced switchable and nonswitchable photovoltaic effects in Ag/Bi0.9La0.1FeO3/La0.7Sr0.3MnO3 sandwiched capacitors
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7:2:4:65 Photovoltaic effect in an indium-tin-oxide/ZnO/BiFeO3/Pt heterostructure
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7:2:4:66 Effect of cooling oxygen pressure on the photoconductivity in Bi0.9La0.1FeO3 thin films
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7:2:4:67 Surface dominant photoresponse of multiferroic BiFeO3 nanowires under sub-bandgap illumination
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7:2:4:68 Semiconducting ferroelectric perovskites with intermediate bands via B-site Bi5+ doping
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7:2:4:69 Ferroelectric and photovoltaic properties of transition metal doped Pb(Zr0.14Ti0.56Ni0.30)O3-delta thin films
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7:2:4:70 Polar properties of hydrothermally synthesized BiFeO3 thin films
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7:2:4:71 Detection of electrically formed photosensitive area in Ca-doped BiFeO3 thin films
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7:2:4:72 Effect of interface configurations on the dynamic scaling behavior of Pb(Zr0.53Ti0.47)O-3 thin films
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7:2:4:73 Light-Induced Modulation in Resistance Switching of Carbon Nanotube/BiFeO3/Pt Heterostructure
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7:2:4:74 Enhancement of photovoltaic properties with Nb modified (Bi, Na) TiO3-BaTiO3 ferroelectric ceramics
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7:2:4:75 Photovoltaic effects in Bi4Ti3O12 thin film prepared by a sol-gel method
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7:2:4:76 Photovoltaic effect of TiO2 thick films with an ultrathin BiFeO3 as buffer layer
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7:2:4:77 Characteristics of Pt/BiFeO3/TiO2/Si capacitors with TiO2 layer formed by liquid-delivery metal organic chemical vapor deposition
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7:2:4:79 Epitaxial ferroelectric BiFeO3 thin films for unassisted photocatalytic water splitting
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7:2:4:80 Field-effect BaTiO3-Si solar cells
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7:2:4:81 Characterization of ferroelectric material properties of multifunctional lead zirconate titanate for energy harvesting sensor nodes
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7:2:4:82 Prediction of a Linear Spin Bulk Photovoltaic Effect in Antiferromagnets
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7:2:4:83 Optical rectification and current injection in unbiased semiconductors
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7:2:4:84 Photovoltaic properties of Aurivillius phase Bi5FeTi3O15 thin films grown by pulsed laser deposition
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7:2:4:85 Ferroelectric-semiconductor photovoltaics: Non-PN junction solar cells
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7:2:4:86 Mechanism of polarization fatigue in BiFeO3: The role of Schottky barrier
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7:2:4:87 Temperature Control of P(VDF-TrFE) Copolymer Thin Films
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7:2:4:88 Optical transitions in magnetoelectric Ga0.6Fe1.4O3 from 0.73 to 6.45 eV
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7:2:4:89 Photocurrent Properties of BiFeO3 Thin Films Prepared by Chemical Solution Deposition
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7:2:4:90 Comparative Study on Structural and Ferroelectric Properties of Dual-Site Rare-Earth Ions Substituted Multiferroelectric BiFeO3
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7:2:4:91 Effect of Poling on Photovoltaic Properties in Highly Oriented BiFeO3 Thin Films
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7:2:4:92 High retention of the polarization and depolarization field in polycrystalline metal/Pb(ZrTi)O-3/metal capacitors
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7:2:4:93 ELECTRONICS Electronic materials through time
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7:2:4:94 Photovoltaic effect in a wide-area semiconductor-ferroelectric device (vol 99, 092906, 2011)
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7:2:4:95 A ferroelectric-semiconductor-coupled solar cell with tunable photovoltage
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7:2:4:96 Study of Ferroelectic Properties in Ferroelectric/High-k Dielectric Bilayers
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7:2:4:97 Influence of Ti substitution on the electrical properties of metal-ferroelectric (BiFeO3)-insulator (HfO2)-silicon structures for nonvolatile memory applications
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7:2:4:98 Ultraviolet-light-induced multi-physics behaviors of 0-3 polarized transparent PLZT plates: II. Finite element analysis and validation
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7:2:5:1 A Resistive Memory in Semiconducting BiFeO3 Thin-Film Capacitors
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7:2:5:2 Switchable diode effect and ferroelectric resistive switching in epitaxial BiFeO3 thin films
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7:2:5:3 Polarity control of carrier injection at ferroelectric/metal interfaces for electrically switchable diode and photovoltaic effects
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7:2:5:4 Resistance switching in polycrystalline BiFeO3 thin films
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7:2:5:5 Impact of Bi Deficiencies on Ferroelectric Resistive Switching Characteristics Observed at p-Type Schottky-Like Pt/Bi1-dFeO3 Interfaces
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7:2:5:6 Polarization-controlled Ohmic to Schottky transition at a metal/ferroelectric interface
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7:2:5:7 Bipolar Electric-Field Enhanced Trapping and Detrapping of Mobile Donors in BiFeO3 Memristors
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7:2:5:8 Nonvolatile bipolar resistive switching in Au/BiFeO3/Pt
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7:2:5:9 Large Resistive Switching in Ferroelectric BiFeO3 Nano-Island Based Switchable Diodes
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7:2:5:10 Nonvolatile resistive switching in metal/La-doped BiFeO3/Pt sandwiches
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7:2:5:11 Ferroelectric Schottky diode behavior from a SrRuO3-Pb(Zr0.2Ti0.8)O-3-Ta structure
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7:2:5:12 The conduction mechanism of large on/off ferroelectric diode currents in epitaxial (111) BiFeO3 thin film
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7:2:5:13 Carrier accumulation near electrodes in ferroelectric films due to polarization boundary conditions
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7:2:5:14 Numerical investigation into the switchable diode effect in metal-ferroelectric-metal structures
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7:2:5:15 Evolution of the resistive switching in chemical solution deposited-derived BiFeO3 thin films with dwell time and annealing temperature
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7:2:5:16 Continuous Control of Charge Transport in Bi-Deficient BiFeO3 Films Through Local Ferroelectric Switching
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7:2:5:17 Nonvolatile bipolar resistance switching effects in multiferroic BiFeO3 thin films on LaNiO3-electrodized Si substrates
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7:2:5:18 Ferroelectric memristor based on Pt/BiFeO3/Nb-doped SrTiO3 heterostructure
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7:2:5:19 Electrode interface control of the Schottky diode-like behavior in epitaxial Pb(Zr0.2Ti0.8)O-3 thin films: A critical analysis
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7:2:5:20 Unipolar resistive switching behavior of BiFeO3 thin films prepared by chemical solution deposition
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7:2:5:21 Nonpolar resistive switching in Mn-doped BiFeO3 thin films by chemical solution deposition
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7:2:5:22 Screening effects in ferroelectric resistive switching of BiFeO3 thin films
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7:2:5:23 Evidence for a Crucial Role Played by Oxygen Vacancies in LaMnO3 Resistive Switching Memories
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7:2:5:24 Switchable diode effect in ferroelectric thin film: High dependence on poling process and temperature
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7:2:5:25 Annealing effect on the bipolar resistive switching behaviors of BiFeO3 thin films on LaNiO3-buffered Si substrates
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7:2:5:26 Persistence of Ferroelectricity in BaTiO3 through the Insulator-Metal Transition
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7:2:5:27 Resistive switching artificially induced in a dielectric/ferroelectric composite diode
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7:2:5:28 Temperature-dependent and polarization-tuned resistive switching in Au/BiFeO3/SrRuO3 junctions
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7:2:5:29 Forming-Free Resistive Switching in Multiferroic BiFeO3 thin Films with Enhanced Nanoscale Shunts
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7:2:5:30 Hole conduction and nonlinear current-voltage behavior in multiferroic lanthanum-substituted bismuth ferrite
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7:2:5:31 Multiferroic and resistive switching behaviors in BiFe0.95Cr0.05O3 thin films deposited on Pt/Ti/SiO2/Si substrates
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7:2:5:32 Switchable diode effect in polycrystalline Bi3.15Nd0.85Ti3O12 thin films for resistive memories
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7:2:5:33 Resistive switching characteristics in dielectric/ferroelectric composite devices improved by post-thermal annealing at relatively low temperature
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7:2:5:34 Confinement of Ferroelectric Domain-Wall Motion at Artificially Formed Conducting-Nanofilaments in Epitaxial BiFeO3 Thin Films
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7:2:5:35 Rectifying behavior and transport mechanisms of currents in Pt/BaTiO3/Nb:SrTiO3 structure
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7:2:5:36 Coexistence of unipolar and bipolar resistive switching in BiFeO3 and Bi0.8Ca0.2FeO3 films
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7:2:5:37 Exploiting Memristive BiFeO3 Bilayer Structures for Compact Sequential Logics
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7:2:5:38 Direct observation of ferroelectric polarization-modulated band bending at oxide interfaces
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7:2:5:39 Negative differential resistance and resistance switching behaviors in BaTiO3 thin films
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7:2:5:40 Multilevel recording in Bi-deficient Pt/BFO/SRO heterostructures based on ferroelectric resistive switching targeting high-density information storage in nonvolatile memories
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7:2:5:41 Modeling of hysteretic Schottky diode-like conduction in Pt/BiFeO3/SrRuO3 switches
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7:2:5:42 Resistive switching and threshold switching behaviors in La0.1Bi0.9Fe1-xCoxO3 ceramics
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7:2:5:43 Influence of thickness on optical and structural properties of BiFeO3 thin films: PLD grown
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7:2:5:44 Low temperature dependent ferroelectric resistive switching in epitaxial BiFeO3 films
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7:2:5:45 Magnetism and electrode dependant resistive switching in Ca-doped ceramic bismuth ferrite
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7:2:5:46 Large rectifying leakage current in Pt/BaTiO3/Nb:SrTiO3/Pt structure
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7:2:5:47 Phase-field modeling of switchable diode-like current-voltage characteristics in ferroelectric BaTiO3
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7:2:5:48 Diode and photocurrent effect in ferroelectric BaTiO3-delta
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7:2:5:49 Effect of ferroelectric parameters on ferroelectric diodes
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7:2:5:50 Observation of three crystalline layers in hydrothermally grown BiFeO3 thick films
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7:2:5:51 Novel implementation of memristive systems for data encryption and obfuscation
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7:2:5:52 Bipolar resistance switching and photocurrent in a BaTiO3-delta thin film
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7:2:5:53 Chemical solution deposition derived (001)-oriented epitaxial BiFeO3 thin films with robust ferroelectric properties using stoichiometric precursors (invited)
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7:2:5:54 Potential barrier increase due to Gd doping of BiFeO3 layers in Nb:SrTiO3-BiFeO3-Pt structures displaying diode-like behavior
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7:2:5:55 Local resistive switching of Nd doped BiFeO3 thin films
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7:2:5:56 Improvement in resistive switching of Ba-doped BiFeO3 films
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7:2:5:57 Ferroelectric Instability Under Screened Coulomb Interactions
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7:2:5:58 Defect-Mediated Lattice Relaxation and Domain Stability in Ferroelectric Oxides
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7:2:5:60 Resistive switching in doped BiFeO3 films
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7:2:5:61 Doping and temperature-dependent optical properties of oxygen-reduced BaTiO3-delta
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7:2:5:62 Resistive Switching Hysteresis in Thin Films of Bismuth Ferrite
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7:2:5:63 Substrate effect on the resistive switching in BiFeO3 thin films
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7:2:5:64 Unidirectional bulk conduction and the anomalous temperature dependence of drift current under a trap-density gradient
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7:2:5:65 Resistive switching properties of Ce and Mn co-doped BiFeO3 thin films for nonvolatile memory application
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7:2:5:66 Self-assembled nanoscale capacitor cells based on ultrathin BiFeO3 films
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7:2:5:67 Interfacial Nb-substitution induced anomalous enhancement of polarization and conductivity in BaTiO3 ferroelectric tunnel junctions
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7:2:5:68 Role of defects in BiFeO3 multiferroic films and their local electronic structure by x-ray absorption spectroscopy
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7:2:5:69 Prominent electric properties of BiFeO3 shells sputtered on ZnO-nanorod cores with LaNiO3 buffer layers
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7:2:5:70 Ferroelectricity-induced resistive switching in Pb(Zr0.52Ti0.48)O-3/Pr0.7Ca0.3MnO3/Nb-doped SrTiO3 epitaxial heterostructure
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7:2:5:72 Resistive switching behavior of (Zn1-xMgx)O films prepared by sol-gel processes
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7:2:5:73 Unidirectional bulk conduction under trap density gradient for description of resistance switching
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7:2:6:1 Universal Behavior and Electric-Field-Induced Structural Transition in Rare-Earth-Substituted BiFeO3
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7:2:6:2 Structural Evolution of the BiFeO3-LaFeO3 System
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7:2:6:4 Reorientation of magnetic dipoles at the antiferroelectric-paraelectric phase transition of Bi1-xNdxFeO3 (0.15 <= x <= 0.25)
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7:2:6:6 Novel Nanoscale Twinned Phases in Perovskite Oxides
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7:2:6:7 Structure and Magnetic Properties of BiFe0.75Mn0.25O3 Perovskite Prepared at Ambient and High Pressure
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7:2:6:8 Ti-Doping to Reduce Conductivity in Bi0.85Nd0.15FeO3 Ceramics
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7:2:6:9 Displacive Phase Transitions and Magnetic Structures in Nd-Substituted BiFeO3
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7:2:6:10 Structural and magnetic properties of isovalently substituted multiferroic BiFeO3: Insights from Raman spectroscopy
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7:2:6:11 The beta-to-gamma Transition in BiFeO3: A Powder Neutron Diffraction Study
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7:2:6:12 Rhombohedral-to-orthorhombic transition and multiferroic properties of Dy-substituted BiFeO3
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7:2:6:13 Strain driven structural phase transformations in dysprosium doped BiFeO3 ceramics
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7:2:6:14 Mn substitution-driven structural and magnetic phase evolution in Bi1-xSmxFeO3 multiferroics
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7:2:6:15 Weak ferromagnetism and nanodimensional ferroelectric domain structure stabilized in the polar phase of Bi1-xNdxFeO3 multiferroics via Ti doping
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7:2:6:16 Strong smearing and disappearance of phase transitions into polar phases due to inhomogeneous lattice strains induced by A-site doping in Bi(1-x)A(x)FeO(3) (A: La, Sm, Gd)
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7:2:6:17 Mn substitution-modified polar phase in the Bi1-xNdxFeO3 multiferroics
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7:2:6:19 Local stabilisation of polar order at charged antiphase boundaries in antiferroelectric (Bi0.85Nd0.15)(Ti0.1Fe0.9)O-3
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7:2:6:23 Antipolar phase in multiferroic BiFeO3 at high pressure
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7:2:6:24 Phase diagram of BiFeO3/LaFeO3 superlattices studied by x-ray diffraction experiments and first-principles calculations
DOI:10.1103/PhysRevB.90.104106 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Rispens, Gijsbert;Ziegler, Benedikt;Paruch, Patrycja;Zanolli, Zeila;Iniguez, Jorge;Ghosez, Philippe;
7:2:6:25 Phase coexistence near a morphotropic phase boundary in Sm-doped BiFeO3 films
DOI:10.1063/1.3481065 JN:APPLIED PHYSICS LETTERS PY:2010 TC:28 AU: Emery, S. B.;Cheng, C. -J.;Kan, D.;Rueckert, F. J.;Alpay, S. P.;Nagarajan, V.;Takeuchi, I.;Wells, B. O.;
7:2:6:26 Evolution of crystal structure and ferroic properties of La-doped BiFeO3 ceramics near the rhombohedral-orthorhombic phase boundary
DOI:10.1016/j.jallcom.2012.12.055 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:10 AU: Karpinsky, D. V.;Troyanchuk, I. O.;Tovar, M.;Sikolenko, V.;Efimov, V.;Kholkin, A. L.;
7:2:6:27 Nanoscale Structural and Chemical Properties of Antipolar Clusters in Sm-Doped BiFeO3 Ferroelectric Epitaxial Thin Films
DOI:10.1021/cm903618y JN:CHEMISTRY OF MATERIALS PY:2010 TC:28 AU: Cheng, Ching-Jung;Borisevich, Albina Y.;Kan, Daisuke;Takeuchi, Ichiro;Nagarajan, Valanoor;
7:2:6:28 Structural transitions and unusual magnetic behavior in Mn-doped Bi1-xLaxFeO3 perovskites
DOI:10.1063/1.4759435 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:7 AU: Khomchenko, V. A.;Troyanchuk, I. O.;Karpinsky, D. V.;Das, S.;Amaral, V. S.;Tovar, M.;Sikolenko, V.;Paixao, J. A.;
7:2:6:29 Phase transformations in multiferroic Bi1-xLaxFe1-yTiyO3 ceramics probed by temperature dependent Raman scattering
DOI:10.1063/1.4900439 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Xu, L. P.;Zhang, L. L.;Zhang, X. L.;Zhang, J. Z.;Hu, Z. G.;Yu, J.;Chu, J. H.;
7:2:6:30 Microstructure-electromechanical property correlations in rare-earth-substituted BiFeO3 epitaxial thin films at morphotropic phase boundaries
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7:2:6:31 Change in the magnetic structure of (Bi,Sm) FeO3 thin films at the morphotropic phase boundary probed by neutron diffraction
DOI:10.1063/1.4901294 JN:APL MATERIALS PY:2014 TC:0 AU: Maruyama, Shingo;Anbusathaiah, Varatharajan;Fennell, Amy;Enderle, Mechthild;Takeuchi, Ichiro;Ratcliff, William D.;
7:2:6:32 Magnetically Driven Dielectric and Structural Behavior in Bi0.5La0.5FeO3
DOI:10.1021/cm302513q JN:CHEMISTRY OF MATERIALS PY:2012 TC:6 AU: Kavanagh, Christopher M.;Goff, Richard J.;Daoud-Aladine, Aziz;Lightfoot, Philip;Morrison, Finlay D.;
7:2:6:33 Effect of Sm substitution on ferroelectric and magnetic properties of BiFeO3
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7:2:6:34 Novel Nanorod Precipitate Formation in Neodymium and Titanium Codoped Bismuth Ferrite
DOI:10.1002/adfm.201201835 JN:ADVANCED FUNCTIONAL MATERIALS PY:2013 TC:8 AU: MacLaren, Ian;Wang, Li Qiu;Schaffer, Bernhard;Ramasse, Quentin M.;Craven, Alan J.;Selbach, Sverre M.;Spaldin, Nicola A.;Miao, Shu;Kalantari, Kambiz;Reaney, Ian M.;
7:2:6:35 Large Piezoelectric Coefficient in Tb-Doped BiFeO3 Films
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7:2:6:36 Temperature and Composition-Induced Structural Transitions in Bi1-xLa (Pr)(x)FeO3 Ceramics
DOI:10.1111/jace.12978 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:3 AU: Karpinsky, Dmitry V.;Troyanchuk, Igor O.;Tovar, Michael;Sikolenko, Vadim;Efimov, Vadim;Efimova, Ekaterina;Shur, Vladimir Ya;Kholkin, Andrei L.;
7:2:6:37 Spontaneous magnetization in the polar phase of Bi1-xCaxFeO3-2/x perovskites: The role of anion vacancies
DOI:10.1063/1.4903315 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Khomchenko, V. A.;Paixao, J. A.;
7:2:6:38 Combinatorial search of structural transitions: Systematic investigation of morphotropic phase boundaries in chemically substituted BiFeO3
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7:2:6:39 Phase coexistence in Bi1-xPrxFeO3 ceramics
DOI:10.1007/s10853-014-8398-6 JN:JOURNAL OF MATERIALS SCIENCE PY:2014 TC:2 AU: Karpinsky, D. V.;Troyanchuk, I. O.;Sikolenko, V.;Efimov, V.;Efimova, E.;Willinger, M.;Salak, A. N.;Kholkin, A. L.;
7:2:6:40 Complex antipolar root 2 x 4 x 2 root 2 structure with Pnma symmetry in BiFeO3 and BiFe1/2Sc1/2O3: First-principles calculations
DOI:10.1103/PhysRevB.90.054110 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Prosandeev, Sergey A.;Khalyavin, Dmitry D.;Raevski, Igor P.;Salak, Andrei N.;Olekhnovich, Nikolai M.;Pushkarev, Anatoly V.;Radyush, Yury V.;
7:2:6:41 Ca-Doping of BiFeO3: The Role of Strain in Determining Coupling between Ferroelectric Displacements, Magnetic Moments, Octahedral Tilting, and Oxygen-Vacancy Ordering
DOI:10.1021/cm402962q JN:CHEMISTRY OF MATERIALS PY:2013 TC:13 AU: Schiemer, Jason A.;Withers, Ray L.;Liu, Yun;Carpenter, Michael A.;
7:2:6:42 Polar and antipolar polymorphs of metastable perovskite BiFe0.5Sc0.5O3
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7:2:6:43 Chemical Substitution-Induced Ferroelectric Polarization Rotation in BiFeO3
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7:2:6:44 Composition and temperature-induced structural evolution in La, Sm, and Dy substituted BiFeO3 epitaxial thin films at morphotropic phase boundaries
DOI:10.1063/1.3605492 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:14 AU: Kan, Daisuke;Cheng, Ching-Jung;Nagarajan, Valanoor;Takeuchi, Ichiro;
7:2:6:45 Effect of Dy-substitution on the structural, vibrational, and multiferroic properties of BiFeO3 nanoparticles
DOI:10.1063/1.4881529 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:8 AU: Muneeswaran, M.;Giridharan, N. V.;
7:2:6:46 Atomic-Scale Imaging and Quantification of Electrical Polarisation in Incommensurate Antiferroelectric Lanthanum-Doped Lead Zirconate Titanate
DOI:10.1002/adfm.201101220 JN:ADVANCED FUNCTIONAL MATERIALS PY:2012 TC:8 AU: MacLaren, Ian;Villaurrutia, Rafael;Schaffer, Bernhard;Houben, Lothar;Pelaiz-Barranco, Aime;
7:2:6:47 Ferroelectric Sm-Doped BiMnO3 Thin Films with Ferromagnetic Transition Temperature Enhanced to 140 K
DOI:10.1021/am501351c JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:0 AU: Choi, Eun-Mi;Kursumovic, Ahmed;Lee, Oon Jew;Kleibeuker, Josee E.;Chen, Aiping;Zhang, Wenrui;Wang, Haiyan;MacManus-Driscoll, Judith L.;
7:2:6:48 High Pressure Crystal and Magnetic Phase Transitions in Multiferroic Bi0.9La0.1FeO3
DOI:10.1021/cm403558j JN:CHEMISTRY OF MATERIALS PY:2014 TC:0 AU: Knee, Christopher S.;Tucker, Matthew G.;Manuel, Pascal;Cai, Shengzhen;Bielecki, Johan;Borjesson, Lars;Eriksson, Sten G.;
7:2:6:49 Displacive Phase Transitions and Intermediate Structures in Perovskites
DOI:10.1111/j.1551-2916.2010.04377.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:13 AU: Reaney, Ian M.;Woodward, David I.;Randall, Clive A.;
7:2:6:50 Electromechanical and magnetic properties of BiFeO3-LaFeO3-CaTiO3 ceramics near the rhombohedral-orthorhombic phase boundary
DOI:10.1063/1.4801960 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Karpinsky, D. V.;Troyanchuk, I. O.;Sikolenko, V.;Efimov, V.;Kholkin, A. L.;
7:2:6:51 Effect of dysprosium substitution on crystal structure and physical properties of multiferroic BiFeO3 ceramics
DOI:10.1016/j.jeurceramsoc.2013.10.002 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:9 AU: Koval, V.;Skorvanek, I.;Reece, M.;Mitoseriu, L.;Yan, H.;
7:2:6:52 Change in periodicity of the incommensurate magnetic order towards commensurate order in bismuth ferrite lead titanate
DOI:10.1016/j.jmmm.2010.07.043 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:18 AU: Stevenson, Tim;Comyn, Tim P.;Daoud-Aladine, Aziz;Bell, Andrew J.;
7:2:6:53 Terahertz and infrared studies of antiferroelectric phase transition in multiferroic Bi0.85Nd0.15FeO3
DOI:10.1063/1.3650241 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Goian, V.;Kamba, S.;Greicius, S.;Nuzhnyy, D.;Karimi, S.;Reaney, I. M.;
7:2:6:54 Structural phase transitions in Ti-doped Bi1-xNdxFeO3 ceramics
DOI:10.1063/1.3697666 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:6 AU: Kalantari, Kambiz;Sterianou, Iasmi;Sinclair, Derek C.;Bingham, Paul A.;Pokorny, Jan;Reaney, Ian M.;
7:2:6:55 Weak ferromagnetic polar phase in the BiFe1-xTixO3 multiferroics
DOI:10.1007/s10853-013-7186-z JN:JOURNAL OF MATERIALS SCIENCE PY:2013 TC:5 AU: Khomchenko, V. A.;Troyanchuk, I. O.;Sikolenko, V.;Paixao, J. A.;
7:2:6:56 Antiferroelectric-ferroelectric phase boundary enhances polarization extension in rhombohedral Pb(Zr,Ti)O-3
DOI:10.1063/1.3666233 JN:APPLIED PHYSICS LETTERS PY:2011 TC:5 AU: Ghosh, Anirban;Damjanovic, Dragan;
7:2:6:57 Defect chemistry of Ti-doped antiferroelectric Bi0.85Nd0.15FeO3
DOI:10.1063/1.4705431 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Reaney, Ian M.;MacLaren, Ian;Wang, Liqiu;Schaffer, Bernhard;Craven, Alan;Kalantari, Kambiz;Sterianou, Iasmi;Miao, Shu;Karimi, Sarah;Sinclair, Derek C.;
7:2:6:58 Rhombohedral-orthorhombic morphotropic phase boundary in BiFeO3-based multiferroics: first-principles prediction
DOI:10.1039/c1jm13582a JN:JOURNAL OF MATERIALS CHEMISTRY PY:2012 TC:13 AU: Lee, Jung-Hoon;Oak, Min-Ae;Choi, Hyoung Joon;Son, Jong Yeog;Jang, Hyun Myung;
7:2:6:59 The atomic structure and chemistry of Fe-rich steps on antiphase boundaries in Ti-doped Bi0.9Nd0.15FeO3
DOI:10.1063/1.4884684 JN:APL MATERIALS PY:2014 TC:0 AU: MacLaren, Ian;Wang, LiQiu;Craven, Alan J.;Ramasse, Quentin M.;Schaffer, Bernhard;Kalantari, Kambiz;Reaney, Ian M.;
7:2:6:60 Mn doping-induced structural and magnetic transformations in the antiferroelectric phase of the Bi1-xNdxFeO3 perovskites
DOI:10.1063/1.4752277 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Khomchenko, V. A.;Troyanchuk, I. O.;Maria, T. M. R.;Karpinsky, D. V.;Das, S.;Amaral, V. S.;Paixao, J. A.;
7:2:6:61 Anomalous polarization in the antiferroelectric-ferroelectric phase coexistence state in PbZrO3-Bi(Mg1/2Ti1/2)O-3
DOI:10.1063/1.4847475 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Vadlamani, Bhaskar Sravan;Lalitha, K., V;Ranjan, Rajeev;
7:2:6:62 Large remnant polarization and magnetic field induced destruction of cycloidal spin structure in Bi1-xLaxFeO3 (0 <= x <= 0.2)
DOI:10.1063/1.4808353 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:7 AU: Yin, L. H.;Yang, J.;Zhao, B. C.;Liu, Y.;Tan, S. G.;Tang, X. W.;Dai, J. M.;Song, W. H.;Sun, Y. P.;
7:2:6:63 Low-Temperature Magnetic and Dielectric Anomalies in Rare-Earth-Substituted BiFeO3 Ceramics
DOI:10.1111/jace.13328 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:0 AU: Koval, Vladimir;Skorvanek, Ivan;Yan, Haixue;
7:2:6:64 Structure and multiferroic properties of Bi(1-x)DyxFe0.90Mg0.05Ti0.05O3 solid solution
DOI:10.1063/1.4790326 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Li, Nan;Wu, Jiangtao;Jiang, Yaqi;Xie, Zhaoxiong;Zheng, Lansun;Ye, Zuo-Guang;
7:2:6:65 Multiferroic properties of Bi1-xDyxFeO3 (x=0-0.2) ceramics at various temperatures
DOI:10.1016/j.matlet.2011.12.119 JN:MATERIALS LETTERS PY:2012 TC:9 AU: Sun, Chen;Wang, Yiping;Yang, Ying;Yuan, Guoliang;Yin, Jiang;Liu, Zhiguo;
7:2:6:66 Intermediate structural phases in rare-earth substituted BiFeO3
DOI:10.1016/j.materresbull.2009.12.018 JN:MATERIALS RESEARCH BULLETIN PY:2010 TC:16 AU: Khomchenko, V. A.;Paixao, J. A.;Kiselev, D. A.;Kholkin, A. L.;
7:2:6:67 Enhanced ferroelectric properties in Bi0.86Sm0.14FeO3-based ceramics
DOI:10.1063/1.4901901 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Shi, Xin Xin;Qin, Ying;Chen, Xiang Ming;
7:2:6:68 The oxygen octahedral distortion induced magnetic enhancement in multiferroic Bi1-xYbxFe0.95Co0.05O3 powders
DOI:10.1016/j.jallcom.2014.03.108 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Chen, Longsheng;He, Yonghou;Zhang, Jiang;Mao, Zhongquan;Zhao, Yu-Jun;Chen, Xi;
7:2:6:69 Enhanced piezoelectric and magnetic properties of Bi1-xCaxFe1-x/2Nbx/2O3 solid solutions
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7:2:6:70 Improved dielectric and magnetic properties of Ti modified BiCaFeO3 multiferroic ceramics
DOI:10.1063/1.4774283 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Reetu;Agarwal, Ashish;Sanghi, Sujata;Ashima;Ahlawat, Neetu;
7:2:6:71 Effect of Pr- and Nd- doping on structural, dielectric, and magnetic properties of multiferroic Bi0.8La0.2Fe0.9Mn0.1O3
DOI:10.1063/1.4870454 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Singh, Rahul;Dwivedi, G. D.;Shahi, P.;Kumar, D.;Prakash, Om;Ghosh, A. K.;Chatterjee, Sandip;
7:2:6:72 Synthesis and characterization of Bi-1 (-) xNdxFeO3 thin films deposited using a high throughput physical vapour deposition technique
DOI:10.1016/j.tsf.2012.12.012 JN:THIN SOLID FILMS PY:2013 TC:2 AU: Darby, M. S. B.;Karpinsky, D. V.;Pokorny, J.;Guerin, S.;Kholkin, A. L.;Miao, S.;Hayden, B. E.;Reaney, I. M.;
7:2:6:73 Synthesis, structural and electrical properties of Bi1-xDyxFeO3 multiferroic ceramics
DOI:10.1016/j.ceramint.2012.12.041 JN:CERAMICS INTERNATIONAL PY:2013 TC:6 AU: Barbar, S. K.;Jangid, S.;Roy, M.;Chou, F. C.;
7:2:6:74 Development of an Atomic Level Model for BiFeO3 from First-Principles
DOI:10.1080/00150193.2014.889905 JN:FERROELECTRICS PY:2014 TC:0 AU: Graf, M.;Sepliarsky, M.;Stachiotti, M.;Tinte, S.;
7:2:6:75 Universal emergence of spatially modulated structures induced by flexoantiferrodistortive coupling in multiferroics
DOI:10.1103/PhysRevB.88.224105 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:2:6:76 High-temperature phases of multiferroic BiFe0.7Mn0.3O3
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7:2:6:77 Photovoltaic phenomena in BiFeO3 multiferroic ceramics
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7:2:6:78 Phase diagram of BiFeO3/LaFeO3 superlattices studied by x-ray diffraction experiments and first-principles calculations (vol 90, 104106, 2014)
DOI:10.1103/PhysRevB.90.139905 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Rispens, Gijsbert;Ziegler, Benedikt;Zanolli, Zeila;Iniguez, Jorge;Ghosez, Philippe;Paruch, Patrycja;
7:2:6:79 Electron Transfer Between Ionized Vacancies in Lead Zirconate Titanate and its Effects on Piezoelectric Properties and Squeeze Behavior
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7:2:6:80 Bismuth ferrite bilayered thin films of different constituent layer thicknesses
DOI:10.1016/j.jallcom.2011.04.140 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:1 AU: Wu, Jiagang;Wang, John;Xiao, Dingquan;Zhu, Jianguo;
7:2:7:1 Real Space Mapping of Li-Ion Transport in Amorphous Si Anodes with Nanometer Resolution
DOI:10.1021/nl101439x JN:NANO LETTERS PY:2010 TC:97 AU: Balke, Nina;Jesse, Stephen;Kim, Yoongu;Adamczyk, Leslie;Tselev, Alexander;Ivanov, Ilia N.;Dudney, Nancy J.;Kalinin, Sergei V.;
7:2:7:2 Probing Surface and Bulk Electrochemical Processes on the LaAlO3-SrTiO3 Interface
DOI:10.1021/nn204960c JN:ACS NANO PY:2012 TC:29 AU: Kumar, Amit;Arruda, Thomas M.;Kim, Yunseok;Ivanov, Ilia N.;Jesse, Stephen;Bark, Chung W.;Bristowe, Nicholas C.;Artacho, Emilio;Littlewood, Peter B.;Eom, Chang-Beom;Kalinin, Sergei V.;
7:2:7:3 Nanoscale electromechanics of paraelectric materials with mobile charges: Size effects and nonlinearity of electromechanical response of SrTiO3 films
DOI:10.1103/PhysRevB.84.045402 JN:PHYSICAL REVIEW B PY:2011 TC:31 AU: Morozovska, A. N.;Eliseev, E. A.;Svechnikov, G. S.;Kalinin, S. V.;
7:2:7:4 Decoupling Electrochemical Reaction and Diffusion Processes in Ionically-Conductive Solids on the Nanometer Scale
DOI:10.1021/nn101502x JN:ACS NANO PY:2010 TC:45 AU: Balke, Nina;Jesse, Stephen;Kim, Yoongu;Adamczyk, Leslie;Ivanov, Ilia N.;Dudney, Nancy J.;Kalinin, Sergei V.;
7:2:7:5 Thermodynamics of electromechanically coupled mixed ionic-electronic conductors: Deformation potential, Vegard strains, and flexoelectric effect
DOI:10.1103/PhysRevB.83.195313 JN:PHYSICAL REVIEW B PY:2011 TC:27 AU: Morozovska, A. N.;Eliseev, E. A.;Tagantsev, A. K.;Bravina, S. L.;Chen, Long-Qing;Kalinin, S. V.;
7:2:7:6 Polarization Dynamics in Ferroelectric Capacitors: Local Perspective on Emergent Collective Behavior and Memory Effects
DOI:10.1002/adfm.201203422 JN:ADVANCED FUNCTIONAL MATERIALS PY:2013 TC:7 AU: Vasudevan, Rama K.;Marincel, Daniel;Jesse, Stephen;Kim, Yunseok;Kumar, Amit;Kalinin, Sergei V.;Trolier-McKinstry, Susan;
7:2:7:7 Ionically-Mediated Electromechanical Hysteresis in Transition Metal Oxides
DOI:10.1021/nn3020757 JN:ACS NANO PY:2012 TC:19 AU: Kim, Yunseok;Morozovska, Anna N.;Kumar, Amit;Jesse, Stephen;Eliseev, Eugene A.;Alibart, Fabien;Strukov, Dmitri;Kalinin, Sergei V.;
7:2:7:8 The Role of Electrochemical Phenomena in Scanning Probe Microscopy of Ferroelectric Thin Films
DOI:10.1021/nn2013518 JN:ACS NANO PY:2011 TC:38 AU: Kalinin, Sergei V.;Jesse, Stephen;Tselev, Alexander;Baddorf, Arthur P.;Balke, Nina;
7:2:7:9 Local probing of ionic diffusion by electrochemical strain microscopy: Spatial resolution and signal formation mechanisms
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7:2:7:10 Scanning Probe Microscopy in US Department of Energy Nanoscale Science Research Centers: Status, Perspectives, and Opportunities
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7:2:7:11 Mapping Irreversible Electrochemical Processes on the Nanoscale: Ionic Phenomena in Li Ion Conductive Glass Ceramics
DOI:10.1021/nl202039v JN:NANO LETTERS PY:2011 TC:31 AU: Arruda, Thomas M.;Kumar, Amit;Kalinin, Sergei V.;Jesse, Stephen;
7:2:7:12 Frequency dependent dynamical electromechanical response of mixed ionic-electronic conductors
DOI:10.1063/1.3673868 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:12 AU: Morozovska, A. N.;Eliseev, E. A.;Bravina, S. L.;Ciucci, Francesco;Svechnikov, G. S.;Chen, Long-Qing;Kalinin, S. V.;
7:2:7:13 Electromechanical probing of ionic currents in energy storage materials
DOI:10.1063/1.3446838 JN:APPLIED PHYSICS LETTERS PY:2010 TC:28 AU: Morozovska, A. N.;Eliseev, E. A.;Kalinin, S. V.;
7:2:7:14 Dynamic piezoresponse force microscopy: Spatially resolved probing of polarization dynamics in time and voltage domains
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7:2:7:15 Variable temperature electrochemical strain microscopy of Sm-doped ceria
DOI:10.1088/0957-4484/24/14/145401 JN:NANOTECHNOLOGY PY:2013 TC:7 AU: Kumar, Amit;Jesse, Stephen;Morozovska, Anna N.;Eliseev, Eugene;Tebano, Antonello;Yang, Nan;Kalinin, Sergei V.;
7:2:7:16 Defect thermodynamics and kinetics in thin strained ferroelectric films: The interplay of possible mechanisms
DOI:10.1103/PhysRevB.89.054102 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Morozovska, Anna N.;Eliseev, Eugene A.;Krishnan, P. S. Sankara Rama;Tselev, Alexander;Strelkov, Evgheny;Borisevich, Albina;Varenyk, Olexander V.;Morozovsky, Nicola V.;Munroe, Paul;Kalinin, Sergei V.;Nagarajan, Valanoor;
7:2:7:17 Nanoscale Probing of Voltage Activated Oxygen Reduction/Evolution Reactions in Nanopatterned (LaxSr1-x)CoO3-Cathodes
DOI:10.1002/aenm.201200681 JN:ADVANCED ENERGY MATERIALS PY:2013 TC:4 AU: Leonard, Donovan N.;Kumar, Amit;Jesse, Stephen;Biegalski, Michael D.;Christen, Hans M.;Mutoro, Eva;Crumlin, Ethan J.;Shao-Horn, Yang;Kalinin, Sergei V.;Borisevich, Albina Y.;
7:2:7:18 Probing Local Ionic Dynamics in Functional Oxides at the Nanoscale
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7:2:7:19 Direct Mapping of Ionic Transport in a Si Anode on the Nanoscale: Time Domain Electrochemical Strain Spectroscopy Study
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7:2:7:20 Electrochemical strain microscopy: Probing ionic and electrochemical phenomena in solids at the nanometer level
DOI:10.1557/mrs.2012.144 JN:MRS BULLETIN PY:2012 TC:17 AU: Jesse, Stephen;Kumar, Amit;Arruda, Thomas M.;Kim, Yunseok;Kalinin, Sergei V.;Ciucci, Francesco;
7:2:7:21 Nonlinear Phenomena in Multiferroic Nanocapacitors: Joule Heating and Electromechanical Effects
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7:2:7:22 Nanoscale Mapping of Lithium-Ion Diffusion in a Cathode within an All-Solid-State Lithium-Ion Battery by Advanced Scanning Probe Microscopy Techniques
DOI:10.1021/nn305648j JN:ACS NANO PY:2013 TC:10 AU: Zhu, Jing;Lu, Li;Zeng, Kaiyang;
7:2:7:23 Probing Bias-Dependent Electrochemical Gas-Solid Reactions in (LaxSr1-x)CoO3-delta Cathode Materials
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7:2:7:24 Resolution theory, and static and frequency-dependent cross-talk in piezoresponse force microscopy
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7:2:7:25 Local Electrochemical Functionality in Energy Storage Materials and Devices by Scanning Probe Microscopies: Status and Perspectives
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7:2:7:26 Nonlinear space charge dynamics in mixed ionic-electronic conductors: Resistive switching and ferroelectric-like hysteresis of electromechanical response
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7:2:7:27 Open-loop band excitation Kelvin probe force microscopy
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7:2:7:28 Effect of Doping on Surface Reactivity and Conduction Mechanism in Samarium-Doped Ceria Thin Films
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7:2:7:29 Delineating local electromigration for nanoscale probing of lithium ion intercalation and extraction by electrochemical strain microscopy
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7:2:7:30 Second harmonic detection in the electrochemical strain microscopy of Ag-ion conducting glass
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7:2:7:31 Spatially resolved probing of Preisach density in polycrystalline ferroelectric thin films
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7:2:7:32 Humidity Effect on Nanoscale Electrochemistry in Solid Silver Ion Conductors and the Dual Nature of Its Locality
DOI:10.1021/nl5040286 JN:NANO LETTERS PY:2015 TC:0 AU: Yang, Sang Mo;Strelcov, Evgheni;Paranthaman, M. Parans;Tselev, Alexander;Noh, Tae Won;Kalinin, Sergei V.;
7:2:7:33 Real-space mapping of dynamic phenomena during hysteresis loop measurements: Dynamic switching spectroscopy piezoresponse force microscopy
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7:2:7:34 Electrostrictive and electrostatic responses in contact mode voltage modulated scanning probe microscopies
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7:2:7:35 Electrochemical strain microscopy with blocking electrodes: The role of electromigration and diffusion
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7:2:7:36 Oxygen nonstoichiometry, defect structure and defect-induced expansion of undoped perovskite LaMnO3 (+/-) (delta)
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7:2:7:37 High-Frequency Electromechanical Imaging of Ferroelectrics in a Liquid Environment
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7:2:7:38 Defective Interfaces in Yttrium-Doped Barium Zirconate Films and Consequences on Proton Conduction
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7:2:7:39 Self-consistent modeling of electrochemical strain microscopy of solid electrolytes
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7:2:7:40 Nanopatterning of carbonaceous structures by field-induced carbon dioxide splitting with a force microscope
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7:2:7:41 Mechanisms of electromechanical coupling in strain based scanning probe microscopy
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7:2:7:42 Three-dimensional vector electrochemical strain microscopy
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7:2:7:43 Nanoscale impedance and complex properties in energy-related systems
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7:2:7:44 Local Detection of Activation Energy for Ionic Transport in Lithium Cobalt Oxide
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7:2:7:45 Switching spectroscopic measurement of surface potentials on ferroelectric surfaces via an open-loop Kelvin probe force microscopy method
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7:2:7:46 Voltage induced local hysteretic phase switching in silicon
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7:2:7:47 Water-mediated electrochemical nano-writing on thin ceria films
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7:2:7:48 Spatially resolved mapping of disorder type and distribution in random systems using artificial neural network recognition
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7:2:7:49 Probing Local Electromechanical Effects in Highly Conductive Electrolytes
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7:2:7:50 Nanoscale In Situ Characterization of Li-ion Battery Electrochemistry Via Scanning Ion Conductance Microscopy
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7:2:7:51 Local measurements of Preisach density in polycrystalline ferroelectric capacitors using piezoresponse force spectroscopy
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7:2:7:52 Anomalous dielectric peak in Mg and Li doped ZnO ceramics and thin films
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7:2:7:53 Indentation of a punch with chemical or heat distribution at its base into transversely isotropic half-space: Application to local thermal and electrochemical probes
DOI:10.1063/1.4802097 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Karapetian, Edgar;Kalinin, Sergei V.;
7:2:7:54 The partially reversible formation of Li-metal particles on a solid Li electrolyte: applications toward nanobatteries
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7:2:7:55 Nanoscale Electrodes by Conducting Atomic Force Microscopy: Oxygen Reduction Kinetics at the Pt vertical bar CsHSO4 Interface
DOI:10.1021/nn100084h JN:ACS NANO PY:2010 TC:15 AU: Louie, Mary W.;Hightower, Adrian;Haile, Sossina M.;
7:2:7:56 Spatially Resolved Mapping of Oxygen Reduction/Evolution Reaction on Solid-Oxide Fuel Cell Cathodes with Sub-10 nm Resolution
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7:2:7:57 Room-temperature ferroelectricity in SrTiO3 nanodots array formed by an ac-bias field
DOI:10.1063/1.4820407 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Son, Jong Yeog;Lee, Jung-Hoon;Jang, Hyun Myung;
7:2:7:58 Nanoscale mapping of oxygen vacancy kinetics in nanocrystalline Samarium doped ceria thin films
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7:2:7:59 Imaging space charge regions in Sm-doped ceria using electrochemical strain microscopy
DOI:10.1063/1.4901102 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Chen, Qian Nataly;Adler, Stuart B.;Li, Jiangyu;
7:2:7:60 Quantitative nanoscopic impedance measurements on silver-ion conducting glasses using atomic force microscopy combined with impedance spectroscopy
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7:2:7:61 Ferromagnetism induced by magnetic vacancies as a size effect in thin films of nonmagnetic oxides
DOI:10.1016/j.tsf.2013.02.135 JN:THIN SOLID FILMS PY:2013 TC:2 AU: Glinchuk, Maya D.;Eliseev, Eugene A.;Khist, Victoria V.;Morozovska, Anna N.;
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7:2:8:73 Theoretical study on piezoresponse of ultrathin ferroelectric films
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7:2:8:74 Tunneling electroresistance effect in Pt/MgO/Pt/PbTiO3/Pt ferroelectric tunnel junctions
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7:2:8:75 Temperature-dependent tunneling electroresistance in Pt/BaTiO3/SrRuO3 ferroelectric tunnel junctions
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7:2:8:76 Polarization relaxation kinetics in ultrathin ferroelectric capacitors
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7:2:8:77 Spin-dependent resonant tunneling of multiferroic tunnel junction via head-to-head 180 degrees domain wall
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7:2:8:78 FERROELECTRIC TUNNEL JUNCTIONS Beyond the barrier
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7:2:8:79 Interface effect on the magnitude and stability of ferroelectric polarization in ultrathin PbTiO3 films from first-principles study
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7:2:8:80 A ferroelectric memristor
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7:2:8:82 La-doped BaTiO3 heterostructures: Compensating the polarization discontinuity
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7:2:8:83 Bias voltage effect on electron tunneling across a junction with a ferroelectric-ferromagnetic two-phase composite barrier
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7:2:8:84 Unveiling the atomic and electronic structure of the VN/MgO interface
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7:2:8:86 Modeling of the Nanodomain Formation in the Heterostructure "SPM Tip Electrode-Thin Ferroelectric Film-Semiconductor Substrate"
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7:2:9:1 Spontaneous Vortex Nanodomain Arrays at Ferroelectric Heterointerfaces
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7:2:9:2 Flux Closure Vortexlike Domain Structures in Ferroelectric Thin Films
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7:2:9:3 Exploring Topological Defects in Epitaxial BiFeO3 Thin Films
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7:2:9:4 High Speed SPM Applied for Direct Nanoscale Mapping of the Influence of Defects on Ferroelectric Switching Dynamics
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7:2:9:5 Domain Bundle Boundaries in Single Crystal BaTiO3 Lamellae: Searching for Naturally Forming Dipole Flux-Closure/Quadrupole Chains
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7:2:9:6 Closed-circuit domain quadruplets in BaTiO3 nanorods embedded in a SrTiO3 film
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7:2:9:7 Manipulating Ferroelectric Domains in Nanostructures Under Electron Beams
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7:2:9:8 Polarization Closure in PbZr(0.42)Ti(0.58)O3 Nanodots
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7:2:9:9 Ferroelectric effects in individual BaTiO3 nanocrystals investigated by electron holography
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7:2:9:10 Toroidal Ferroelectricity in PbTiO3 Nanoparticles
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7:2:9:11 Self-Similar Nested Flux Closure Structures in a Tetragonal Ferroelectric
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7:2:9:12 Exotic Domain States in Ferroelectrics: Searching for Vortices and Skyrmions
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7:2:9:13 Nano-Domain Pinning in Ferroelastic-Ferroelectrics by Extended Structural Defects
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7:2:9:14 Phase field simulations of stress controlling the vortex domain structures in ferroelectric nanosheets
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7:2:9:15 Coexistence of ferroelectric vortex domains and charged domain walls in epitaxial BiFeO3 film on (110)(o) GdScO3 substrate
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7:2:9:16 Unexpected Controllable Pair-Structure in Ferroelectric Nanodomains
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7:2:9:17 Electronic Properties of Electrical Vortices in Ferroelectric Nanocomposites from Large-Scale Ab Initio Computations
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7:2:9:18 Ferroelectric and electrical characterization of multiferroic BiFeO3 at the single nanoparticle level
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7:2:9:19 Voltage-Controlled Ferroelastic Switching in Pb(Zr0.2Ti0.8)O-3 Thin Films
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7:2:9:20 Nucleation, growth, and control of ferroelectric-ferroelastic domains in thin polycrystalline films
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7:2:9:21 Ferroelastic domain wall dynamics in ferroelectric bilayers
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7:2:9:30 Domain annihilation due to temperature and thickness gradients in single-crystal BaTiO3
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7:2:9:32 Domains Beyond the Grain Boundary
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7:2:9:34 Ultrafast switching of ferroelastic nanodomains in bilayered ferroelectric thin films
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7:2:9:40 Collective Dipole Behavior and Unusual Morphotropic Phase Boundary in Ferroelectric Pb(Zr0.5Ti0.5)O-3 Nanowires
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7:2:9:42 Scaling of superdomain bands in ferroelectric dots
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7:2:9:46 Direct Observations of Retention Failure in Ferroelectric Memories
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7:2:9:48 Pinning effects of dislocations on vortex domain structure in ferroelectric nanodots
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7:2:9:49 Vortex state in thin films of multicomponent ferroelectrics
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7:2:9:52 Electrical creep induced ferroelectric domain wall motion in BaTiO3 single crystal
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7:2:9:53 Faceting oscillations in nano-ferroelectrics
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7:2:9:54 Nanoscale Toroidal Ferroelectricity in PbTiO3
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7:2:9:55 Superdomain Structure in Epitaxial Tetragonal PZT Thin Films Under Tensile Strain
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7:2:9:58 Band theory of spatial dispersion in magnetoelectrics
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7:2:9:59 Flexoelectric rotation of polarization in ferroelectric thin films
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7:2:9:62 Inhomogeneous Polarization Switching in Finite-Size Cubic Ferroelectrics
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7:2:9:63 Enhanced piezoelectric performance from carbon fluoropolymer nanocomposites
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7:2:10:1 Large off-diagonal magnetoelectric coupling in the quantum paraelectric antiferromagnet EuTiO3
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7:2:10:2 Low-symmetry monoclinic ferroelectric phase stabilized by oxygen octahedra rotations in strained EuxSr1-xTiO3 thin films
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7:2:10:3 Relation between structural instabilities in EuTiO3 and SrTiO3
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7:2:10:4 Role of intrinsic disorder in the structural phase transition of magnetoelectric EuTiO3
DOI:10.1103/PhysRevB.85.184107 JN:PHYSICAL REVIEW B PY:2012 TC:34 AU: Allieta, Mattia;Scavini, Marco;Spalek, Leszek J.;Scagnoli, Valerio;Walker, Helen C.;Panagopoulos, Christos;Saxena, Siddharth S.;Katsufuji, Takuro;Mazzoli, Claudio;
7:2:10:5 Antiferrodistortive phase transition in EuTiO3
DOI:10.1103/PhysRevB.86.054112 JN:PHYSICAL REVIEW B PY:2012 TC:23 AU: Goian, V.;Kamba, S.;Pacherova, O.;Drahokoupil, J.;Palatinus, L.;Dusek, M.;Rohlicek, J.;Savinov, M.;Laufek, F.;Schranz, W.;Fuith, A.;Kachlik, M.;Maca, K.;Shkabko, A.;Sagarna, L.;Weidenkaff, A.;Belik, A. A.;
7:2:10:6 Origin of giant spin-lattice coupling and the suppression of ferroelectricity in EuTiO3 from first principles
DOI:10.1103/PhysRevB.88.094103 JN:PHYSICAL REVIEW B PY:2013 TC:6 AU: Birol, Turan;Fennie, Craig J.;
7:2:10:7 New multiferroics based on EuxSr1-xTiO3 nanotubes and nanowires
DOI:10.1063/1.4774208 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:14 AU: Eliseev, Eugene A.;Glinchuk, Maya D.;Khist, Victoria V.;Lee, Chan-Woo;Deo, Chaitanya S.;Behera, Rakesh K.;Morozovska, Anna N.;
7:2:10:8 Emergent Superstructural Dynamic Order due to Competing Antiferroelectric and Antiferrodistortive Instabilities in Bulk EuTiO3
DOI:10.1103/PhysRevLett.110.027201 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:21 AU: Kim, Jong-Woo;Thompson, Paul;Brown, Simon;Normile, Peter S.;Schlueter, John A.;Shkabko, Andrey;Weidenkaff, Anke;Ryan, Philip J.;
7:2:10:9 First-principles prediction of oxygen octahedral rotations in perovskite-structure EuTiO3
DOI:10.1103/PhysRevB.85.104109 JN:PHYSICAL REVIEW B PY:2012 TC:20 AU: Rushchanskii, Konstantin Z.;Spaldin, Nicola A.;Lezaic, Marjana;
7:2:10:10 Strong Spin-Lattice Coupling Through Oxygen Octahedral Rotation in Divalent Europium Perovskites
DOI:10.1002/adfm.201202477 JN:ADVANCED FUNCTIONAL MATERIALS PY:2013 TC:12 AU: Akamatsu, Hirofumi;Kumagai, Yu;Oba, Fumiyasu;Fujita, Koji;Tanaka, Katsuhisa;Tanaka, Isao;
7:2:10:11 Antiferromagnetic superexchange via 3d states of titanium in EuTiO3 as seen from hybrid Hartree-Fock density functional calculations
DOI:10.1103/PhysRevB.83.214421 JN:PHYSICAL REVIEW B PY:2011 TC:26 AU: Akamatsu, Hirofumi;Kumagai, Yu;Oba, Fumiyasu;Fujita, Koji;Murakami, Hideo;Tanaka, Katsuhisa;Tanaka, Isao;
7:2:10:12 Structural control of magnetic anisotropy in a strain-driven multiferroic EuTiO3 thin film
DOI:10.1103/PhysRevB.88.094434 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Ke, X.;Birol, T.;Misra, R.;Lee, J. -H.;Kirby, B. J.;Schlom, D. G.;Fennie, C. J.;Freeland, J. W.;
7:2:10:13 Strain dependent ultrafast carrier dynamics in EuTiO3 films
DOI:10.1063/1.4898787 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Li, Zhong-guo;Zhao, Run;Li, Weiwei;Wang, Haiyan;Yang, Hao;Song, Ying-lin;
7:2:10:14 Understanding and Revisiting Properties of EuTiO3 Bulk Material and Films from First Principles
DOI:10.1103/PhysRevLett.109.267602 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:15 AU: Yang, Yurong;Ren, Wei;Wang, Dawei;Bellaiche, L.;
7:2:10:15 Electric-field induced ferromagnetic phase in paraelectric antiferromagnets
DOI:10.1103/PhysRevB.89.014112 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Glinchuk, Maya D.;Eliseev, Eugene A.;Gu, Yijia;Chen, Long-Qing;Gopalan, Venkatraman;Morozovska, Anna N.;
7:2:10:16 EuTiO3 magnetic structure studied by neutron powder diffraction and resonant x-ray scattering
DOI:10.1103/PhysRevB.86.094432 JN:PHYSICAL REVIEW B PY:2012 TC:13 AU: Scagnoli, Valerio;Allieta, Mattia;Walker, Helen;Scavini, Marco;Katsufuji, Takuro;Sagarna, Leyre;Zaharko, Oksana;Mazzoli, Claudio;
7:2:10:17 Lattice instabilities in bulk EuTiO3
DOI:10.1103/PhysRevB.88.144308 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Bessas, D.;Rushchanskii, K. Z.;Kachlik, M.;Disch, S.;Gourdon, O.;Bednarcik, J.;Maca, K.;Sergueev, I.;Kamba, S.;Lezaic, M.;Hermann, R. P.;
7:2:10:18 Electric field modulation of the tetragonal domain orientation revealed in the magnetic ground state of quantum paraelectric EuTiO3
DOI:10.1103/PhysRevB.87.064103 JN:PHYSICAL REVIEW B PY:2013 TC:13 AU: Petrovic, A. P.;Kato, Y.;Sunku, S. S.;Ito, T.;Sengupta, P.;Spalek, L.;Shimuta, M.;Katsufuji, T.;Batista, C. D.;Saxena, S. S.;Panagopoulos, C.;
7:2:10:19 Elastic and anelastic relaxations associated with phase transitions in EuTiO3
DOI:10.1103/PhysRevB.90.054119 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Spalek, Leszek J.;Saxena, Siddharth S.;Panagopoulos, Christos;Katsufuji, Takuro;Schiemer, Jason A.;Carpenter, Michael A.;
7:2:10:20 Ferroelectricity and ferromagnetism in EuTiO3 nanowires
DOI:10.1103/PhysRevB.84.205403 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Morozovska, Anna N.;Glinchuk, Maya D.;Behera, Rakesh K.;Zaulychny, Basil;Deo, Chaitanya S.;Eliseev, Eugene A.;
7:2:10:21 Magnetodielectric effect and phonon properties of compressively strained EuTiO3 thin films deposited on (001)(LaAlO3)(0.29)-(SrAl1/2Ta1/2O3)(0.71)
DOI:10.1103/PhysRevB.85.094435 JN:PHYSICAL REVIEW B PY:2012 TC:7 AU: Kamba, S.;Goian, V.;Orlita, M.;Nuzhnyy, D.;Lee, J. H.;Schlom, D. G.;Rushchanskii, K. Z.;Lezaic, M.;Birol, T.;Fennie, C. J.;Gemeiner, P.;Dkhil, B.;Bovtun, V.;Kempa, M.;Hlinka, J.;Petzelt, J.;
7:2:10:22 Electronic structure and thermoelectric properties of nanostructured EuTi1-xNbxO3-delta (x=0.00; 0.02)
DOI:10.1063/1.4737872 JN:APPLIED PHYSICS LETTERS PY:2012 TC:9 AU: Sagarna, L.;Shkabko, A.;Populoh, S.;Karvonen, L.;Weidenkaff, A.;
7:2:10:23 Structure and thermoelectric properties of EuTi(O,N)(3 +/-delta)
DOI:10.1063/1.4813098 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Sagarna, L.;Rushchanskii, K. Z.;Maegli, A.;Yoon, S.;Populoh, S.;Shkabko, A.;Pokrant, S.;Lezaic, M.;Waser, R.;Weidenkaff, A.;
7:2:10:24 Lattice dynamical analogies and differences between SrTiO3 and EuTiO3 revealed by phonon-dispersion relations and double-well potentials
DOI:10.1103/PhysRevB.84.184114 JN:PHYSICAL REVIEW B PY:2011 TC:18 AU: Bettis, Jerry L.;Whangbo, Myung-Hwan;Koehler, Juergen;Bussmann-Holder, Annette;Bishop, A. R.;
7:2:10:25 Evidence for the first-order nature of the structural instability in EuTiO3 from thermal expansion measurements
DOI:10.1103/PhysRevB.90.104105 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Reuvekamp, Patrick G.;Kremer, Reinhard K.;Koehler, Juergen;Bussmann-Holder, Annette;
7:2:10:26 Tuning the structural instability of SrTiO3 by Eu doping: The phase diagram of Sr1-xEuxTiO3
DOI:10.1103/PhysRevB.85.134113 JN:PHYSICAL REVIEW B PY:2012 TC:15 AU: Guguchia, Zurab;Shengelaya, Alexander;Keller, Hugo;Koehler, Juergen;Bussmann-Holder, Annette;
7:2:10:27 Spin-lattice coupling induced weak dynamical magnetism in EuTiO3 at high temperatures
DOI:10.1103/PhysRevB.90.064413 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Guguchia, Z.;Keller, H.;Kremer, R. K.;Koehler, J.;Luetkens, H.;Goko, T.;Amato, A.;Bussmann-Holder, A.;
7:2:10:28 Ferromagnetic behavior in mixed valence europium (Eu2+/Eu3+) oxide EuTi1-xMxO3 (M = Al3+ and Ga3+)
DOI:10.1063/1.4826942 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Akahoshi, Daisuke;Horie, Hiroki;Sakai, Shingo;Saito, Toshiaki;
7:2:10:29 Evidence of Eu2+ 4f electrons in the valence band spectra of EuTiO3 and EuZrO3
DOI:10.1063/1.4761933 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Kolodiazhnyi, T.;Valant, M.;Williams, J. R.;Bugnet, M.;Botton, G. A.;Ohashi, N.;Sakka, Y.;
7:2:10:30 Magnetic inhomogeneity in a multiferroic EuTiO3 thin film
DOI:10.1103/PhysRevB.87.121109 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Geng, Yanan;Lee, J. H.;Schlom, D. G.;Freeland, J. W.;Wu, Weida;
7:2:10:31 Tuning cationic composition of La: EuTiO3-delta films
DOI:10.1063/1.4831856 JN:APL MATERIALS PY:2013 TC:0 AU: Shkabko, Andrey;Xu, Chencheng;Meuffels, Paul;Gunkel, Felix;Dittmann, Regina;Weidenkaff, Anke;Waser, Rainer;
7:2:10:32 Hyper-sensitive piezophotovoltaic effects in ferroelectric nanocylinders
DOI:10.1063/1.3428477 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:8 AU: Zheng, Yue;Woo, C. H.;
7:2:10:33 Analytical prediction of size-induced ferroelectricity in BaO nanowires under stress
DOI:10.1103/PhysRevB.81.092101 JN:PHYSICAL REVIEW B PY:2010 TC:13 AU: Morozovska, Anna N.;Eliseev, E. A.;Glinchuk, Maya D.;Blinc, Robert;
7:2:10:34 Phenomenological thermodynamic potential for CaTiO3 single crystals
DOI:10.1103/PhysRevB.85.064117 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Gu, Yijia;Rabe, Karin;Bousquet, Eric;Gopalan, Venkatraman;Chen, Long-Qing;
7:2:10:35 Spin-lattice coupling induced crossover from negative to positive magnetostriction in EuTiO3
DOI:10.1103/PhysRevB.90.094420 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Reuvekamp, P. G.;Kremer, R. K.;Koehler, J.;Bussmann-Holder, A.;
7:2:10:36 Spin Resonance in EuTiO3 Probed by Time-Domain Gigahertz Ellipsometry
DOI:10.1103/PhysRevLett.106.217601 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:11 AU: van Mechelen, J. L. M.;van der Marel, D.;Crassee, I.;Kolodiazhnyi, T.;
7:2:10:37 Growth and Characterization of EuTiO3 Single Crystals
DOI:10.1080/00150193.2012.741930 JN:FERROELECTRICS PY:2012 TC:3 AU: Ellis, D. S.;Uchiyama, H.;Sugimoto, K.;Kato, K.;Baron, A. Q. R.;
7:2:10:38 Phonon softening and dispersion in EuTiO3
DOI:10.1103/PhysRevB.86.220301 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;
7:2:10:39 Cr-doping induced ferromagnetic behavior in antiferromagnetic EuTiO3 nanoparticles
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7:2:10:40 The interaction of multifold polar orderings in Ba-doped Sr0.7Ca0.3TiO3
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7:2:10:41 Probing Local and Global Ferroelectric Phase Stability and Polarization Switching in Ordered Macroporous PZT
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7:2:10:42 Research Update: Magnetic phase diagram of EuTi1-xBxO3 (B = Zr, Nb)
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7:2:10:43 Preparation, magnetic characterization, and optical band gap of EuTiO3 nanoparticles
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7:2:10:44 Processing of phase pure and dense bulk EuTiO3 ceramics and their infrared reflectivity spectra
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7:2:10:45 Full compensation of oxygen vacancies in EuTiO3 (001) epitaxial thin film stabilized by a SrTiO3 surface protection layer
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7:2:10:46 An electrode-free method of characterizing the microwave dielectric properties of high-permittivity thin films
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7:2:10:47 Theory of quantum paraelectrics and the metaelectric transition
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7:2:10:48 Antiferrodistortive Structural Phase Transition in Compressively-Strained Epitaxial SrTiO3 Film Grown on (La, Sr)(Al, Ta)O-3 Substrate
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7:2:10:49 Phase transition and thermal expansion of the LaAlO3 single crystal at high temperatures
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7:2:10:50 The interaction of multifold polar orderings in Ba-doped Sr0.7Ca0.3TiO3 (vol 47, pg 1316, 2012)
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7:2:10:51 A multiferroic material to search for the permanent electric dipole moment of the electron
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7:2:11:1 Giant Flexoelectric Effect in Ferroelectric Epitaxial Thin Films
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7:2:11:2 Nanoscale Flexoelectricity
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7:2:11:3 Fundamentals of flexoelectricity in solids
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7:2:11:4 Finite-temperature flexoelectricity in ferroelectric thin films from first principles
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7:2:11:5 Flexoelectric nano-generator: Materials, structures and devices
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7:2:11:6 Piezoelectric thin-film superlattices without using piezoelectric materials
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7:2:11:7 Towards a Bulk Theory of Flexoelectricity
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7:2:11:8 First-principles theory of frozen-ion flexoelectricity
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7:2:11:9 First-principles theory and calculation of flexoelectricity
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7:2:11:10 Flexoelectric Control of Defect Formation in Ferroelectric Epitaxial Thin Films
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7:2:11:11 Relationship between direct and converse flexoelectric coefficients
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7:2:11:12 Flexoelectricity from density-functional perturbation theory
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7:2:11:13 Enhanced direct flexoelectricity in paraelectric phase of Ba(Ti0.87Sn0.13)O-3 ceramics
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7:2:11:14 Converse flexoelectric coefficient f(1212) in bulk Ba0.67Sr0.33TiO3
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7:2:11:15 Giant flexoelectricity in Ba0.6Sr0.4TiO3/Ni0.8Zn0.2Fe2O4 composite
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7:2:11:16 Study of defect-dipoles in an epitaxial ferroelectric thin film
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7:2:11:17 Influence of flexoelectric effects on multiferroic nanocomposite thin bilayer films
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7:2:11:18 Size effects on electromechanical coupling fields of a bending piezoelectric nanoplate due to surface effects and flexoelectricity
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7:2:11:19 Symmetry of flexoelectric coefficients in crystalline medium
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7:2:11:20 Computational evaluation of the flexoelectric effect in dielectric solids
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7:2:11:21 Flexoelectric effect on the electroelastic responses and vibrational behaviors of a piezoelectric nanoplate
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7:2:11:22 Flexoelectric Effect in the Reversal of Self-Polarization and Associated Changes in the Electronic Functional Properties of BiFeO3 Thin Films
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7:2:11:23 Experimental studies on the direct flexoelectric effect in alpha-phase polyvinylidene fluoride films
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7:2:11:24 Flexoelectric effect on the electroelastic responses of bending piezoelectric nanobeams
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7:2:11:25 An ab initio investigation of flexoelectric effect in ultrathin BaTiO3 nanotubes
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7:2:11:26 Interesting Evidence for Template-Induced Ferroelectric Behavior in Ultra-Thin Titanium Dioxide Films Grown on (110) Neodymium Gallium Oxide Substrates
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7:2:11:27 Flexoelectricity in several thermoplastic and thermosetting polymers
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7:2:11:28 Origin of the vanishing critical thickness for ferroelectricity in free-standing PbTiO3 ultrathin films from first principles
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7:2:11:29 Flexoelectric Rectification of Charge Transport in Strain-Graded Dielectrics
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7:2:11:30 Strain-gradient-induced switching of nanoscale domains in free-standing ultrathin films
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7:2:11:31 Active Control of Ferroelectric Switching Using Defect-Dipole Engineering
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7:2:11:32 Coaxing graphene to be piezoelectric
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7:2:11:33 Enhanced flexoelectric effect in a non-ferroelectric composite
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7:2:11:34 Flexoelectricity in barium strontium titanate thin film
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7:2:11:35 Flexoelectric effect in finite samples
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7:2:11:36 Strain gradient induced electric polarization in alpha-phase polyvinylidene fluoride films under bending conditions
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7:2:11:37 Giant Flexoelectric Polarization in a Micromachined Ferroelectric Diaphragm
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7:2:11:38 Quasi-Amorphous Inorganic Thin Films: Non-Crystalline Polar Phases
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7:2:11:39 Piezoelectricity and local structural distortions in (Na0.5Bi0.5)(1-x)SrxTiO3-Bi12TiO20 flexoelectric-type polar ceramics
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7:2:11:40 Strain induced low mechanical switching force in ultrathin PbZr0.2Ti0.8O3 films
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7:2:11:41 Surface effects on the wrinkling of piezoelectric films on compliant substrates
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7:2:11:42 Temperature dependence of flexoelectric response in ferroelectric and relaxor polymer thin films
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7:2:11:43 Measurement of the flexoelectric response in ferroelectric and relaxor polymer thin films
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7:2:11:44 Origin of the enhanced flexoelectricity of relaxor ferroelectrics
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7:2:11:45 Effect of composition on the structure and piezoelectricity of Na0.5Bi4.5Ti4O15-based flexoelectric-type polar ceramics
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7:2:11:46 Fabrication and measurement of a flexoelectric micro-pyramid composite
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7:2:11:47 Elucidating the mechanism for indentation size-effect in dielectrics
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7:2:11:48 Piezoelectricity above the Curie temperature? Combining flexoelectricity and functional grading to enable high-temperature electromechanical coupling
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7:2:11:49 Amorphous phases and piezoelectricity in (Na0.5Bi0.5)(0.94)Ba0.06TiO3-Bi12TiO20 flexoelectric-type nanocomposite ceramics
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7:2:11:50 Flexoelectric strain gradient detection using Ba0.64Sr0.36TiO3 for sensing
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7:2:11:51 Upper bounds for flexoelectric coefficients in ferroelectrics
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7:2:11:53 Structural Determinants of the Sign of the Pyroelectric Effect in Quasi-Amorphous SrTiO3 Films
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7:2:11:54 Detection of a piezoelectric effect in thin films of thermally grown SiO2 via lock-in ellipsometry
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7:2:11:55 Wet Chemical Etching Process of BST Thin Films for Pyroelectric Infrared Detectors
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7:2:11:56 Converse piezoelectric responses in nonpiezoelectric materials implemented via asymmetric configurations of electrodes
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7:2:11:58 On the theory of the universal dielectric relaxation
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7:2:12:1 Hybrid Improper Ferroelectricity: A Mechanism for Controllable Polarization-Magnetization Coupling
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7:2:12:2 Octahedral Rotation-Induced Ferroelectricity in Cation Ordered Perovskites
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7:2:12:3 Turning ABO(3) Antiferroelectrics into Ferroelectrics: Design Rules for Practical Rotation-Driven Ferroelectricity in Double Perovskites and A(3)B(2)O(7) Ruddlesden-Popper Compounds
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7:2:12:7 Ab initio study of proper topological ferroelectricity in layered perovskite La2Ti2O7
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7:2:12:8 MULTIFERROICS Coupling of three lattice instabilities
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7:2:12:9 Octahedral tilting-induced ferroelectricity in ASnO(3)/A ' SnO3 superlattices (A, A '=Ca, Sr, and Ba)
DOI:10.1103/PhysRevB.88.014101 JN:PHYSICAL REVIEW B PY:2013 TC:6 AU: Sim, Hyunsu;Cheong, S. W.;Kim, Bog G.;
7:2:12:10 Electric control of the magnetization in BiFeO3/LaFeO3 superlattices
DOI:10.1103/PhysRevB.88.060102 JN:PHYSICAL REVIEW B PY:2013 TC:8 AU: Zanolli, Zeila;Wojdel, Jacek C.;Iniguez, Jorge;Ghosez, Philippe;
7:2:12:11 Universal collaborative couplings between oxygen-octahedral rotations and antiferroelectric distortions in perovskites
DOI:10.1103/PhysRevB.88.014104 JN:PHYSICAL REVIEW B PY:2013 TC:11 AU: Bellaiche, L.;Iniguez, Jorge;
7:2:12:12 Atomic Scale Design of Polar Perovskite Oxides without Second-Order Jahn-Teller Ions
DOI:10.1021/cm402550q JN:CHEMISTRY OF MATERIALS PY:2013 TC:13 AU: Young, Joshua;Rondinelli, James M.;
7:2:12:13 Mechanical Tunability via Hydrogen Bonding in Metal-Organic Frameworks with the Perovskite Architecture
DOI:10.1021/ja500618z JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2014 TC:6 AU: Li, Wei;Thirumurugan, A.;Barton, Phillip T.;Lin, Zheshuai;Henke, Sebastian;Yeung, Hamish H. -M.;Wharmby, Michael T.;Bithell, Erica G.;Howard, Christopher J.;Cheetham, Anthony K.;
7:2:12:14 Electrical properties of improper ferroelectrics from first principles
DOI:10.1103/PhysRevB.86.094112 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Stengel, Massimiliano;Fennie, Craig J.;Ghosez, Philippe;
7:2:12:15 Electrically driven octahedral rotations in SrTiO3 and PbTiO3
DOI:10.1103/PhysRevB.87.064104 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Hong, Jiawang;Vanderbilt, David;
7:2:12:16 Electronic structure and biaxial strain in RbHgF3 perovskite and hybrid improper ferroelectricity in (Na,Rb)Hg2F6 and (K,Rb)Hg2F6 superlattices
DOI:10.1103/PhysRevB.90.115121 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Pilania, Ghanshyam;Lookman, Turab;
7:2:12:17 Polarization enhancement in perovskite superlattices by oxygen octahedral tilts
DOI:10.1016/j.commatsci.2014.05.003 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2014 TC:3 AU: Lu, X. Z.;Gong, X. G.;Xiang, H. J.;
7:2:12:18 Interface Control of Emergent Ferroic Order in Ruddlesden-Popper Srn+1TinO3n+1
DOI:10.1103/PhysRevLett.107.257602 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:17 AU: Birol, Turan;Benedek, Nicole A.;Fennie, Craig J.;
7:2:12:19 First-principles study of structural and vibrational properties of SrZrO3
DOI:10.1103/PhysRevB.85.064112 JN:PHYSICAL REVIEW B PY:2012 TC:9 AU: Amisi, Safari;Bousquet, Eric;Katcho, Karume;Ghosez, Philippe;
7:2:12:20 Improper ferroelectricity and piezoelectric responses in rhombohedral (A, A') B2O6 perovskite oxides
DOI:10.1103/PhysRevB.89.174110 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Young, Joshua;Rondinelli, James M.;
7:2:12:21 Atomistic theory of hybrid improper ferroelectricity in perovskites
DOI:10.1103/PhysRevB.89.174101 JN:PHYSICAL REVIEW B PY:2014 TC:2 AU: Zhao, Hong Jian;Iniguez, Jorge;Ren, Wei;Chen, Xiang Ming;Bellaiche, L.;
7:2:12:22 Inversion Symmetry Breaking by Oxygen Octahedral Rotations in the Ruddlesden-Popper NaRTiO4 Family
DOI:10.1103/PhysRevLett.112.187602 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Akamatsu, Hirofumi;Fujita, Koji;Kuge, Toshihiro;Sen Gupta, Arnab;Togo, Atsushi;Lei, Shiming;Xue, Fei;Stone, Greg;Rondinelli, James M.;Chen, Long-Qing;Tanaka, Isao;Gopalan, Venkatraman;Tanaka, Katsuhisa;
7:2:12:23 Hyperferroelectrics: Proper Ferroelectrics with Persistent Polarization
DOI:10.1103/PhysRevLett.112.127601 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:1 AU: Garrity, Kevin F.;Rabe, Karin M.;Vanderbilt, David;
7:2:12:24 Dynamic layer rearrangement during growth of layered oxide films by molecular beam epitaxy
DOI:10.1038/NMAT4039 JN:NATURE MATERIALS PY:2014 TC:15 AU: Lee, J. H.;Luo, G.;Tung, I. C.;Chang, S. H.;Luo, Z.;Malshe, M.;Gadre, M.;Bhattacharya, A.;Nakhmanson, S. M.;Eastman, J. A.;Hong, H.;Jellinek, J.;Morgan, D.;Fong, D. D.;Freeland, J. W.;
7:2:12:25 Octahedral tilting and ferroelectricity in RbANb(2)O(7) (A = Bi, Nd) from first principles
DOI:10.1103/PhysRevB.89.144114 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Sim, Hyunsu;Kim, Bog G.;
7:2:12:26 Ferroelasticity in a metal-organic framework perovskite; towards a new class of multiferroics
DOI:10.1016/j.actamat.2013.04.054 JN:ACTA MATERIALIA PY:2013 TC:17 AU: Li, Wei;Zhang, Zhiying;Bithell, Erica G.;Batsanov, Andrei S.;Barton, Phillip T.;Saines, Paul J.;Jain, Prashant;Howard, Christopher J.;Carpenter, Michael A.;Cheetham, Anthony K.;
7:2:12:27 The Role of Trilinear Couplings in the Phase Transitions of Aurivillius Compounds
DOI:10.1080/00150191003670325 JN:FERROELECTRICS PY:2010 TC:18 AU: Etxebarria, I.;Perez-Mato, J. M.;Boullay, P.;
7:2:12:28 Elastic relaxation behavior, magnetoelastic coupling, and order-disorder processes in multiferroic metal-organic frameworks
DOI:10.1103/PhysRevB.86.214304 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;
7:2:12:29 Symmetry analysis for the Ruddlesden-Popper systems Ca3Mn2O7 and Ca3Ti2O7
DOI:10.1103/PhysRevB.84.064116 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Harris, A. B.;
7:2:12:30 Coupling between octahedral rotations and local polar displacements in WO3/ReO3 superlattices
DOI:10.1103/PhysRevB.89.195304 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Schick, Joseph T.;Jiang, Lai;Saldana-Greco, Diomedes;Rappe, Andrew M.;
7:2:12:31 Ab initio study of the structural phase transitions of the double perovskites Sr2MWO6 (M=Zn, Ca, Mg)
DOI:10.1103/PhysRevB.89.064107 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Petralanda, U.;Etxebarria, I.;
7:2:12:32 RbBiNb2O7: A New Lead-Free High-T-c Ferroelectric
DOI:10.1021/cm3013039 JN:CHEMISTRY OF MATERIALS PY:2012 TC:11 AU: Li, Bao-Wen;Osada, Minoru;Ozawa, Tadashi C.;Sasaki, Takayoshi;
7:2:12:33 Geometric ferroelectricity in fluoroperovskites
DOI:10.1103/PhysRevB.89.104107 JN:PHYSICAL REVIEW B PY:2014 TC:3 AU: Garcia-Castro, A. C.;Spaldin, Nicola A.;Romero, A. H.;Bousquet, E.;
7:2:12:34 Strain Accommodation by Facile WO6 Octahedral Distortion and Tilting during WO3 Heteroepitaxy on SrTiO3(001)
DOI:10.1021/am5035686 JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:2 AU: Du, Yingge;Gu, Meng;Varga, Tamas;Wang, Chongmin;Bowden, Mark E.;Chambers, Scott A.;
7:2:12:35 Ferromagnetism and Orbital Order in a Topological Ferroelectric
DOI:10.1103/PhysRevLett.109.217202 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:6 AU: Scarrozza, Marco;Filippetti, Alessio;Fiorentini, Vincenzo;
7:2:12:36 First-principles study of the ferroelectric Aurivillius phase Bi2WO6
DOI:10.1103/PhysRevB.86.054107 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Djani, Hania;Bousquet, Eric;Kellou, Abdelhafid;Ghosez, Philippe;
7:2:12:37 Electrically induced decrease of magnetization in Ca3Mn2O7
DOI:10.1063/1.4767139 JN:APPLIED PHYSICS LETTERS PY:2012 TC:2 AU: Zhu, Wenka;Pi, Li;Huang, Yuanjie;Tan, Shun;Zhang, Yuheng;
7:2:12:38 Short-Range Layered A-Site Ordering in Double Perovskites NaLaBB ' O-6 (B = Mn, Fe; B ' = Nb, Ta)
DOI:10.1021/cm200226u JN:CHEMISTRY OF MATERIALS PY:2011 TC:7 AU: Dachraoui, Walid;Yang, Tao;Liu, Chang;King, Graham;Hadermann, Joke;Van Tendeloo, Gustaaf;Llobet, Anna;Greenblatt, Martha;
7:2:12:39 Physical constraint and its consequence for hyperferroelectrics
DOI:10.1063/1.4900480 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Fu, Huaxiang;
7:2:12:40 Landau theory of tilting of oxygen octahedra in perovskites
DOI:10.1103/PhysRevB.85.174107 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Harris, A. B.;
7:2:12:41 Evolution of crystal structures in metallic elements
DOI:10.1103/PhysRevB.87.184104 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Togo, Atsushi;Tanaka, Isao;
7:2:12:42 First principles study of structural, electronic and magnetic properties of Bi doped in hexagonal SrMnO3
DOI:10.1016/j.commatsci.2012.05.055 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2012 TC:1 AU: Luo, Benhua;Wang, Xueye;Jiao, Peng;
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7:2:13:58 Synthesis of Nano-BiFeO3 by Low-heating Temperature Solid State Precursor Method: Using Different Types of Alkali
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7:2:14:13 Modeling functional piezoelectricity in perovskite superlattices with competing instabilities
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7:2:14:14 Quantification of Internal Electric Fields and Local Polarization in Ferroelectric Superlattices
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7:2:14:15 Phase transitions in ferroelectric-paraelectric superlattices
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7:2:14:16 Phase transitions in ferroelectric-paraelectric superlattices: Stability of single domain state
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7:2:14:17 Direct determination of the effect of strain on domain morphology in ferroelectric superlattices with scanning probe microscopy
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7:2:14:18 Field-Dependent Domain Distortion and Interlayer Polarization Distribution in PbTiO3/SrTiO3 Superlattices
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7:2:14:19 Enhancing permittivity of ferroelectric superlattices via composition tuning
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7:2:14:20 Ab initio design of charge-mismatched ferroelectric superlattices
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7:2:14:21 Layer thickness and period as design parameters to tailor pyroelectric properties in ferroelectric superlattices
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7:2:14:22 Ferroelectric Domains in PbTiO3/SrTiO3 Superlattices
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7:2:14:23 Piezoelectricity in the Dielectric Component of Nanoscale Dielectric-Ferroelectric Superlattices
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7:2:14:24 Mapping the energy surface of PbTiO3 in multidimensional electric-displacement space
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7:2:14:25 Enhanced piezoelectric response in the artificial ferroelectric polymer multilayers
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7:2:14:26 Upshift of Phase Transition Temperature in Nanostructured PbTiO3 Thick Film for High Temperature Applications
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7:2:14:27 Influence of interface intermixing and periodicity on internal electric field and polarization in ferroelectric superlattices
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7:2:14:28 A dipole lattice model of switching characteristics in ferroelectric superlattices
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7:2:14:29 Tuning of the Depolarization Field and Nanodomain Structure in Ferroelectric Thin Films
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7:2:14:30 Component-specific electromechanical response in a ferroelectric/dielectric superlattice
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7:2:14:31 Thickness scaling of ferroelastic domains in PbTiO3 films on DyScO3
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7:2:14:32 Atomic scale investigation of a PbTiO3/SrRuO3/DyScO3 heterostructure
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7:2:14:33 Electron energy loss spectroscopy investigation of Pb and Ti hybridization with O at the PbTiO3/SrTiO3 interface
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7:2:14:34 Nano-domain engineering in ultrashort-period ferroelectric superlattices
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7:2:14:35 Minimum tetragonality in PbTiO3/BaTiO3 ferroelectric superlattices
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7:2:14:36 Tuning the Built-in Electric Field in Ferroelectric Pb(Zr0.2Ti0.8)O-3 Films for Long-Term Stability of Single-Digit Nanometer Inverted Domains
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7:2:14:37 Effects of anisotropic elasticity in the problem of domain formation and stability of monodomain state in ferroelectric films
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7:2:14:38 Enhanced dielectric and ferroelectric properties in the artificial polymer multilayers
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7:2:14:39 Interfacial nanolayers and permittivity of ferroelectric superlattices
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7:2:14:40 Kinetics of nanodomain growth in ferroelectric artificial superlattices
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7:2:14:41 Modulated internal electric field, dielectric susceptibility and polarization in ferroelectric superlattices
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7:2:14:42 Temperature Stable Dielectric Behavior of Sol-Gel Derived Compositionally Graded SrTiO3/Na0.5Bi0.5TiO3/SrTiO3 Thin Films
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7:2:14:43 Frequency Dependence of the Dielectric Permittivity in Ferroelectric Thin Films with 180 degrees Domain Structure
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7:2:14:44 Strain effect in the problem of critical thickness for ferroelectric memory
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7:2:15:1 Magnetic Field-Induced Ferroelectric Switching in Multiferroic Aurivillius Phase Thin Films at Room Temperature
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7:2:15:2 Processing optimization and sintering time dependent magnetic and optical behaviors of Aurivillius Bi5Ti3FeO15 ceramics
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7:2:15:3 Ferroelectric transition of Aurivillius compounds Bi5Ti3FeO15 and Bi6Ti3Fe2O18
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7:2:15:4 The Cr-substitution concentration dependence of the structural, electric and magnetic behaviors for Aurivillius Bi5Ti3FeO15 multiferroic ceramics
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7:2:15:5 Cryogenic temperature relaxor-like dielectric responses and magnetodielectric coupling in Aurivillius Bi5Ti3FeO15 multiferroic thin films
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7:2:15:6 Electrical, magnetic, and optical properties in multiferroic Bi5Ti3FeO15 thin films prepared by a chemical solution deposition route
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7:2:15:7 Multiferroic properties of Aurivillius phase Bi6Fe2-xCoxTi3O18 thin films prepared by a chemical solution deposition route
DOI:10.1063/1.4752748 JN:APPLIED PHYSICS LETTERS PY:2012 TC:14 AU: Liu, Z.;Yang, J.;Tang, X. W.;Yin, L. H.;Zhu, X. B.;Dai, J. M.;Sun, Y. P.;
7:2:15:8 Dielectric responses and scaling behaviors in Aurivillius Bi6Ti3Fe2O18 multiferroic thin films
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7:2:15:9 Piezoresponse force microscopy investigations of Aurivillius phase thin films
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7:2:15:10 Structural, magnetic, and EPR studies of the Aurivillius phase Bi6Fe2Ti3O18 and Bi6FeCrTi3O18
DOI:10.1103/PhysRevB.86.104410 JN:PHYSICAL REVIEW B PY:2012 TC:9 AU: Yang, J.;Tong, W.;Liu, Z.;Zhu, X. B.;Dai, J. M.;Song, W. H.;Yang, Z. R.;Sun, Y. P.;
7:2:15:11 Magnetic and dielectric properties of Aurivillius phase Bi6Fe2Ti3O18 and the doped compounds
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7:2:15:12 Effects of La- and V-doping on structural, electrical and multiferroic properties of Bi6Fe2Ti3O18 thin films
DOI:10.1016/j.ceramint.2014.03.049 JN:CERAMICS INTERNATIONAL PY:2014 TC:4 AU: Raghavan, Chinnambedu Murugesan;Kim, Jin Won;Kim, Jong-Woo;Kim, Sang Su;
7:2:15:13 Ferroelectric and ferromagnetic properties of Bi7-xLaxFe1.5Co1.5Ti3O21 ceramics prepared by the hot-press method
DOI:10.1016/j.jallcom.2014.02.122 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:8 AU: Lei, Zhiwei;Huang, Yan;Liu, Min;Ge, Wen;Ling, Yihan;Peng, Ranran;Mao, Xiangyu;Chen, Xiaobing;Lu, Yalin;
7:2:15:14 Magnetic, dielectric, and magneto-dielectric properties of rare-earth-substituted Aurivillius phase Bi6Fe1.4Co0.6Ti3O18
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7:2:15:15 Thickness Dependence of Dielectric, Leakage, and Ferroelectric Properties of Bi6Fe2Ti3O18 Thin Films Derived by Chemical Solution Deposition
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7:2:15:16 Study of multiferroic properties in Bi5Fe0.5Co0.5Ti3O15 thin films
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7:2:15:17 Effects of annealing temperature on the structures, ferroelectric and magnetic properties of Aurivillius Bi5Ti3FeO15 polycrystalline films
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7:2:15:18 The structural and piezoresponse properties of c-axis-oriented Aurivillius phase Bi5Ti3FeO15 thin films deposited by atomic vapor deposition
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7:2:15:19 Ferromagnetic, ferroelectric properties, and magneto-dielectric effect of Bi4.25La0.75Fe0.5Co0.5Ti3O15 ceramics
DOI:10.1063/1.4793305 JN:APPLIED PHYSICS LETTERS PY:2013 TC:15 AU: Mao, Xiangyu;Sun, Hui;Wang, Wei;Chen, Xiaobing;Lu, Yalin;
7:2:15:20 Room temperature electromechanical and magnetic investigations of ferroelectric Aurivillius phase Bi5Ti3(FexMn1-x)O-15 (x=1 and 0.7) chemical solution deposited thin films
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7:2:15:21 Spin-phonon interactions of multiferroic Bi4Ti3O12-BiFeO3 ceramics: Low-temperature Raman scattering and infrared reflectance spectra investigations
DOI:10.1063/1.4870054 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Jiang, P. P.;Zhang, X. L.;Chang, P.;Hu, Z. G.;Bai, W.;Li, Y. W.;Chu, J. H.;
7:2:15:22 Investigations on electrical, magnetic and optical behaviors of five-layered Aurivillius Bi6Ti3Fe2O18 polycrystalline films
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7:2:15:23 Band gap tuning in ferroelectric Bi4Ti3O12 by alloying with LaTMO3 (TM = Ti, V, Cr, Mn, Co, Ni, and Al)
DOI:10.1063/1.3697645 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Choi, Woo Seok;Lee, Ho Nyung;
7:2:15:24 Room temperature ferroelectric and magnetic investigations and detailed phase analysis of Aurivillius phase Bi5Ti3Fe0.7Co0.3O15 thin films
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7:2:15:25 Phase transformation in multiferroic Bi5Ti3FeO15 ceramics by temperature-dependent ellipsometric and Raman spectra: An interband electronic transition evidence
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7:2:15:26 Structural, magnetic and dielectric properties of Bi5-xLaxTi3Co0.5Fe0.5O15 ceramics
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7:2:15:27 Significant ferrimagnetism observed in Aurivillius Bi4Ti3O12 doped by antiferromagnetic LaFeO3
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7:2:15:28 Large magnetic response in (Bi4Nd)Ti-3(Fe0.5Co0.5)O-15 ceramic at room-temperature
DOI:10.1063/1.3671418 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:11 AU: Yang, F. J.;Su, P.;Wei, C.;Chen, X. Q.;Yang, C. P.;Cao, W. Q.;
7:2:15:29 Magnetic and optical properties of the Aurivillius phase Bi5Ti3FeO15
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7:2:15:30 Magnetic and dielectric properties of Aurivillius phase Bi6Fe2Ti3-2xNbxCoxO18 (0 <= x <= 0.4)
DOI:10.1063/1.4865422 JN:APPLIED PHYSICS LETTERS PY:2014 TC:6 AU: Yuan, B.;Yang, J.;Chen, J.;Zuo, X. Z.;Yin, L. H.;Tang, X. W.;Zhu, X. B.;Dai, J. M.;Song, W. H.;Sun, Y. P.;
7:2:15:31 Room temperature multiferroic properties of Ni-doped Aurivillus phase Bi5Ti3FeO15
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7:2:15:32 Inhomogeneous Structure and Magnetic Properties of Aurivillius Ceramics Bi4Bin-3Ti3Fen-3O3n+3
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7:2:15:33 Structural and ferroelectric properties of epitaxial Bi5Ti3FeO15 and natural-superlattice-structured Bi4Ti3O12-Bi5Ti3FeO15 thin films
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7:2:15:34 Observation of a new cryogenic temperature dielectric relaxation in multiferroic Bi7Fe3Ti3O21
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7:2:15:35 Structural changes in the homologous series of the Aurivillius phases Bin+1Fen-3Ti3O3n+3
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7:2:15:36 Structural, electrical and magnetic characterisation of a new Aurivillius phase Bi5-xThxFe1+xTi3-xO15 (x=1/3)
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7:2:15:37 Crystallographic and magnetic identification of secondary phase in orientated Bi5Fe0.5Co0.5Ti3O15 ceramics
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7:2:15:38 Antiferromagnetic spin glass-like behavior in sintered multiferroic Aurivillius Bim+1Ti3Fem-3O3m+3 compounds
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7:2:15:39 Room temperature magnetoelectric coupling study in multiferroic Bi4NdTi3Fe0.7Ni0.3O15 prepared by a multicalcination procedure
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7:2:15:40 Optical, ferroelectric, and piezoresponse force microscopy studies of pulsed laser deposited Aurivillius Bi5FeTi3O15 thin films
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7:2:15:41 Hyperfine interactions in some Aurivillius Bim+1Ti3Fem-3O3m+3 compounds
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7:2:15:42 Structural stability of layered n-LaFeO3-Bi4Ti3O12, BiFeO3-Bi4Ti3O12, and SrTiO3-Bi4Ti3O12 thin films
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7:2:15:43 Influence of different synthesizing steps on the multiferroic properties of Bi5Fe1Ti3O15 and Bi5Fe0.5Co0.5Ti3O15 ceramics
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7:2:15:44 Multiferroic properties of Co and Nd co-substituted Bi5Ti3FeO15 thin films
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7:2:15:45 Structure and Multiferroic Properties of V-doped Bi6Fe2Ti3O18 Thin Films Prepared by Chemical Solution Deposition
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7:2:15:46 Transport and magnetic properties of Fe doped CaMnO3
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7:2:15:47 Structure and hyperfine interactions of Bi9Ti3Fe5O27 multiferroic ceramic prepared by sintering and mechanical alloying methods
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7:2:15:48 Structural transformation and magnetic properties of CaMn1-xFexO3-delta (0.0 <= x <= 0.5)
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7:2:15:49 Effect of synthesis conditions on the morphology and crystal structure of biferroic Bi5Ti3FeO15
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7:2:16:1 Conduction of Topologically Protected Charged Ferroelectric Domain Walls
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7:2:16:2 Electrostatic topology of ferroelectric domains in YMnO3
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7:2:16:3 High-temperature phase transitions of hexagonal YMnO3
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7:2:16:4 Observation of persistent centrosymmetricity in the hexagonal manganite family
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7:2:16:5 Imaging and characterization of conducting ferroelectric domain walls by photoemission electron microscopy
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7:2:16:6 Direct Observation of the Proliferation of Ferroelectric Loop Domains and Vortex-Antivortex Pairs
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7:2:16:7 Resistive switching in polycrystalline YMnO3 thin films
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7:2:16:8 Ferroelectric Switching Dynamics of Topological Vortex Domains in a Hexagonal Manganite
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7:2:16:9 Collective Magnetism at Multiferroic Vortex Domain Walls
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7:2:16:10 Topology breaking of the vortex in multiferroic Y0.67Lu0.33MnO3
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7:2:16:11 Atomic-scale study of topological vortex-like domain pattern in multiferroic hexagonal manganites
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7:2:16:12 Direct observation of interlocked domain walls in hexagonal RMnO3 (R = Tm, Lu)
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7:2:16:13 Piezoresponse force microscopy of domains and walls in multiferroic HoMnO3
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7:2:16:14 Multivariate Statistical Characterization of Charged and Uncharged Domain Walls in Multiferroic Hexagonal YMnO3 Single Crystal Visualized by a Spherical Aberration-Corrected STEM
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7:2:16:15 Spectroscopic signatures of domain walls in hexagonal ErMnO3
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7:2:16:16 Bulk conduction and nonlinear behaviour in multiferroic YMnO3
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7:2:16:17 Evolution of the Domain Topology in a Ferroelectric
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7:2:16:18 Hidden order in hexagonal RMnO3 multiferroics (R = Dy-Lu, In, Y, and Sc)
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7:2:16:19 Contribution to Pyroelectricity from Domain Walls and Substrate Strain
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7:2:16:20 Polarization Structures of Topological Domains in Multiferroic Hexagonal Manganites
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7:2:16:21 MULTIFERROICS A whirlwind of opportunities
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7:2:16:22 Scanning secondary-electron microscopy on ferroelectric domains and domain walls in YMnO3
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7:2:16:23 Unfolding of Vortices into Topological Stripes in a Multiferroic Material
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7:2:16:24 Landau theory of topological defects in multiferroic hexagonal manganites
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7:2:16:25 Combinatorial model for the ferroelectric domain-network formation in hexagonal manganites
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7:2:16:26 Complex structural-ferroelectric domain walls in thin films of hexagonal orthoferrites RFeO3 (R=Lu, Er)
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7:2:16:27 Structural coherence and ferroelectric order in nanosized multiferroic YMnO3
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7:2:16:28 Iso-structural phase transition in YMnO3 nanosized particles
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7:2:16:29 Delicate balance between ferroelectricity and antiferroelectricity in hexagonal InMnO3
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7:2:16:30 Ferroelectric annular domains in hexagonal manganites
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7:2:16:31 Manipulation of ferroelectric vortex domains in hexagonal manganites
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7:2:16:32 Direct visualization of magnetoelectric domains
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7:2:16:33 Symmetry-mode analysis of the ferroelectric transition in YMnO3
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7:2:16:34 High temperature dielectric properties of YMnO3 ceramics
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7:2:16:35 Growth of high-quality hexagonal ErMnO3 single crystals by the pressurized floating-zone method
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7:2:16:36 Giant Magnetic Fluctuations at the Critical Endpoint in Insulating HoMnO3
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7:2:16:37 Origin of microcracking in YMnO3 ceramics
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7:2:16:38 Significant ferrimagnetisms observed in superlattice composed of antiferromagnetic LaFeO3 and YMnO3
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7:2:16:39 Effects of electron irradiation on the ferroelectric 180 degrees in-plane nanostripe domain structure in a thin film prepared from a bulk single crystal of BaTiO3 by focused ion beam
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7:2:16:40 Reduction of microcracking in YMnO3 ceramics by Ti substitution
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7:2:16:41 Stability of spontaneous polarization in ultrathin improper ferroelectrics
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7:2:16:42 Multiple Stable States with In-Plane Anisotropy in Ultrathin YMnO3 Films
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7:2:16:43 Ferroelectric and Structural Antiphase Domain and Domain Wall Structures in Y(Mn,Ti)O-3
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7:2:16:44 Color Theorems, Chiral Domain Topology, and Magnetic Properties of FexTaS2
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7:2:16:45 New ferroelectric: Bis-thiourea pyridinium bromide inclusion compound
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7:2:16:46 Antiferromagnetic ordering in RMnO3 rare-earth manganites observed by optical spectroscopy
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7:2:17:1 Stability of the various crystallographic phases of the multiferroic (1-x)BiFeO3-xPbTiO(3) system as a function of composition and temperature
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7:2:17:2 Mechanosynthesis of the whole xBiFeO(3)-(1-x)PbTiO3 multiferroic system: structural characterization and study of phase transitions
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7:2:17:3 Temperature-induced isostructural phase transition, associated large negative volume expansion, and the existence of a critical point in the phase diagram of the multiferroic (1-x)BiFeO3-xPbTiO(3) solid solution system
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7:2:17:4 Evidence for (Bi,Pb)-O Covalency in the High T-C Ferroelectric PbTiO3-BiFeO3 with Large Tetragonality
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7:2:17:5 Synthesis and multiferroism in mechanically processed BiFeO3-PbTiO3 ceramics
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7:2:17:6 Nanostructured BiMnO3+delta obtained at ambient pressure: analysis of its multiferroicity
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7:2:17:7 Very high remnant polarization and phase-change electromechanical response of BiFeO3-PbTiO3 at the multiferroic morphotropic phase boundary
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7:2:17:8 High-resolution structural studies and covalent bond interactions in BiFeO3-PbTiO3 compounds: The role of ferroism
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7:2:17:9 Heterophase states and domain effects in solid solutions of (1 - x)BiFeO3 - xPbTiO(3)
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7:2:17:10 Mechanosynthesis of the Orthorhombic Perovskites ErMn1-xNixO3 (x=0, 0.1). Processing and Characterization of Nanostructured Ceramics
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7:2:17:11 Piezoelectric Characterization of (0.6)BiFeO3-(0.4)PbTiO3 Multiferroic Ceramics
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7:2:17:12 Effect of stress induced monoclinic to tetragonal phase transformation in the multiferroic (1-x)BiFeO3-xPbTiO(3) system on the width of the morphotropic phase boundary and the tetragonality
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7:2:17:13 Intrinsic features of the magnetoeletric coupling mechanism in displacive multiferroics
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7:2:17:14 Simultaneous changes of nuclear and magnetic structures across the morphotropic phase boundary in (1-x)BiFeO3-xPbTiO(3)
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7:2:17:16 Magneto-structural study of the multiferroic BiFeo(3)-SrTiO3
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7:2:17:17 Unconventional mechanism of stabilization of a tetragonal phase in the perovskite ferroelectric (PbTiO3)(1-x)(BiFeO3)(x)
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7:2:17:18 Competing structural phase transition scenarios in the giant tetragonality ferroelectric BiFeO3-PbTiO3: Isostructural vs multiphase transition
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7:2:17:19 Effect of oxygen annealing on the multiferroic properties of Ca2+ doped BiFeO3 nanoceramics
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7:2:17:20 Tuning ferroic states in La doped BiFeO3-PbTiO3 displacive multiferroic compounds
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7:2:17:21 Multiferroism and enhancement of material properties across the morphotropic phase boundary of BiFeO3-PbTiO3
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7:2:17:22 Antiferromagnetic order in tetragonal bismuth ferrite-lead titanate
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7:2:17:23 Ferroic states in La doped BiFeO3-PbTiO3 multiferroic compounds
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7:2:17:24 Metastable morphotropic phase boundary state in the multiferroic BiFeO3-PbTiO3
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7:2:17:25 Reversible piezomagnetoelectric switching in bulk polycrystalline ceramics
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7:2:17:26 Morin-type spin-reorientation transition below the Neel transition in the monoclinic compositions of (1-x) BiFeO3-xPbTiO(3) (x=0.25 and 0.27): A combined dc magnetization and x-ray and neutron powder diffraction study
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7:2:17:27 Neutron diffraction study of the coupling between spin, lattice, and structural degrees of freedom in 0.8BiFeO(3)-0.2PbTiO(3)
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7:2:17:28 Enhanced magnetocapacitance and dielectric property of Co0.65Zn0.35Fe2O4-PbZr0.52Ti0.48O3 magnetodielectric composites
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7:2:17:29 A phenomenological model for ferroelectric domain walls and its implications for BiFeO3-PbTiO3 multiferroic compounds
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7:2:17:30 Preparation of multicomponent oxides by mechanochemical methods
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7:2:17:31 Bi-O covalency in PbTiO3-BiInO3 with enhanced ferroelectric properties: Synchrotron radiation diffraction and first-principles study
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7:2:17:32 Local structure underlying anomalous tetragonal distortions in BiFeO3-PbTiO3 ferroelectrics
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7:2:17:33 Origin of large dielectric constant in La modified BiFeO3-PbTiO3 multiferroic
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7:2:17:34 Local polar structure and multiferroic properties of (1-x)Bi0.9Dy0.1FeO3-xPbTiO(3) solid solution
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7:2:17:35 Multiferroic bismuth manganite prepared by mechanochemical synthesis
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7:2:17:36 Structural and magnetic properties of nanocrystalline bismuth manganite obtained by mechanochemical synthesis
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7:2:17:37 Synthesis, sintering and ionic conductivity of scandia-doped ceria ceramic materials obtained by different procedures
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7:2:17:38 On the microscopic mechanism for the stabilization of structural and ferroic states in displacive multiferroics
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7:2:17:39 Magnetic properties of nanoparticle La0.7Ca0.3MnO3 under applied hydrostatic pressure
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7:2:17:40 Doping influence on the stability of YMnO3 orthorhombic perovskite obtained by mechanosynthesis
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7:2:17:41 Structurally tuned multiferroic state in BiFeO3-based compounds
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7:2:17:42 Multiferroic Properties of La-Rich BiFeO3-PbTiO3 Solid Solutions
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7:2:17:43 Multiferroic Behavior of Lead-free AlFeO3 and Mn, Nb Doped Compositions
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7:2:17:44 Magnetic field sensing with a single piezoelectric ceramic disk: Experiments and modeling
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7:2:17:45 Pressure induced para-antiferromagnetic switching in BiFeO3-PbTiO3 as determined using in-situ neutron diffraction
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7:2:17:46 Synthesis of metastable Bi6Ti5WO22 phase by the mechanochemical method
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7:2:17:47 Eddy current induced magnetoelectricity in a piezoelectric unimorph bender
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7:2:17:48 Local structure underlying anomalous tetragonal distortions in BiFeO3-PbTiO3 ferroelectrics (vol 104, 242913, 2014)
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7:2:17:49 Optimization of the mechanochemical conditions for the synthesis of the xBiFeO(3)-(1-x)PbTiO3 multiferroic system
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7:2:17:50 Structure, magnetic, and dielectric properties of (1-x)BiFeO3-xBaTiO(3) ceramics
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7:2:17:51 Magnetic relaxation behavior in Tb-doped perovskite manganite
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7:2:18:1 Optical properties of quasi-tetragonal BiFeO3 thin films
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7:2:18:2 Temperature dependence of electronic transitions and optical properties in multiferroic BiFeO3 nanocrystalline film determined from transmittance spectra
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7:2:18:3 Size-Dependent Infrared Phonon Modes and Ferroelectric Phase Transition in BiFeO3 Nanoparticles
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7:2:18:4 Substrate influence on the optical and structural properties of pulsed laser deposited BiFeO3 epitaxial films
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7:2:18:5 Raman spectroscopy of single-domain multiferroic BiFeO3
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7:2:18:6 Influences of Oxygen Pressure on Optical Properties and Interband Electronic Transitions in Multiferroic Bismuth Ferrite Nanocrystalline Films Grown by Pulsed Laser Deposition
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7:2:18:7 Angular dispersion of oblique phonon modes in BiFeO3 from micro-Raman scattering
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7:2:18:8 Charge transfer and electronic transitions in polycrystalline BiFeO3
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7:2:18:9 Optical properties of integrated multiferroic BiFeO3 thin films for microwave applications
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7:2:18:10 Thickness-dependent optical properties in compressively strained BiFeO3/LaAlO3 films grown by pulsed laser deposition
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7:2:18:11 Lattice dynamics and dielectric functions of multiferroic BiFeO3/c-sapphire films determined by infrared reflectance spectra and temperature-dependent Raman scattering
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7:2:18:12 Optical anisotropy and charge-transfer transition energies in BiFeO3 from 1.0 to 5.5 eV
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7:2:18:13 Anharmonic phonons and magnons in BiFeO3
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7:2:18:14 Phonon spectroscopy near phase transition temperatures in multiferroic BiFeO3 epitaxial thin films
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7:2:18:15 Strain modulated optical properties in BiFeO3 thin films
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7:2:18:16 Raman study of the phonon symmetries in BiFeO3 single crystals
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7:2:18:17 Linear electro-optic effect in multiferroic BiFeO3 thin films
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7:2:18:18 Synthesis and characterization of BiFeO3 nanowires and their applications in dye-sensitized solar cells
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7:2:18:19 Effect of microstrain on the magnetic properties of BiFeO3 nanoparticles
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7:2:18:20 Diversity of electronic transitions and photoluminescence properties in nanocrystalline Mn/Fe-doped tin dioxide semiconductor films: An effect from oxygen pressure
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7:2:18:21 Variation of the lattice and spin dynamics in Bi1-xDyxFeO3 nanoparticles
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7:2:18:22 Coercivity and exchange bias of bismuth ferrite nanoparticles isolated by polymer coating
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7:2:18:23 Effect of annealing atmosphere on microstructural and photoluminescence characteristics of multiferroic BiFeO3 thin films prepared by pulsed laser deposition technique
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7:2:18:24 Large nonlinear optical coefficients in pseudo-tetragonal BiFeO3 thin films
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7:2:18:25 Weak ferromagnetic ordering in Ca doped polycrystalline BiFeO3
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7:2:18:26 Dielectric relaxation and magneto-dielectric effect in polycrystalline Bi0.9Ca0.1FeO2.95
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7:2:18:27 Probing bismuth ferrite nanoparticles by hard x-ray photoemission: Anomalous occurrence of metallic bismuth
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7:2:18:28 Dielectric relaxation near 25 K in multiferroic BiFeO3 ceramics
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7:2:18:29 Phonon anomalies near the magnetic phase transitions in BiFeO3 thin films with rhombohedral R-3c symmetry
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7:2:18:30 Chemical pressure effect on optical properties in multiferroic bulk BiFeO3
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7:2:18:31 Characterization and visible light photocatalytic mechanism of size-controlled BiFeO3 nanoparticles
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7:2:18:32 Optical and electrical properties of spray pyrolysis deposited nano-crystalline BiFeO3 films
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7:2:18:33 Spin cycloid destruction in Pr doped BiFeO3 films studied by conversion-electron Mossbauer spectroscopy
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7:2:18:34 Preparation and characterization of BiFeO3/LaNiO3 heterostructure films grown on silicon substrate
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7:2:18:35 Raman spectroscopy of single-domain multiferroic BiFeO3 (vol 81, 064110, 2010)
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7:2:18:36 Phonon Dynamics in BiFeO3 Studied by Raman Scattering
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7:2:18:37 Large refractive index in BiFeO3-BiCoO3 epitaxial films
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7:2:19:1 Temperature-dependent properties of the magnetic order in single-crystal BiFeO3
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7:2:19:2 Magnetic Dispersion and Anisotropy in Multiferroic BiFeO3
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7:2:19:3 Local Weak Ferromagnetism in Single-Crystalline Ferroelectric BiFeO3
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7:2:19:4 Noncollinear magnetism and single-ion anisotropy in multiferroic perovskites
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7:2:19:5 Spin Wave Measurements over the Full Brillouin Zone of Multiferroic BiFeO3
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7:2:19:6 Long-wavelength magnetic and magnetoelectric excitations in the ferroelectric antiferromagnet BiFeO3
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7:2:19:7 Low-temperature evolution of the modulated magnetic structure in the ferroelectric antiferromagnet BiFeO3
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7:2:19:8 Spin state and spectroscopic modes of multiferroic BiFeO3
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7:2:19:9 Structural phase transitions of robust insulating Bi1-xLaxFe1-yTiyO3 multiferroics
DOI:10.1063/1.4869743 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:3 AU: Zhang, Linlin;Yu, Jian;Itoh, Mitsuru;
7:2:19:10 Spin cycloid quenching in Nd3+-substituted BiFeO3
DOI:10.1103/PhysRevB.86.014407 JN:PHYSICAL REVIEW B PY:2012 TC:9 AU: Chen, P.;Guenaydin-Sen, Oe;Ren, W. J.;Qin, Z.;Brinzari, T. V.;McGill, S.;Cheong, S-W.;Musfeldt, J. L.;
7:2:19:11 Magnetic Cycloid of BiFeO3 from Atomistic Simulations
DOI:10.1103/PhysRevLett.109.037207 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:17 AU: Rahmedov, D.;Wang, Dawei;Iniguez, Jorge;Bellaiche, L.;
7:2:19:12 Orientation dependence of the critical magnetic field for multiferroic BiFeO3
DOI:10.1103/PhysRevB.88.104419 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Fishman, Randy S.;
7:2:19:13 Ultrafast Switching of the Electric Polarization and Magnetic Chirality in BiFeO3 by an Electric Field
DOI:10.1103/PhysRevLett.112.147601 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Bhattacharjee, Satadeep;Rahmedov, Dovran;Wang, Dawei;Iniguez, Jorge;Bellaiche, L.;
7:2:19:14 Terahertz Spectroscopy of Spin Waves in Multiferroic BiFeO3 in High Magnetic Fields
DOI:10.1103/PhysRevLett.110.257201 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:6 AU: Nagel, U.;Fishman, Randy S.;Katuwal, T.;Engelkamp, H.;Talbayev, D.;Yi, Hee Taek;Cheong, S. -W.;Room, T.;
7:2:19:15 Field dependence of the spin state and spectroscopic modes of multiferroic BiFeO3
DOI:10.1103/PhysRevB.87.224419 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Fishman, Randy S.;
7:2:19:16 Spin-cycloid instability as the origin of weak ferromagnetism in the disordered perovskite Bi0.8La0.2Fe0.5Mn0.5O3
DOI:10.1103/PhysRevB.89.144422 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Bertinshaw, J.;Cortie, D. L.;Cheng, Z. X.;Avdeev, M.;Studer, A. J.;Klose, F.;Ulrich, C.;Wang, X. L.;
7:2:19:17 Field-induced phase transitions and phase diagrams in BiFeO3-like multiferroics
DOI:10.1103/PhysRevB.87.214413 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Gareeva, Z. V.;Popkov, A. F.;Soloviov, S. V.;Zvezdin, A. K.;
7:2:19:18 Temperature-Dependent Interplay of Dzyaloshinskii-Moriya Interaction and Single-Ion Anisotropy in Multiferroic BiFeO3
DOI:10.1103/PhysRevLett.113.107202 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:1 AU: Jeong, Jaehong;Le, Manh Duc;Bourges, P.;Petit, S.;Furukawa, S.;Kim, Shin-Ae;Lee, Seongsu;Cheong, S-W.;Park, Je-Geun;
7:2:19:19 X-Ray Imaging and Multiferroic Coupling of Cycloidal Magnetic Domains in Ferroelectric Monodomain BiFeO3
DOI:10.1103/PhysRevLett.110.217206 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:10 AU: Johnson, R. D.;Barone, P.;Bombardi, A.;Bean, R. J.;Picozzi, S.;Radaelli, P. G.;Oh, Y. S.;Cheong, S. -W.;Chapon, L. C.;
7:2:19:20 Thermal evolution of the full three-dimensional magnetic excitations in the multiferroic BiFeO3
DOI:10.1103/PhysRevB.86.174419 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Xu, Zhijun;Wen, Jinsheng;Berlijn, Tom;Gehring, Peter M.;Stock, Christopher;Stone, M. B.;Ku, Wei;Gu, Genda;Shapiro, Stephen M.;Birgeneau, R. J.;Xu, Guangyong;
7:2:19:21 Negative magnetostrictive magnetoelectric coupling of BiFeO3
DOI:10.1103/PhysRevB.88.060103 JN:PHYSICAL REVIEW B PY:2013 TC:7 AU: Lee, Sanghyun;Fernandez-Diaz, M. T.;Kimura, H.;Noda, Y.;Adroja, D. T.;Lee, Seongsu;Park, Junghwan;Kiryukhin, V.;Cheong, S. -W.;Mostovoy, M.;Park, Je-Geun;
7:2:19:22 Crystal structure and magnetic properties of Bi(0.8)A(0.2)FeO(3) (A = La, Ca, Sr, Ba) multiferroics using neutron diffraction and Mossbauer spectroscopy
DOI:10.1063/1.4893241 JN:AIP ADVANCES PY:2014 TC:1 AU: Rangi, Manisha;Agarwal, Ashish;Sanghi, Sujata;Singh, Ripandeep;Meena, S. S.;Das, A.;
7:2:19:23 Theory of Spin-Orbit Enhanced Electric-Field Control of Magnetism in Multiferroic BiFeO3
DOI:10.1103/PhysRevLett.110.267202 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:5 AU: de Sousa, Rogerio;Allen, Marc;Cazayous, Maximilien;
7:2:19:24 Identifying the spectroscopic modes of multiferroic BiFeO3
DOI:10.1103/PhysRevB.86.220402 JN:PHYSICAL REVIEW B PY:2012 TC:22 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;
7:2:19:25 Origin of magnetic anisotropy and spiral spin order in multiferroic BiFeO3
DOI:10.1063/1.4729555 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Zhang, J. T.;Lu, X. M.;Zhou, J.;Sun, H.;Su, J.;Ju, C. C.;Huang, F. Z.;Zhu, J. S.;
7:2:19:26 Predicted Coupling of the Electromagnetic Angular Momentum Density with Magnetic Moments
DOI:10.1103/PhysRevLett.110.137205 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:7 AU: Raeliarijaona, Aldo;Singh, Surendra;Fu, Huaxiang;Bellaiche, L.;
7:2:19:27 Synthesis, structural and magnetic characterization of highly ordered single crystalline BiFeO3 nanotubes
DOI:10.1016/j.materresbull.2012.12.066 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:4 AU: de Oliveira, L. A. S.;Pirota, K. R.;
7:2:19:28 Field-induced phase transitions and phase diagrams in BiFeO3-like multiferroics (vol 87, 214413, 2013)
DOI:10.1103/PhysRevB.88.059901 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Gareeva, Z. V.;Popkov, A. F.;Soloviov, S. V.;Zvezdin, A. K.;
7:2:19:29 Magnetic Relaxation in Bismuth Ferrite Micro-Cubes
DOI:10.1080/00150193.2013.822287 JN:FERROELECTRICS PY:2013 TC:2 AU: Andrzejewski, B.;Chybczynska, K.;Pogorzelec-Glaser, K.;Hilczer, B.;Tolinski, T.;Leska, B.;Pankiewicz, R.;Cieluch, P.;
7:2:19:30 X-Ray Imaging and Multiferroic Coupling of Cycloidal Magnetic Domains in Ferroelectric Monodomain BiFeO3 (vol 110, 217206, 2013)
DOI:10.1103/PhysRevLett.111.109903 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:0 AU: Johnson, R. D.;Barone, P.;Bombardi, A.;Bean, R. J.;Picozzi, S.;Radaelli, P. G.;Oh, Y. S.;Cheong, S-W.;Chapon, L. C.;
7:2:20:1 BiFeO3 Ceramics: Processing, Electrical, and Electromechanical Properties
DOI:10.1111/jace.12982 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:10 AU: Rojac, Tadej;Bencan, Andreja;Malic, Barbara;Tutuncu, Goknur;Jones, Jacob L.;Daniels, John E.;Damjanovic, Dragan;
7:2:20:2 Strong ferroelectric domain-wall pinning in BiFeO3 ceramics
DOI:10.1063/1.3490249 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:56 AU: Rojac, Tadej;Kosec, Marija;Budic, Bojan;Setter, Nava;Damjanovic, Dragan;
7:2:20:3 Electrical Properties of Ca-Doped BiFeO3 Ceramics: From p-Type Semiconduction to Oxide-Ion Conduction
DOI:10.1021/cm300683e JN:CHEMISTRY OF MATERIALS PY:2012 TC:36 AU: Maso, Nahum;West, Anthony R.;
7:2:20:4 Intrinsic defects in multiferroic BiFeO3 and their effect on magnetism
DOI:10.1103/PhysRevB.85.104409 JN:PHYSICAL REVIEW B PY:2012 TC:21 AU: Paudel, Tula R.;Jaswal, Sitaram S.;Tsymbal, Evgeny Y.;
7:2:20:5 Tailoring the structure and piezoelectric properties of BiFeO3-(K0.5Bi0.5)TiO3-PbTiO3 ceramics for high temperature applications
DOI:10.1063/1.4824652 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Bennett, J.;Bell, A. J.;Stevenson, T. J.;Comyn, T. P.;
7:2:20:6 Control of conductivity and electric field induced strain in bulk Bi0.5K0.5TiO3-BiFeO3 ceramics
DOI:10.1063/1.4869976 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Morozov, Maxim I.;Einarsrud, Mari-Ann;Grande, Tor;
7:2:20:7 Atmosphere controlled conductivity and Maxwell-Wagner relaxation in Bi0.5K0.5TiO3-BiFeO3 ceramics
DOI:10.1063/1.4863798 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:4 AU: Morozov, Maxim I.;Einarsrud, Mari-Ann;Grande, Tor;
7:2:20:8 Large Electric-Field Induced Strain in BiFeO3 Ceramics
DOI:10.1111/j.1551-2916.2011.04861.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:19 AU: Rojac, Tadej;Kosec, Marija;Damjanovic, Dragan;
7:2:20:9 Piezoelectric nonlinearity and frequency dispersion of the direct piezoelectric response of BiFeO3 ceramics
DOI:10.1063/1.4754315 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:13 AU: Rojac, Tadej;Bencan, Andreja;Drazic, Goran;Kosec, Marija;Damjanovic, Dragan;
7:2:20:10 Structural and piezoelectric properties of high-density (Bi0.5K0.5)TiO3-BiFeO3 ceramics
DOI:10.1063/1.3506717 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:27 AU: Matsuo, Hiroki;Noguchi, Yuji;Miyayama, Masaru;Suzuki, Muneyasu;Watanabe, Akira;Sasabe, Shuji;Ozaki, Tomoatsu;Mori, Shigeo;Torii, Shuki;Kamiyama, Takashi;
7:2:20:11 Polarization and strain response in Bi0.5K0.5TiO3-BiFeO3 ceramics
DOI:10.1063/1.4772588 JN:APPLIED PHYSICS LETTERS PY:2012 TC:9 AU: Morozov, Maxim I.;Einarsrud, Mari-Ann;Grande, Tor;
7:2:20:12 Temperature dependence of the intrinsic and extrinsic contributions in BiFeO3-(K0.5Bi0.5)TiO3-PbTiO3 piezoelectric ceramics
DOI:10.1063/1.4894443 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Bennett, J.;Shrout, T. R.;Zhang, S. J.;Mandal, P.;Bell, A. J.;Stevenson, T. J.;Comyn, T. P.;
7:2:20:13 Multiferroic properties of BiFeO3-(K0.5Bi0.5)TiO3 ceramics
DOI:10.1016/j.matlet.2012.12.053 JN:MATERIALS LETTERS PY:2013 TC:13 AU: Bennett, J.;Bell, A. J.;Stevenson, T. J.;Smith, R. I.;Sterianou, I.;Reaney, I. M.;Comyn, T. P.;
7:2:20:14 Density functional theory plus U study of vacancy formations in bismuth ferrite
DOI:10.1063/1.3447369 JN:APPLIED PHYSICS LETTERS PY:2010 TC:16 AU: Zhang, Zhen;Wu, Ping;Chen, Lang;Wang, Junling;
7:2:20:15 Lead-Free Relaxor-Like 0.75Bi(0.5)K(0.5)TiO(3)-0.25BiFeO(3) Ceramics with Large Electric Field-Induced Strain
DOI:10.1080/00150193.2012.741946 JN:FERROELECTRICS PY:2012 TC:9 AU: Morozov, M. I.;Einarsrud, M. -A.;Grande, T.;Damjanovic, D.;
7:2:20:16 Dielectric, Ferroelectric, and Piezoelectric Properties of BiFeO3-BaTiO3 Ceramics
DOI:10.1111/jace.12475 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:8 AU: Wei, Yongxing;Wang, Xiaotao;Zhu, Jintao;Wang, Xiaoli;Jia, Jiangjiang;
7:2:20:17 Dielectric and magnetic properties of BiFe1-4x/3TixO3 ceramics with iron vacancies: Experimental and first-principles studies
DOI:10.1063/1.4813784 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Zou, L. Y.;Yang, R. P.;Lin, Y. B.;Qin, M. H.;Gao, X. S.;Zeng, M.;Liu, J. -M.;
7:2:20:18 Association of microstructure and electric heterogeneity in BiFeO3
DOI:10.1016/j.matchemphys.2013.08.061 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2013 TC:4 AU: Makhdoom, A. R.;Akhtar, M. J.;Khan, R. T. A.;Rafiq, M. A.;Hasan, M. M.;Sher, F.;Fitch, A. N.;
7:2:20:19 Exceptionally large piezoelectric strains in BiFeO3-(K0.5Bi0.5)TiO3-PbTiO3 ceramics
DOI:10.1016/j.scriptamat.2012.11.029 JN:SCRIPTA MATERIALIA PY:2013 TC:9 AU: Bennett, J.;Bell, A. J.;Stevenson, T. J.;Comyn, T. P.;
7:2:20:20 Defect-mediated ferroelectric domain depinning of polycrystalline BiFeO3 multiferroic thin films
DOI:10.1063/1.4867703 JN:APPLIED PHYSICS LETTERS PY:2014 TC:6 AU: Bretos, I.;Jimenez, R.;Gutierrez-Lazaro, C.;Montero, I.;Calzada, M. L.;
7:2:20:21 Piezoelectric and Dielectric Properties of Lead-Free (1-x)(Bi0.5K0.5)TiO3-xBiFeO(3) Ceramics
DOI:10.1080/00150193.2010.482448 JN:FERROELECTRICS PY:2010 TC:14 AU: Kim, J. M.;Sung, Y. S.;Cho, J. H.;Song, T. K.;Kim, M. H.;Chong, H. H.;Park, T. G.;Do, D.;Kim, S. S.;
7:2:20:22 First-principles study on the magnetic properties in Mg doped BiFeO3 with and without oxygen vacancies
DOI:10.1063/1.4850975 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Yang, Ruipeng;Lin, Sixian;Fang, Xiaogong;Gao, Xingsen;Zeng, Min;Liu, Junming;
7:2:20:23 Analysis of the Phase Transition and the Domain Structure in K0.5Bi0.5TiO3 Perovskite Ceramics by In Situ XRD and TEM
DOI:10.1111/j.1551-2916.2010.04013.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:14 AU: Otonicar, Mojca;Skapin, Sreco D.;Jancar, Bostjan;Ubic, Rick;Suvorov, Danilo;
7:2:20:24 Solid-State Synthesis and Properties of Relaxor (1-x)BKT-xBNZ Ceramics
DOI:10.1111/jace.13066 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:1 AU: Wefring, Espen T.;Morozov, Maxim I.;Einarsrud, Mari-Ann;Grande, Tor;
7:2:20:25 Ferroelectric phases and relaxor states in the novel lead-free (1-x) Bi1/2K1/2TiO3 - x BiScO3 system (0 <= x <= 0.3)
DOI:10.1007/s10853-011-6222-0 JN:JOURNAL OF MATERIALS SCIENCE PY:2012 TC:5 AU: Martin-Arias, L.;Castro, A.;Alguero, M.;
7:2:20:26 Pyroelectric properties of BiFeO3 ceramics prepared by a modified solid-state-reaction method
DOI:10.1007/s00339-009-5499-1 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:9 AU: Yao, Yingbang;Ploss, Bernd;Mak, C. L.;Wong, K. H.;
7:2:20:27 Dielectric and ferroelectric behaviors of BaTiO3-(K1/4Bi3/4)(Mg1/4Ti3/4)O-3 ceramics
DOI:10.1063/1.3531563 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Lu, Bin;Wang, Xiaoli;Shi, Jing;
7:2:20:28 High ferromagnetic transition temperature in multiferroic BiFe0.95Ni0.05O3 compound
DOI:10.1063/1.4826623 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Yoo, Y. J.;Hwang, J. S.;Lee, Y. P.;Park, J. S.;Kang, J. -H.;Kim, J.;Lee, B. W.;Seo, M. S.;
7:2:20:29 Effect of lanthanum substitution on microstructure and electrical properties of (Bi0.5Na0.5)(1-1.5x)LaxTi0.41Zr0.59O3 ceramics
DOI:10.1016/j.ceramint.2011.05.016 JN:CERAMICS INTERNATIONAL PY:2012 TC:1 AU: Jaiban, Panupong;Jiansirisomboon, Sukanda;Watcharapasorn, Anucha;
7:2:20:30 Preparation and Electrical Properties of Chemical Solution Deposited Ho- and Ti-co-doped BiFeO3 Thin Films
DOI:10.1080/00150193.2013.846153 JN:FERROELECTRICS PY:2013 TC:0 AU: Kim, Y. J.;Kim, J. W.;Kim, S. S.;
7:2:21:1 Epitaxial-Strain-Induced Multiferroicity in SrMnO3 from First Principles
DOI:10.1103/PhysRevLett.104.207204 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:95 AU: Lee, Jun Hee;Rabe, Karin M.;
7:2:21:2 Spin-phonon coupling effects in transition-metal perovskites: A DFT+U and hybrid-functional
DOI:10.1103/PhysRevB.85.054417 JN:PHYSICAL REVIEW B PY:2012 TC:37 AU: Hong, Jiawang;Stroppa, Alessandro;Iniguez, Jorge;Picozzi, Silvia;Vanderbilt, David;
7:2:21:3 Displacement-Type Ferroelectricity with Off-Center Magnetic Ions in Perovskite Sr1-xBaxMnO3
DOI:10.1103/PhysRevLett.107.137601 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:30 AU: Sakai, H.;Fujioka, J.;Fukuda, T.;Okuyama, D.;Hashizume, D.;Kagawa, F.;Nakao, H.;Murakami, Y.;Arima, T.;Baron, A. Q. R.;Taguchi, Y.;Tokura, Y.;
7:2:21:4 Coupled Magnetic-Ferroelectric Metal-Insulator Transition in Epitaxially Strained SrCoO3 from First Principles
DOI:10.1103/PhysRevLett.107.067601 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:20 AU: Lee, Jun Hee;Rabe, Karin M.;
7:2:21:5 Raman studies of spin-phonon coupling in hexagonal BaFe12O19
DOI:10.1063/1.4812575 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Chen, Xiang-Bai;Nguyen Thi Minh Hien;Han, Kiok;Sur, Jung Chul;Sung, N. H.;Cho, B. K.;Yang, In-Sang;
7:2:21:6 Pseudo Jahn-Teller Origin of Perovskite Multiferroics, Magnetic-Ferroelectric Crossover, and Magnetoelectric Effects: The d(0)-d(10) Problem
DOI:10.1103/PhysRevLett.108.137202 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:22 AU: Bersuker, Isaac B.;
7:2:21:7 Incipient ferroelectricity in 2.3% tensile-strained CaMnO3 films
DOI:10.1103/PhysRevB.85.214120 JN:PHYSICAL REVIEW B PY:2012 TC:12 AU: Guenter, T.;Bousquet, E.;David, A.;Boullay, Ph.;Ghosez, Ph.;Prellier, W.;Fiebig, M.;
7:2:21:8 Electron doping in the cubic perovskite SrMnO3: Isotropic metal versus chainlike ordering of Jahn-Teller polarons
DOI:10.1103/PhysRevB.82.180409 JN:PHYSICAL REVIEW B PY:2010 TC:13 AU: Sakai, H.;Ishiwata, S.;Okuyama, D.;Nakao, A.;Nakao, H.;Murakami, Y.;Taguchi, Y.;Tokura, Y.;
7:2:21:9 Benchmark study for the application of density functional theory to the prediction of octahedral tilting in perovskites
DOI:10.1103/PhysRevB.86.144107 JN:PHYSICAL REVIEW B PY:2012 TC:9 AU: Garcia-Fernandez, P.;Ghosh, S.;English, Niall J.;Aramburu, J. A.;
7:2:21:10 Soft phonon mode coupled with antiferromagnetic order in incipient-ferroelectric Mott insulators Sr1-xBaxMnO3
DOI:10.1103/PhysRevB.86.104407 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Sakai, H.;Fujioka, J.;Fukuda, T.;Bahramy, M. S.;Okuyama, D.;Arita, R.;Arima, T.;Baron, A. Q. R.;Taguchi, Y.;Tokura, Y.;
7:2:21:11 Improper origin of polar displacements at CaTiO3 and CaMnO3 twin walls
DOI:10.1103/PhysRevB.89.144104 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Barone, Paolo;Di Sante, Domenico;Picozzi, Silvia;
7:2:21:12 Large spin-phonon coupling and magnetically induced phonon anisotropy in SrMO3 perovskites (M = V,Cr,Mn,Fe,Co)
DOI:10.1103/PhysRevB.84.104440 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Lee, Jun Hee;Rabe, Karin M.;
7:2:21:13 Epitaxial strain effects on magnetic ordering and spin-phonon couplings in the (SrMnO3)(1)/(LaMnO3)(1) superlattice from first principles
DOI:10.1103/PhysRevB.88.094416 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Zhou, Yuanjun;Rabe, Karin M.;
7:2:21:14 Strong spin-phonon coupling in infrared and Raman spectra of SrMnO3
DOI:10.1103/PhysRevB.89.064308 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Kamba, S.;Goian, V.;Skoromets, V.;Hejtmanek, J.;Bovtun, V.;Kempa, M.;Borodavka, F.;Vanek, P.;Belik, A. A.;Lee, J. H.;Pacherova, O.;Rabe, K. M.;
7:2:21:15 Polar Antiferromagnets Produced with Orbital Order
DOI:10.1103/PhysRevLett.108.157603 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:3 AU: Ogawa, Naoki;Ogimoto, Yasushi;Ida, Yoshiaki;Nomura, Yusuke;Arita, Ryotaro;Miyano, Kenjiro;
7:2:21:16 Mechanism of ferroelectricity in d(3) perovskites: A model study
DOI:10.1103/PhysRevB.84.134101 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Barone, Paolo;Kanungo, Sudipta;Picozzi, Silvia;Saha-Dasgupta, Tanusri;
7:2:21:17 Crystal structure and magnetic properties of 6H-SrMnO3
DOI:10.1103/PhysRevB.84.094438 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Belik, Alexei A.;Matsushita, Yoshitaka;Katsuya, Yoshio;Tanaka, Masahiko;Kolodiazhnyi, Taras;Isobe, Masaaki;Takayama-Muromachi, Eiji;
7:2:21:18 Microscopic Origin of Large Negative Magnetoelectric Coupling in Sr1/2Ba1/2MnO3
DOI:10.1103/PhysRevLett.109.107601 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:9 AU: Giovannetti, Gianluca;Kumar, Sanjeev;Ortix, Carmine;Capone, Massimo;van den Brink, Jeroen;
7:2:21:19 Orbital-Ordering-Induced Ferroelectricity in SrCrO3
DOI:10.1103/PhysRevLett.111.077601 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:4 AU: Gupta, Kapil;Mahadevan, Priya;Mavropoulos, Phivos;Lezaic, Marjana;
7:2:21:20 Influence of magnetic ordering on structural instabilities in insulating perovskites
DOI:10.1103/PhysRevB.83.174406 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Garcia-Fernandez, Pablo;Antonio Aramburu, Jose;Moreno, Miguel;
7:2:21:21 Mechanism of ferroelectric instabilities in non-d(0) perovskites: LaCrO3 versus CaMnO3
DOI:10.1103/PhysRevB.83.054110 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Ederer, Claude;Harris, Tim;Kovacik, Roman;
7:2:21:22 Determination of ground-state and low-energy structures of perovskite superlattices from first principles
DOI:10.1103/PhysRevB.89.214108 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Zhou, Yuanjun;Rabe, Karin M.;
7:2:21:23 Effect of site-disorder on magnetism and magneto-structural coupling in gallium ferrite: A first-principles study
DOI:10.1063/1.3688852 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Roy, Amritendu;Prasad, Rajendra;Auluck, Sushil;Garg, Ashish;
7:2:21:24 Neutron scattering studies of the ferroelectric distortion and spin dynamics in the type-1 multiferroic perovskite Sr0.56Ba0.44MnO3
DOI:10.1103/PhysRevB.90.140401 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Pratt, Daniel K.;Lynn, Jeffrey W.;Mais, James;Chmaissem, Omar;Brown, Dennis E.;Kolesnik, Stanislaw;Dabrowski, Bogdan;
7:2:21:25 Strain-induced metal-insulator transition in ultrathin films of SrRuO3
DOI:10.1103/PhysRevB.90.125109 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Gupta, Kapil;Mandal, Basudeb;Mahadevan, Priya;
7:2:21:26 Theoretical study of magnetic phase transitions of cubic SrMnO3 under physical and chemical pressures
DOI:10.1016/j.commatsci.2013.11.022 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2014 TC:1 AU: Chen, Xing-Yuan;Zhu, Wei-ling;Lin, Shi-Yuan;Zhao, Yu-Jun;
7:2:21:27 Origin of the different multiferroism in BiFeO3 and GaFeO3
DOI:10.1063/1.4791586 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Bahoosh, S. G.;Wesselinowa, J. M.;
7:2:21:28 Thermoelectric Properties of Electron-Doped SrMnO3 Single Crystals with Perovskite Structure
DOI:10.1007/s11664-011-1860-1 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2012 TC:3 AU: Suzuki, T.;Sakai, H.;Taguchi, Y.;Tokura, Y.;
7:2:21:29 Structure and Properties of Magnetoelectric Gallium Ferrite: A Brief Review
DOI:10.1080/00150193.2014.923704 JN:FERROELECTRICS PY:2014 TC:1 AU: Roy, Amritendu;Mukherjee, Somdutta;Gupta, Rajeev;Prasad, Rajendra;Garg, Ashish;
7:2:21:30 Spin-lattice coupling and phonon dispersion of CdCr2O4 from first principles
DOI:10.1103/PhysRevB.86.184429 JN:PHYSICAL REVIEW B PY:2012 TC:10 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;Phonon softening and dispersion in EuTiO3;PHYSICAL REVIEW B;86;22;220301;10.1103/PhysRevB.86.220301;DEC 4 2012;2012;We measured phonon dispersion in single-crystal EuTiO3 using inelastic;x-ray scattering. Astructural transition to an antiferrodistortive phase;was found at a critical temperature T-0 = 287 +/- 1K using powder and;single-crystal x-ray diffraction. Clear softening of the zone boundary;R-point q = (0.5 0.5 0.5) acoustic phonon shows this to be a displacive;transition. The mode energy plotted against reduced temperature could be;seen to nearly overlap that of SrTiO3, suggesting a universal scaling;relation. Phonon dispersion was measured along Gamma-X (0 0 0) -> (0.5 0;0). Mode eigenvectors were obtained from a shell model consistent with;the q dependence of intensity and energy, which also showed that the;dispersion is nominally the same as in SrTiO3 at room temperature, but;corrected for mass. The lowest-energy optical mode, determined to be of;Slater character, softens approximately linearly with temperature until;the 70-100 K range where the softening stops, and at low temperature,;the mode disperses linearly near the zone center.;7;0;0;0;7;1098-0121;WOS:000311910600001;;;J;Fock, J.;Leijnse, M.;Jennum, K.;Zyazin, A. S.;Paaske, J.;Hedegard, P.;Nielsen, M. Brondsted;van der Zant, H. S. J.;Manipulation of organic polyradicals in a single-molecule transistor;PHYSICAL REVIEW B;86;23;235403;10.1103/PhysRevB.86.235403;DEC 4 2012;2012;Inspired by cotunneling spectroscopy of spin-states in a single;OPE5-based molecule, we investigate the prospects for electric control;of magnetism in purely organic molecules contacted in a three-terminal;geometry. Using the gate electrode, the molecule is reversibly switched;between three different redox states, with magnetic spectra revealing;both ferromagnetic and antiferromagnetic exchange couplings on the;molecule. These observations are shown to be captured by an effective;low-energy Heisenberg model, which we substantiate microscopically by a;simple valence bond description of the molecule. These preliminary;findings suggest an interesting route towards functionalized all-organic;molecular magnetism.;Fock, Jeppe/A-9074-2011;Fock, Jeppe/0000-0002-7515-4026;3;0;0;0;3;1098-0121;WOS:000311911100003;;;J;Li, P. H. Y.;Bishop, R. F.;Campbell, C. E.;Farnell, D. J. J.;Goetze, O.;Richter, J.;Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice;PHYSICAL REVIEW B;86;21;214403;10.1103/PhysRevB.86.214403;DEC 4 2012;2012;We use the coupled-cluster method to study the zero-temperature;properties of an extended two-dimensional Heisenberg antiferromagnet;formed from spin-1/2 moments on an infinite spatially anisotropic kagome;lattice of corner-sharing isosceles triangles, with nearest-neighbor;bonds only. The bonds have exchange constants J(1) > 0 along two of the;three lattice directions and J(2) = kappa J(1) > 0 along the third. In;the classical limit, the ground-state (GS) phase for kappa < 1/2 has;collinear ferrimagnetic (Neel') order where the J(2)-coupled chain spins;are ferromagnetically ordered in one direction with the remaining spins;aligned in the opposite direction, while for kappa > 1/2 there exists an;infinite GS family of canted ferrimagnetic spin states, which are;energetically degenerate. For the spin-1/2 case, we find that quantum;analogs of both these classical states continue to exist as stable GS;phases in some regions of the anisotropy parameter kappa, namely, for 0;< kappa < kappa(c1) for the Neel' state and for (at least part of) the;region kappa > kappa(c2) for the canted phase. However, they are now;separated by a paramagnetic phase without either sort of magnetic order;in the region kappa(c1) < kappa < kappa(c2), which includes the;isotropic kagome point kappa = 1 where the stable GS phase is now;believed to be a topological (Z(2)) spin liquid. Our best numerical;estimates are kappa(c1) = 0.515 +/- 0.015 and kappa(c2) = 1.82 +/- 0.03.;Richter, Johannes/A-6339-2009; Bishop, Raymond/D-9715-2012;Bishop, Raymond/0000-0001-5565-0658;4;0;0;0;4;1098-0121;WOS:000311910100002;;;J;Monozon, B. S.;Schmelcher, P.;Bound and resonant impurity states in a narrow gapped armchair graphene;nanoribbon;PHYSICAL REVIEW B;86;24;245404;10.1103/PhysRevB.86.245404;DEC 4 2012;2012;An analytical study of discrete and resonant impurity quasi-Coulomb;states in a narrow gapped armchair graphene nanoribbon (GNR) is;performed. We employ the adiabatic approximation assuming that the;motions parallel ("slow") and perpendicular ("fast") to the boundaries;of the ribbon are separated adiabatically. The energy spectrum comprises;a sequence of series of quasi-Rydberg levels relevant to the slow motion;adjacent from the low energies to the size-quantized levels associated;with the fast motion. Only the series attributed to the ground;size-quantized subband is really discrete, while others corresponding to;the excited subbands consist of quasidiscrete (Fano resonant) levels of;nonzero energetic widths, caused by the coupling with the states of the;continuous spectrum branching from the low lying subbands. In the;two-and three-subband approximation the spectrum of the complex energies;of the impurity electron is derived in an explicit form. Narrowing the;GNR leads to an increase of the binding energy and the resonant width;both induced by the finite width of the ribbon. Displacing the impurity;center from the midpoint of the GNR causes the binding energy to;decrease, while the resonant width of the first excited Rydberg series;increases. As for the second excited series, their widths become;narrower with the shift of the impurity. A successful comparison of our;analytical results with those obtained by other theoretical and;experimental methods is presented. Estimates of the binding energies and;the resonant widths taken for the parameters of typical GNRs show that;not only the strictly discrete but also some resonant states are quite;stable and could be studied experimentally in doped GNRs.;Monozon, Boris/E-6412-2012; Schmelcher, Peter/D-9592-2014;Schmelcher, Peter/0000-0002-2637-0937;0;0;0;0;0;1098-0121;WOS:000311911900002;;;J;Thiaville, Andre;Vukadinovic, Nicolas;Acher, Olivier;Sum rule for the magnetic permeability of arbitrary textures;PHYSICAL REVIEW B;86;21;214404;10.1103/PhysRevB.86.214404;DEC 4 2012;2012;The f-sum rule for the magnetic permeability, derived previously for an;assembly of isolated macrospins, is generalized for an arbitrary;nonuniform three-dimensional magnetization texture, in which the;magnetizations at different points are coupled by exchange and;magnetostatic interactions. The sum value depends only on the magnetic;texture at rest. It has no direct contribution from the exchange energy,;but depends on the anisotropy, applied field, and demagnetizing;energies. The derived formula is tested against numerical calculations;for several complex and very different magnetization structures. This;generalized sum rule should be useful for experiments, numerical;simulations, and metrology.;1;0;0;0;1;1098-0121;WOS:000311910100003;;;J;Troc, R.;Gajek, Z.;Pikul, A.;Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as;seen in magnetic, transport, and specific-heat data;PHYSICAL REVIEW B;86;22;224403;10.1103/PhysRevB.86.224403;DEC 4 2012;2012;Single-crystalline UGe2 was investigated by means of magnetic;susceptibility, magnetization, electrical resistivity,;magnetoresistivity, and specific-heat measurements, all carried out in;wide temperature and magnetic-field ranges. An analysis of the obtained;data points out the dual behavior of the 5f electrons in this compound,;i. e., possessing simultaneously local and itinerant characters in two;substates. The magnetic and thermal characteristics of the compound were;modeled using the effective crystal field (CF) in the intermediate;coupling scheme and initial parameters obtained in the angular overlap;model. Various configurations of the localized 5f(n) (n = 1, 2, and 3);electrons on the uranium ion have been probed. The best results were;obtained for the 5f(2) (U4+) configuration. The CF parameters obtained;in the paramagnetic region allowed us to reproduce satisfactorily the;experimental findings in the whole temperature range including also the;magnitude of the ordered magnetic moment of uranium at low temperature.;The electrical resistivity data after subtraction of the phonon;contribution reveal the presence of a Kondo-like interaction in UGe2;supporting the idea of partial localization of the 5f electrons in UGe2.;On the other hand, magnetoresistivity and an excess of specific heat;originated from the hybridized (itinerant) part of 5f states, apparent;around the characteristic temperature T*, give a distinct signature for;the presence of the coupled charge-density wave and spin-density wave;fluctuations over all the ferromagnetic region with a maximum at T*,;postulated earlier in the literature.;7;0;0;0;7;1098-0121;WOS:000311910600004;;;J;Williams, T. J.;Yamani, Z.;Butch, N. P.;Luke, G. M.;Maple, M. B.;Buyers, W. J. L.;Neutron scattering study of URu2-xRexSi2 (x=0.10): Driving order towards;quantum criticality;PHYSICAL REVIEW B;86;23;235104;10.1103/PhysRevB.86.235104;DEC 4 2012;2012;We report inelastic neutron scattering measurements in the hidden order;state of URu2-xRexSi2 with x = 0.10. We observe that towards the;ferromagnetic quantum critical point induced by the negative chemical;pressure of Re doping, the gapped incommensurate fluctuations are robust;and comparable in intensity to the parent material. As the Re doping;moves the system toward the quantum critical point, the commensurate;spin fluctuations related to hidden order weaken, display a shortened;lifetime, and slow down. Halfway to the quantum critical point, the;hidden order phase survives, albeit weakened, in contrast to its;destruction by hydrostatic pressure and by positive chemical pressure;from Rh doping.;yamani, zahra/B-7892-2012; Luke, Graeme/A-9094-2010;0;0;0;0;0;1098-0121;WOS:000311911100001;;;J;Wolfowicz, Gary;Simmons, Stephanie;Tyryshkin, Alexei M.;George, Richard E.;Riemann, Helge;Abrosimov, Nikolai V.;Becker, Peter;Pohl, Hans-Joachim;Lyon, Stephen A.;Thewalt, Mike L. W.;Morton, John J. L.;Decoherence mechanisms of Bi-209 donor electron spins in isotopically;pure Si-28;PHYSICAL REVIEW B;86;24;245301;10.1103/PhysRevB.86.245301;DEC 4 2012;2012;Bismuth (Bi-209) is the deepest group V donor in silicon and possesses;the most extreme characteristics such as a 9/2 nuclear spin and a 1.5;GHz hyperfine coupling. These lead to several potential advantages for a;Si:Bi donor electron spin qubit compared to the more common phosphorus;donor. Most previous studies on Si: Bi have been performed using natural;silicon where linewidths and electron spin coherence times are limited;by the presence of Si-29 impurities. Here, we describe electron spin;resonance (ESR) and electron nuclear double resonance (ENDOR) studies on;Bi-209 in isotopically pure Si-28. ESR and ENDOR linewidths, transition;probabilities, and coherence times are understood in terms of the spin;Hamiltonian parameters showing a dependence on field and m(I) of the;Bi-209 nuclear spin. We explore various decoherence mechanisms;applicable to the donor electron spin, measuring coherence times up to;700 ms at 1.7 K at X band, comparable with Si-28:P. Importantly, the;coherence times we measure follow closely to the calculated field;gradients of the transition frequencies (df/dB), providing a strong;motivation to explore "clock" transitions where coherence lifetimes;could be further enhanced.;Morton, John/I-3515-2013;6;1;0;0;6;1098-0121;WOS:000311911900001;;;J;Armbruster, Oskar;Lungenschmied, Christoph;Bauer, Siegfried;Investigation of trap states and mobility in organic semiconductor;devices by dielectric spectroscopy: Oxygen-doped P3HT:PCBM solar cells;PHYSICAL REVIEW B;86;23;235201;10.1103/PhysRevB.86.235201;DEC 3 2012;2012;We investigate the dielectric response of solar cell devices based on;oxygen-doped poly(3-hexylthiophene):[6,6]-phenyl-C-61-butyric acid;methyl ester (P3HT:PCBM) blends as a function of temperature between 133;K and 303 K. The spectra are analyzed using a recently introduced model;[O. Armbruster, C. Lungenschmied, and S. Bauer, Phys. Rev. B 84, 085208;(2011)] which is based on a trapping and reemission mechanism of charge;carriers. A dominating trap depth of 130 meV is determined and the;broadening of this trap level identified as purely thermal. In addition;we estimate the density of charge carriers after doping as well as their;mobility. We show that the concentration of mobile holes approximately;doubles by heating the device from the lowest to the highest measured;temperature. This is indicative of a second, shallow trap level of;approximately 14 meV. Dielectric spectroscopy hence proves to be a;valuable tool to assess device parameters such as dopant concentration,;charge carrier transport characteristics, and mobility which are of;crucial interest for understanding degradation in organic semiconductor;devices.;Bauer, Siegfried/A-2354-2009; Armbruster, Oskar/G-1154-2014;Armbruster, Oskar/0000-0002-4235-4451;3;0;0;0;3;1098-0121;WOS:000311806300004;;;J;Chen, Bo;Abbey, Brian;Dilanian, Ruben;Balaur, Eugeniu;van Riessen, Grant;Junker, Mark;Tran, Chanh Q.;Jones, Michael W. M.;Peele, Andrew G.;McNulty, Ian;Vine, David J.;Putkunz, Corey T.;Quiney, Harry M.;Nugent, Keith A.;Diffraction imaging: The limits of partial coherence;PHYSICAL REVIEW B;86;23;235401;10.1103/PhysRevB.86.235401;DEC 3 2012;2012;Coherent diffraction imaging (CDI) typically requires that the source;should be highly coherent both laterally and longitudinally. In this;paper, we demonstrate that lateral and longitudinal partial coherence;can be successfully included in a CDI reconstruction algorithm;simultaneously using experimental x-ray data. We study the interplay;between lateral partial coherence and longitudinal partial coherence and;their relative influence on CDI. We compare our results against the;coherence criteria published by Spence et al. [Spence et al.,;Ultramicroscopy 101, 149 (2004)] and show that for iterative ab initio;phase-recovery algorithms based on those typically used in CDI and in;cases where the coherence properties are known, we are able to relax the;minimal coherence requirements by a factor of 2 both laterally and;longitudinally, potentially yielding significant reduction in exposure;time.;Jones, Michael/M-6895-2013; Abbey, Brian/D-3274-2011;Jones, Michael/0000-0002-0720-8715;;5;1;0;0;5;1098-0121;WOS:000311806300008;;;J;Gawarecki, Krzysztof;Lueker, Sebastian;Reiter, Doris E.;Kuhn, Tilmann;Glaessl, Martin;Axt, Vollrath Martin;Grodecka-Grad, Anna;Machnikowski, Pawel;Dephasing in the adiabatic rapid passage in quantum dots: Role of;phonon-assisted biexciton generation;PHYSICAL REVIEW B;86;23;235301;10.1103/PhysRevB.86.235301;DEC 3 2012;2012;We study the evolution of an exciton confined in a quantum dot;adiabatically controlled by a frequency-swept (chirped) laser pulse in;the presence of carrier-phonon coupling. We focus on the dynamics;induced by a linearly polarized beam and analyze the decoherence due to;phonon-assisted biexciton generation. We show that if the biexciton;state is shifted down by a few meV, as is typically the case, then the;resulting decoherence is strong even at low temperatures. As a result,;efficient state preparation is restricted to a small parameter area;corresponding to low temperatures, positive chirps, and moderate pulse;areas.;Kuhn, Tilmann/C-1190-2008;6;0;0;0;6;1098-0121;WOS:000311806300006;;;J;Hellstrom, Matti;Spangberg, Daniel;Hermansson, Kersti;Broqvist, Peter;Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface;PHYSICAL REVIEW B;86;23;235302;10.1103/PhysRevB.86.235302;DEC 3 2012;2012;The formation of Cu dimers on the ZnO(10 (1) over bar0) surface has been;studied using hybrid density functional theory. Depending on the;adsorption site, Cu atoms are found to adsorb with either oxidation;state 0 or +1. In the latter case, the Cu atom has donated an electron;to the ZnO conduction band. The two modes of adsorption display similar;stability at low coverages, while at higher coverages the neutral;species is more stable. Single Cu atoms diffuse across the ZnO(10 (1);over bar0) surface with small barriers of migration (0.3-0.4 eV) along;ZnO[1 (2) over bar 10], repeatedly switching their oxidation states,;while the barrier along ZnO[0001] is significantly higher (>1.5 eV). The;formation of a Cu dimer from two adsorbed Cu atoms is energetically;favorable with two competing structures of similar stability, both being;charge neutral. The minimum energy paths for Cu atom diffusion and dimer;formation are characterized by at least one of the two Cu atoms being in;oxidation state 0.;5;0;0;0;5;1098-0121;WOS:000311806300007;;;J;Huang, Yu-Kun;Chen, Pochung;Kao, Ying-Jer;Accurate computation of low-temperature thermodynamics for quantum spin;chains;PHYSICAL REVIEW B;86;23;235102;10.1103/PhysRevB.86.235102;DEC 3 2012;2012;We apply the biorthonormal transfer-matrix renormalization group (BTMRG);[Huang, Phys. Rev. E 83, 036702 (2011)] to study low-temperature;properties of quantum spin chains. Simulations on anisotropic Heisenberg;spin-1/2 chains demonstrate that the BTMRG outperforms the conventional;transfer-matrix renormalization group by successfully accessing far;lower temperature than previously reported, while retaining the same;level of accuracy. The power of the method is further illustrated by the;calculation of the low-temperature specific heat for a frustrated spin;chain.;Kao, Ying Jer/B-5297-2009; Chen, Pochung/G-1241-2010;Kao, Ying Jer/0000-0002-3329-6018;;4;0;0;0;4;1098-0121;WOS:000311806300002;;;J;Kim, Jin Hee;Rhyee, Jong-Soo;Kwon, Yong Seung;Magnon gap formation and charge density wave effect on thermoelectric;properties in the SmNiC2 compound;PHYSICAL REVIEW B;86;23;235101;10.1103/PhysRevB.86.235101;DEC 3 2012;2012;We studied the electrical, thermal, and thermoelectric properties of the;polycrystalline compound of SmNiC2. The electrical resistivity and;magnetization measurement show the interplay between the charge density;wave at T-CDW = 150 K and the ferromagnetic ordering of T-c = 18 K.;Below the ferromagnetic transition temperature, we observed the magnon;gap formation of Delta similar or equal to 4.3- 4.4 meV by rho(T) and;C-p (T) measurements. The charge density wave is attributed to the;increase of the Seebeck coefficient resulting in the increase of the;power factor S-2 sigma. The thermal conductivity anomalously increases;with increasing temperature along the whole measured temperature range,;which implies the weak attribution of Umklapp phonon scattering. The;thermoelectric figure of merit ZT significantly increases due to the;increase of the power factor at T-CDW = 150 K. Here we argue that the;competing interaction between electron-phonon and electron-magnon;couplings exhibits the unconventional behavior of electrical and thermal;properties.;6;0;1;0;6;1098-0121;WOS:000311806300001;;;J;Osorio-Guillen, J. M.;Larrauri-Pizarro, Y. D.;Dalpian, G. M.;Pressure-induced metal-insulator transition and absence of magnetic;order in FeGa3 from a first-principles study;PHYSICAL REVIEW B;86;23;235202;10.1103/PhysRevB.86.235202;DEC 3 2012;2012;The intermetallic compound FeGa3 is a narrow-gap semiconductor with a;measured gap between 0.2 and 0.6 eV. The presence of iron d states on;the top of the valence band and on the bottom of the conduction band,;together with its moderate electronic correlation (U/W similar to 0.6),;have led to the question of whether there is magnetic order in this;compound. We have examined the possible presence of magnetism in FeGa3;as well as its electronic structure at high pressures, using the density;functional theory (DFT) + U method with the intermediated;double-counting scheme. We have found that for an optimized value of the;Yukawa screening length., there is no magnetic moment on the iron ions;(mu = 0), implying that FeGa3 is nonmagnetic. We have also found that;around a pressure of 25 GPa a metal-insulator transition takes place.;Osorio-Guillen, Jorge/B-7587-2008; Dalpian, Gustavo/B-9746-2008;Osorio-Guillen, Jorge/0000-0002-7384-8999;;3;0;0;0;3;1098-0121;WOS:000311806300005;;;J;Yuan, Xun;Zhang, Yubo;Abtew, Tesfaye A.;Zhang, Peihong;Zhang, Wenqing;VO2: Orbital competition, magnetism, and phase stability;PHYSICAL REVIEW B;86;23;235103;10.1103/PhysRevB.86.235103;DEC 3 2012;2012;The relative phase stability of VO2 is one of the most fundamental;issues concerning the metal-insulator transition in this material but;has been so far largely unexplored theoretically. We investigate the;relative stability of various phases of VO2 using different levels of;energy functionals within density functional theory (DFT). It is found;that straightforward applications of several popular energy functionals,;including the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, result in;a wrong prediction for the ground state of VO2. In particular, although;the HSE and DFT + U methods are able to produce a band gap in the M-1;phase, they strongly favor the formation of local magnetic moments, a;result that clearly disagrees with experiments. We also examine the;effect of the occupation and the redistribution of the d derived t(2g);(i.e., d(xz), d(yz), and d(x2-y2)) orbitals of V atoms on the calculated;relative phase stability of VO2. We find that a small change in d;occupation can result in a drastically different theoretical prediction.;With the introduction of an orbital-dependent potential, a complete;separation between the d(x2-y2) derived valence band and d(xz) and d(yz);derived conduction bands in the M-1 phase is achieved, resulting in a;slight redistribution of the d occupation and a more faithful account of;the polarization of the t(2g) orbitals. This slight rearrangement of the;d occupation also leads to a relative phase stability of VO2 ( including;structural and magnetic phases) that agrees well with experiment.;Zhang, Wenqing/K-1236-2012; Zhang, Peihong/D-2787-2012;4;0;0;0;4;1098-0121;WOS:000311806300003;;;J;Campi, Davide;Bernasconi, Marco;Benedek, Giorgio;Electronic properties and lattice dynamics of the As(111) surface;PHYSICAL REVIEW B;86;24;245403;10.1103/PhysRevB.86.245403;DEC 3 2012;2012;The bulk and surface electronic and structural properties of As(111);have been studied with first-principles methods. The inclusion of;spin-orbit interaction reveals that As shares the same topologically;nontrivial order of the bulk electronic bands of Sb which gives rise to;two spin-polarized surface states connecting valence-like and;conduction-like states. Bulk and surface phonons have been calculated by;means of density functional perturbation theory. The surface phonon;bands reveal features related to a remarkable stiffening of the surface;bilayer with respect to the bulk ones similarly to what is measured for;the Bi(111) and to what is expected for the Sb(111) surface.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000311806500003;;;J;Chakraborty, Akash;Wenk, Paul;Bouzerar, Richard;Bouzerar, Georges;Spontaneous magnetization in the presence of nanoscale inhomogeneities;in diluted magnetic systems;PHYSICAL REVIEW B;86;21;214402;10.1103/PhysRevB.86.214402;DEC 3 2012;2012;The presence of nanoscale inhomogeneities has been experimentally;evidenced in several diluted magnetic systems, which in turn often leads;to interesting physical phenomena. However, a proper theoretical;understanding of the underlying physics is lacking in most of the cases.;Here, we present a detailed and comprehensive theoretical study of the;effects of nanoscale inhomogeneities on the temperature-dependent;spontaneous magnetization in diluted magnetic systems, which is found to;exhibit an unusual and unconventional behavior. The effects of impurity;clustering on the magnetization response have hardly been studied until;now. We show that nanosized clusters of magnetic impurities can lead to;drastic effects on the magnetization compared to that of homogeneously;diluted compounds. The anomalous nature of the magnetization curves;strongly depends on the relative concentration of the inhomogeneities as;well as the effective range of the exchange interactions. In addition,;we also provide a systematic discussion of the nature of the;distributions of the local magnetizations.;3;0;0;0;3;1098-0121;WOS:000311805500004;;;J;Dmitriev, A. P.;Gornyi, I. V.;Polyakov, D. G.;Coulomb drag between ballistic quantum wires;PHYSICAL REVIEW B;86;24;245402;10.1103/PhysRevB.86.245402;DEC 3 2012;2012;We develop a kinetic equation description of Coulomb drag between;ballistic one-dimensional electron systems, which enables us to;demonstrate that equilibration processes between right- and left-moving;electrons are crucially important for establishing dc drag. In;one-dimensional geometry, this type of equilibration requires either;backscattering near the Fermi level or scattering with small-momentum;transfer near the bottom of the electron spectrum. Importantly, pairwise;forward scattering in the vicinity of the Fermi surface alone is not;sufficient to produce a nonzero dc drag resistivity rho(D), in contrast;to a number of works that have studied Coulomb drag due to this;mechanism of scattering before. We show that slow equilibration between;two subsystems of electrons of opposite chirality, "bottlenecked" by;inelastic collisions involving cold electrons near the bottom of the;conduction band, leads to a strong suppression of Coulomb drag, which;results in an activation dependence of rho(D) on temperature, instead of;the conventional power law. We demonstrate the emergence of a drag;regime in which rho(D) does not depend on the strength of interwire;interactions, while depending strongly on the strength of interactions;inside the wires.;4;0;0;0;4;1098-0121;WOS:000311806500002;;;J;Etz, Corina;Costa, Marcio;Eriksson, Olle;Bergman, Anders;Accelerating the switching of magnetic nanoclusters by anisotropy-driven;magnetization dynamics;PHYSICAL REVIEW B;86;22;224401;10.1103/PhysRevB.86.224401;DEC 3 2012;2012;In this work, the magnetization dynamics of clusters supported on;nonmagnetic substrates is shown to exhibit a complex response when;subjected to external magnetic fields. The field-driven magnetization;reversal of small Co clusters deposited on a Cu(111) surface has been;studied by means of first-principles calculations and atomistic spin;dynamics simulations. For applied fields ranging from 1 to 10 Tesla, we;observe a coherent magnetization reversal with switching times in the;range of several tenths of picoseconds to several nanoseconds, depending;on the field strength. We find a nonmonotonous dependence of the;switching times with respect to the strength of the applied field, which;we prove has its origin in the complex magnetic anisotropy landscape of;these low-dimensional systems. This effect is shown to be stable for;temperatures around 10 K, and is possible to realize over a range of;exchange interactions and anisotropy landscapes. Possible experimental;routes to achieve this unique switching behavior are discussed.;Bergman, Anders/H-7996-2012; Etz, Corina/E-3112-2014; Eriksson, Olle/E-3265-2014;Bergman, Anders/0000-0002-5134-1978;;3;1;0;0;3;1098-0121;WOS:000311805700003;;;J;Harada, S.;Zhou, J. J.;Yao, Y. G.;Inada, Y.;Zheng, Guo-qing;Abrupt enhancement of noncentrosymmetry and appearance of a spin-triplet;superconducting state in Li-2(Pd1-xPtx)(3)B beyond x=0.8;PHYSICAL REVIEW B;86;22;220502;10.1103/PhysRevB.86.220502;DEC 3 2012;2012;We report synthesis, Pt-195, B-11, and Li-7 NMR measurements, and;first-principles band calculations for noncentrosymmetric;superconductors Li-2(Pd1-xPtx)(3)B (x = 0, 0.2, 0.5, 0.8, 0.84, 0.9, and;1). For 0 <= x <= 0.8, the spin-lattice relaxation rate 1/T-1 shows a;clear coherence peak just below T-c, decreasing exponentially at low;temperature, and the Knight shift K-195 decreases below Tc. For x = 0.9;and 1.0, in contrast, 1/T-1 shows no coherence peak but a T-3 variation;and K-195 remains unchanged across T-c. These results indicate that the;superconducting state changes drastically from a spin-singlet dominant;to a spin-triplet dominant state at x = 0.8. We find that the distortion;of B(Pt,Pd)(6) increases abruptly above x = 0.8, which leads to an;abrupt enhancement of the asymmetric spin-orbit coupling as confirmed by;band calculation. Such structure distortion that enhances the extent of;inversion-symmetry breaking is primarily responsible for the pairing;symmetry evolution. The insight obtained here provides a guideline for;searching for noncentrosymmetric superconductors with a large;spin-triplet component.;Yao, Yugui/A-8411-2012; Zheng, Guo-qing/B-1524-2011;6;0;0;0;6;1098-0121;WOS:000311805700002;;;J;Huang, C. L.;Fritsch, V.;Kittler, W.;v. Loehneysen, H.;Low-temperature properties of CeAu2Ge2 single crystals grown from Au-Ge;and Sn flux;PHYSICAL REVIEW B;86;21;214401;10.1103/PhysRevB.86.214401;DEC 3 2012;2012;The specific heat of CeAu2Ge2 single crystals grown from Au-Ge (AGF) or;Sn flux (SF) was measured at temperatures T between 1.8 and 200 K. Two;magnetic transitions are observed in the zero-field specific heat at;12.1 and 14.5 K in the AGF sample, while only a single sharp transition;at 9.2 K is seen in the SF sample, confirming our recent susceptibility;results [Fritsch et al., Phys. Rev. B 84, 104446 (2011)]. We observe;several field-induced transitions in the magnetoresistance of the AGF;sample measured at 1.6 and 2.3 K in accordance with the B-T phase;diagram constructed from isothermal magnetization curves M(B). In;addition, we have measured M(B) under hydrostatic pressure P up to 10.5;kbar. The Neel temperature T-N increases linearly with P at a small rate;of 0.049 K/kbar, which suggests that, if T-N(P) is attributed to a pure;volume effect, this compound is close to the maximum transition;temperature of the Doniach diagram. The transition fields B-M between;the field-induced phases increase linearly with P as well. The;comparable Gruneisen parameters of T-N and B-M indicate that the energy;scale depending on the sample's volume is given by the antiferromagnetic;correlations and not by the Kondo effect. We discuss possible reasons;for the different magnetic behavior of AGF and SF samples.;Huang, Chien-Lung/O-2028-2013;2;0;0;0;2;1098-0121;WOS:000311805500003;;;J;Jadczak, J.;Kubisa, M.;Ryczko, K.;Bryja, L.;Potemski, M.;High magnetic field spin splitting of excitons in asymmetric GaAs;quantum wells;PHYSICAL REVIEW B;86;24;245401;10.1103/PhysRevB.86.245401;DEC 3 2012;2012;Low-temperature photoluminescence from high-quality GaAs quantum wells,;asymmetrically doped with carbon, are investigated under high magnetic;fields (up to 20 T) directed along the [001] growth axis. At higher;fields, in the sigma(-) polarized emission, we observe two well-resolved;lines which are attributed to the recombination of neutral (X) and;charged (X+) excitons. In contrast, only the neutral exciton line is;observed for the sigma(+) polarization. From the difference of the X;line positions for the two polarizations we determine the effective;Zeeman splitting of neutral excitons and then the g factor g(h) of;confined holes. We find that g(h) depends substantially on the well size;and changes the sign at moderate magnetic fields. To explain the;experimental results, the valence Landau levels are calculated using the;Luttinger model beyond the axial approximation. We demonstrate that;mainly the excited hole levels contribute to the excitonic state at;higher magnetic fields. Due to their light-hole character, resulting;from the valence-band mixing, the excited hole states have a sizable;overlap with the electron states confined far from the doped barrier.;The calculated values of g(h) are in an excellent quantitative agreement;with the experimental data.;2;0;0;0;2;1098-0121;WOS:000311806500001;;;J;Lane, Nina J.;Vogel, Sven C.;Hug, Gilles;Togo, Atsushi;Chaput, Laurent;Hultman, Lars;Barsoum, Michel W.;Neutron diffraction measurements and first-principles study of thermal;motion of atoms in select M(n+1)AX(n) and binary MX transition-metal;carbide phases;PHYSICAL REVIEW B;86;21;214301;10.1103/PhysRevB.86.214301;DEC 3 2012;2012;Herein, we compare the thermal vibrations of atoms in select ternary;carbides with the formula M(n+1)AX(n) ("MAX phases," M = Ti, Cr; A = Al,;Si, Ge; X = C, N) as determined from first-principles phonon;calculations to those obtained from high-temperature neutron powder;diffraction studies. The transition metal carbides TiC, TaC, and WC are;also studied to test our methodology on simpler carbides. Good;qualitative and quantitative agreement is found between predicted and;experimental values for the binary carbides. For all the MAX phases;studied-Ti3SiC2, Ti3GeC2, Ti2AlN, Cr2GeC and Ti4AlN3-density functional;theory calculations predict that the A element vibrates with the highest;amplitude and does so anisotropically with a higher amplitude within the;basal plane, which is in line with earlier results from high-temperature;neutron diffraction studies. In some cases, there are quantitative;differences in the absolute values between the theoretical and;experimental atomic displacement parameters (ADPs), such as reversal of;anisotropy or a systematic offset of temperature-dependent ADPs. The;mode-dependent Gruneisen parameters are also computed to explore the;anharmonicity in the system.;Lujan Center, LANL/G-4896-2012;4;0;0;0;4;1098-0121;WOS:000311805500002;;;J;Niemann, R.;Baro, J.;Heczko, O.;Schultz, L.;Faehler, S.;Vives, E.;Manosa, L.;Planes, A.;Tuning avalanche criticality: Acoustic emission during the martensitic;transformation of a compressed Ni-Mn-Ga single crystal;PHYSICAL REVIEW B;86;21;214101;10.1103/PhysRevB.86.214101;DEC 3 2012;2012;The propagation of a phase front during a thermally induced martensitic;transition is discontinuous due to pinning at various defects, an effect;which results in acoustic emission. Here we analyze the consequences of;an applied compressive stress exemplarily on a Ni50.4Mn27.9Ga21.7 single;crystal. Our experiments show that the distribution of the energies of;the acoustic emission events follows a power law for more than three;decades. This indicates that the transition exhibits avalanche;criticality. The exponent characterizing the distribution of energies;depends on the applied stress, and decreases from 1.9 +/- 0.1 at zero;stress to 1.5 +/- 0.2 at stress above 3 MPa. This decrease could be;attributed to the reduced multiplicity of variants possible under;uniaxial compression.;Niemann, Robert/F-3634-2012; Schultz, Ludwig/B-3383-2010; Manosa, Lluis/D-8579-2014; Heczko, Oleg/G-9355-2014; Vives, Eduard/I-4821-2014;Manosa, Lluis/0000-0002-1182-2670; Vives, Eduard/0000-0002-5916-7214;4;0;0;0;4;1098-0121;WOS:000311805500001;;;J;Usui, Hidetomo;Suzuki, Katsuhiro;Kuroki, Kazuhiko;Minimal electronic models for superconducting BiS2 layers;PHYSICAL REVIEW B;86;22;220501;10.1103/PhysRevB.86.220501;DEC 3 2012;2012;We construct minimal electronic models for a newly discovered;superconductor LaO1-xFxBiS2 (T-c = 10.6 K) possessing BiS2 layers based;on a first-principles band calculation. First, we obtain a model;consisting of two Bi 6p and two S 3p orbitals, which give nearly;electron-hole symmetric bands. Further focusing on the bands that;intersect the Fermi level, we obtain a model with two p orbitals. The;two bands (per BiS2 layer) have a quasi-one-dimensional character with a;double minimum dispersion, which gives good nesting of the Fermi;surface. At around x similar to 0.5 the topology of the Fermi surface;changes, so that the density of states at the Fermi level becomes large.;Possible pairing states are discussed.;42;0;0;0;42;1098-0121;WOS:000311805700001;;;J;Cammarata, Antonio;Rondinelli, James M.;Spin-assisted covalent bond mechanism in "charge-ordering" perovskite;oxides;PHYSICAL REVIEW B;86;19;195144;10.1103/PhysRevB.86.195144;NOV 30 2012;2012;First-principles density functional calculations on the metal-insulator;transition (MIT) in perovskite CaFeO3 point to local ferromagnetic;coupling as the microscopic origin for the electronic "charge order";transition. Our atomic, electronic, and magnetic structure analyses;reveal that the MIT results from a spin-assisted covalent bonding;mechanism between the O 2p and Fe 3d states with anisotropic Fe-O bonds;and negligible intersite Fe-Fe charge transfer. We suggest that control;of the lattice distortions, which mediate the covalent bond formation,;in oxides containing late transition-metal row cations in high valence;states provides a platform to tailor electronic transitions.;Rondinelli, James/A-2071-2009; Cammarata, Antonio/A-4883-2014;Rondinelli, James/0000-0003-0508-2175; Cammarata,;Antonio/0000-0002-5691-0682;7;0;0;0;7;1098-0121;WOS:000311715000003;;;J;Clem, John R.;Kogan, V. G.;Kinetic impedance and depairing in thin and narrow superconducting films;PHYSICAL REVIEW B;86;17;174521;10.1103/PhysRevB.86.174521;NOV 30 2012;2012;We use both Eilenberger-Usadel and Ginzburg-Landau (GL) theory to;calculate the superfluid's temperature-dependent kinetic inductance for;all currents up to the depairing current in thin and narrow;superconducting films. The calculations apply to BCS weak-coupling;superconductors with isotropic gaps and transport mean-free paths much;less than the BCS coherence length. The kinetic inductance is calculated;for the response to a small alternating current when the film is;carrying a dc bias current. In the slow-experiment/fast-relaxation;limit, in which the superconducting order parameter quasistatically;follows the time-dependent current, the kinetic inductance diverges as;the bias current approaches the depairing value. However, in the;fast-experiment/slow-relaxiation limit, in which the the superconducting;order parameter remains fixed at a value corresponding to the dc bias;current, the kinetic inductance rises to a finite value at the depairing;current. We then use time-dependent GL theory to calculate the kinetic;impedance of the superfluid, which includes not only the kinetic;reactance, but also the kinetic resistance of the superfluid arising;from dissipation due to order-parameter relaxation. The kinetic;resistance is largest for angular frequencies omega obeying omega tau(s);> 1, where tau(s) is the order-parameter relaxation time, and for bias;currents close to the depairing current. We also include the normal;fluid's contribution to dissipation in deriving an expression for the;total kinetic impedance. The Appendices contain many details about the;temperature-dependent behavior of superconductors carrying current up to;the depairing value.;3;0;0;0;3;1098-0121;WOS:000311714600005;;;J;Cohn, J. L.;Boynton, P.;Trivino, J. S.;Trastoy, J.;White, B. D.;dos Santos, C. A. M.;Neumeier, J. J.;Stoichiometry, structure, and transport in the quasi-one-dimensional;metal Li0.9Mo6O17;PHYSICAL REVIEW B;86;19;195143;10.1103/PhysRevB.86.195143;NOV 30 2012;2012;A correlation between lattice parameters, oxygen composition, and the;thermoelectric and Hall coefficients is presented for single-crystal;Li0.9Mo6O17, a quasi-one-dimensional (Q1D) metallic compound. The;possibility that this compound is a compensated metal is discussed in;light of a substantial variability observed in the literature for these;transport coefficients.;1;0;0;0;1;1098-0121;WOS:000311715000002;;;J;Crepaldi, A.;Ressel, B.;Cilento, F.;Zacchigna, M.;Grazioli, C.;Berger, H.;Bugnon, Ph.;Kern, K.;Grioni, M.;Parmigiani, F.;Ultrafast photodoping and effective Fermi-Dirac distribution of the;Dirac particles in Bi2Se3;PHYSICAL REVIEW B;86;20;205133;10.1103/PhysRevB.86.205133;NOV 30 2012;2012;We exploit time- and angle-resolved photoemission spectroscopy to;determine the evolution of the out-of-equilibrium electronic structure;of the topological insulator Bi2Se3. The response of the Fermi-Dirac;distribution to ultrashort IR laser pulses has been studied by modeling;the dynamics of hot electrons after optical excitation. We disentangle a;large increase in the effective temperature (T*) from a shift of the;chemical potential (mu*), which is consequence of the ultrafast;photodoping of the conduction band. The relaxation dynamics of T* and;mu* are k independent and these two quantities uniquely define the;evolution of the excited charge population. We observe that the energy;dependence of the nonequilibrium charge population is solely determined;by the analytical form of the effective Fermi-Dirac distribution.;14;1;0;0;14;1098-0121;WOS:000311715100007;;;J;Dumlich, Heiko;Reich, Stephanie;Nanotube bundles and tube-tube orientation: A van der Waals density;functional study (vol 84, 064121, 2011);PHYSICAL REVIEW B;86;17;179905;10.1103/PhysRevB.86.179905;NOV 30 2012;2012;0;0;0;0;0;1098-0121;WOS:000311714600007;;;J;Fukutani, Keisuke;Hayashi, Hirokazu;Yakovkin, Ivan N.;Habuchi, Takafumi;Hirayama, Daisuke;Jiang, Jian;Iwasawa, Hideaki;Shimada, Kenya;Losovyj, Ya. B.;Dowben, Peter A.;Enhanced electron-phonon coupling at the Au/Mo(112) surface;PHYSICAL REVIEW B;86;20;205432;10.1103/PhysRevB.86.205432;NOV 30 2012;2012;A detailed investigation of the electronic structure and electron-phonon;coupling for a Au monolayer on the Mo(112) surface is presented. The;electronic states of bulk Mo and the (112) surface-derived states are;seen to strongly hybridize with those of the Au overlayer, resulting in;the formation of surface resonance states localized near the surface and;the interface of Au/Mo(112). The experimentally extracted self-energy;due to the electron-phonon coupling on one of the surface resonance;bands gives a good quantitative agreement with the calculations. The;strength of electron-phonon coupling for Au/Mo(112) is discussed in;terms of the mass enhancement factor and is considerably larger than for;the Mo(112) surface. Such an increase in the mass enhancement factor in;the vicinity of the Fermi level likely derives from the soft surface;phonon modes created upon Au adsorption.;2;0;0;0;2;1098-0121;WOS:000311715100011;;;J;Hamada, Ikutaro;Adsorption of water on graphene: A van der Waals density functional;study;PHYSICAL REVIEW B;86;19;195436;10.1103/PhysRevB.86.195436;NOV 30 2012;2012;The van der Waals density functional (vdW-DF) was used to investigate;the interaction of a water monomer with graphene. It was found that a;variant of vdW-DF [Hamada and Otani, Phys. Rev. B 82, 153412 (2010)];predicts geometries and energetics of water on graphene which are in;good agreement with those obtained using more elaborate random-phase;approximation and quantum Monte Carlo approaches. Interfacial electronic;structures were also analyzed in detail.;Hamada, Ikutaro/E-8040-2010;Hamada, Ikutaro/0000-0001-5112-2452;12;1;0;0;12;1098-0121;WOS:000311715000010;;;J;Hofmann, D.;Kuemmel, S.;Integer particle preference during charge transfer in Kohn-Sham theory;PHYSICAL REVIEW B;86;20;201109;10.1103/PhysRevB.86.201109;NOV 30 2012;2012;We investigate the static and dynamic charge transfer that is triggered;by external electric fields in model molecular wires. A self-interaction;correction in Kohn-Sham density functional theory leads to the desired;integer electron transfers that do not occur with standard functionals;which miss Coulomb blockade effects. Analysis of the multiplicative;exchange-correlation potential in stationary cases and during real-time;propagation shows how the local exchange-correlation potential builds up;step and reverse-step structures that enforce the integer particle;preference. The role of spin-symmetry breaking is discussed.;Kummel, Stephan/K-5634-2014;8;0;0;0;8;1098-0121;WOS:000311715100002;;;J;Illg, Christian;Meyer, Bernd;Faehnle, Manfred;Frequencies and polarization vectors of phonons: Results from force;constants which are fitted to experimental data or calculated ab initio;PHYSICAL REVIEW B;86;17;174309;10.1103/PhysRevB.86.174309;NOV 30 2012;2012;The properties of phonons may be calculated from the dynamical matrix;which is determined by force constants. Often the force constants are;obtained by fitting them to experimental phonon frequencies, e. g., for;wave vectors q on high-symmetry directions of the Brillouin zone. It is;well known that these force constants do not necessarily lead to correct;frequencies for wave vectors for nonsymmetrical q and to correct;polarization vectors. In the present paper this is demonstrated by;comparing for fcc Ni, fcc Al, and bcc Fe the frequencies and;polarization vectors calculated from fitted force constants with the;results from ab initio calculated force constants. However, for most;regions of the Brillouin zone the differences between the results;obtained from the two sets of force constants are not large.;1;0;0;0;1;1098-0121;WOS:000311714600003;;;J;Iori, Federico;Rodolakis, Fanny;Gatti, Matteo;Reining, Lucia;Upton, M.;Shvyd'ko, Y.;Rueff, Jean-Pascal;Marsi, Marino;Low-energy excitations in strongly correlated materials: A theoretical;and experimental study of the dynamic structure factor in V2O3;PHYSICAL REVIEW B;86;20;205132;10.1103/PhysRevB.86.205132;NOV 30 2012;2012;This work contains an experimental and theoretical study of the dynamic;structure factor at large momentum transfer vertical bar Q vertical bar;similar to 4 angstrom(-1) of the strongly correlated transition-metal;oxide V2O3. We focus in particular on the transitions between d states;that give rise to the spectra below 6 eV. We show that the main peak in;this energy range is mainly due to t(2g) -> e(g)(sigma) transitions, and;that it carries a signature of the phase transition between the;paramagnetic insulator and the paramagnetic metal that can already be;understood from the joint density of states calculated at the level of;the static local density approximation. Instead, in order to obtain;theoretical spectra that are overall similar to the measured ones, we;have to go beyond the static approximation and include at least crystal;local field effects. The latter turn out to be crucial in order to;eliminate a spurious peak and hence allow a safe comparison between;theory and experiment, including an analysis of the strong anisotropy of;the spectra.;CSIC-UPV/EHU, CFM/F-4867-2012; Iori, Federico/E-5372-2013; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Iori, Federico/0000-0002-7677-3435;;4;0;0;0;4;1098-0121;WOS:000311715100006;;;J;Kharitonov, Maxim;Antiferromagnetic state in bilayer graphene;PHYSICAL REVIEW B;86;19;195435;10.1103/PhysRevB.86.195435;NOV 30 2012;2012;Motivated by the recent experiment of Velasco Jr. et al. [J. Velasco Jr.;et al., Nat. Nanotechnology 7, 156 (2012)], we develop a mean-field;theory of the interaction-induced antiferromagnetic (AF) state in;bilayer graphene at charge neutrality point at arbitrary perpendicular;magnetic field B. We demonstrate that the AF state can persist at all B.;At higher B, the state continuously crosses over to the AF phase of the;nu = 0 quantum Hall ferromagnet, recently argued to be realized in the;insulating nu = 0 state. The mean-field quasiparticle gap is finite at B;= 0 and grows with increasing B, becoming quasilinear in the quantum;Hall regime, in accord with the reported behavior of the transport gap.;By adjusting the two free parameters of the model, we obtain a;simultaneous quantitative agreement between the experimental and;theoretical values of the key parameters of the gap dependence-its;zero-field value and slope at higher fields. Our findings suggest that;the insulating state observed in bilayer graphene in Ref. 1 is;antiferromagnetic (canted, once the Zeeman effect is taken into account);at all magnetic fields.;19;1;0;0;19;1098-0121;WOS:000311715000009;;;J;Klos, J. W.;Kumar, D.;Romero-Vivas, J.;Fangohr, H.;Franchin, M.;Krawczyk, M.;Barman, A.;Effect of magnetization pinning on the spectrum of spin waves in;magnonic antidot waveguides;PHYSICAL REVIEW B;86;18;184433;10.1103/PhysRevB.86.184433;NOV 30 2012;2012;We study the spin-wave spectra in magnonic antidot waveguides (MAWs) for;two limiting cases (strong and negligible) of the surface anisotropy at;the ferromagnet/air interface. The MAWs under investigation have the;form of a thin stripe of permalloy with a single row of periodically;arranged antidots in the middle. The introduction of a magnetization;pinning at the edges of the permalloy stripe and the edges of antidots;is found to modify the spin-wave spectrum. This effect is shown to be;necessary for magnonic gaps to open in the considered systems. Our study;demonstrates that the surface anisotropy can be crucial in the practical;applications of MAWs and related structures and in the interpretation of;experimental results in one-and two-dimensional magnonic crystals. We;used three different numerical methods, i.e., plane waves method (PWM),;finite difference method, and finite element method to validate the;results. We showed that PWM in the present formulation assumes pinned;magnetization, while in micromagnetic simulations special care must be;taken to introduce pinning.;Fangohr, Hans/C-6367-2008; Klos, Jaroslaw/G-9728-2012;Fangohr, Hans/0000-0001-5494-7193; Klos, Jaroslaw/0000-0002-5858-2950;13;2;0;0;13;1098-0121;WOS:000311714700002;;;J;Kolata, K.;Koester, N. S.;Chernikov, A.;Drexler, M. J.;Gatti, E.;Cecci, S.;Chrastina, D.;Isella, G.;Guzzi, M.;Chatterjee, S.;Dephasing in Ge/SiGe quantum wells measured by means of coherent;oscillations;PHYSICAL REVIEW B;86;20;201303;10.1103/PhysRevB.86.201303;NOV 30 2012;2012;We present a dephasing time analysis of the excitonic resonances in;Ge/SiGe quantum wells for various lattice temperatures by coherent;oscillation spectroscopy (COS). The results are compared to the;linewidths of the excitonic resonances determined from linear absorption;measurements. Additionally, COS is applied to different samples with;varying linewidth, identifying one sample with a dominating;homogeneously broadened 1s excitonic resonance down to 7 K.;Chatterjee, Sangam/E-3124-2012;2;0;0;0;2;1098-0121;WOS:000311715100003;;;J;Lang, Li-Jun;Chen, Shu;Majorana fermions in density-modulated p-wave superconducting wires;PHYSICAL REVIEW B;86;20;205135;10.1103/PhysRevB.86.205135;NOV 30 2012;2012;We study the p-wave superconducting wire with a periodically modulated;chemical potential and show that the Majorana edge states are robust;against the periodic modulation. We find that the critical amplitude of;modulated potential, at which the Majorana edge fermions and topological;phase disappear, strongly depends on the phase shifts. For some specific;values of the phase shift, the critical amplitude tends to infinity. The;existence of Majorana edge fermions in the open chain can be;characterized by a topological Z(2) invariant of the bulk system, which;can be applied to determine the phase boundary between the topologically;trivial and nontrivial superconducting phases. We also demonstrate the;existence of the zero-energy peak in the spectral function of the;topological superconducting phase, which is only sensitive to the open;boundary condition but robust against the disorder.;Lang, Li-Jun/C-2815-2014;Lang, Li-Jun/0000-0001-6038-8340;11;0;0;0;11;1098-0121;WOS:000311715100009;;;J;Lazicki, Amy;Dewaele, Agnes;Loubeyre, Paul;Mezouar, Mohamed;High-pressure-temperature phase diagram and the equation of state of;beryllium;PHYSICAL REVIEW B;86;17;174118;10.1103/PhysRevB.86.174118;NOV 30 2012;2012;X-ray diffraction of beryllium in a laser-heated diamond anvil cell;provides experimental insight into its behavior at high pressure and;temperature. We measure the cold compression of Be in helium and NaCl;pressure media up 192 GPa, and its thermal expansion up to 82 GPa and;2630 K. The new measurements form a P-V-T data set which is fit by the;Vinet-Debye form to establish a Be experimental equation of state. We;compare the results to several theoretical models. The crystal structure;of Be is determined up to 205 GPa and 4000 K; no evidence for the;predicted high-temperature transition to a cubic phase is found.;Finally, the maximum temperature stability of the solid phase along;isobaric heating ramps gives a lower bound for the melting curve.;5;0;0;0;5;1098-0121;WOS:000311714600002;;;J;Li, J.;Ekuma, C. E.;Vekhter, I.;Jarrell, M.;Moreno, J.;Stadler, S.;Karki, A. B.;Jin, R.;Physical properties of Ba2Mn2Sb2O single crystals;PHYSICAL REVIEW B;86;19;195142;10.1103/PhysRevB.86.195142;NOV 30 2012;2012;We report both experimental and theoretical investigations of the;physical properties of Ba2Mn2Sb2O single crystals. This material;exhibits a hexagonal structure with lattice constants a = 4.7029(15) A;and c = 19.9401(27) A, as obtained from powder x-ray diffraction;measurements, and in agreement with structural optimization through;density functional theory (DFT) calculations. The magnetic;susceptibility and specific heat show anomalies at T-N = 60 K,;consistent with antiferromagnetic ordering. However, the magnitude of;T-N is significantly smaller than the Curie-Weiss temperature (vertical;bar Theta(CW)vertical bar approximate to 560 K), suggesting a magnetic;system of reduced dimensionality. The temperature dependence of both the;in-plane and out-of-plane resistivity changes from activated at T > T-x;similar to 200 K to logarithmic at T < T-x. Correspondingly, the;magnetic susceptibility displays a bump at T-x. DFT calculations at the;DFT + U level support the experimental observation of an;antiferromagnetic ground state.;Vekhter, Ilya/M-1780-2013; Moreno, Juana/D-5882-2012;0;0;0;0;0;1098-0121;WOS:000311715000001;;;J;Mafra, D. L.;Kong, J.;Sato, K.;Saito, R.;Dresselhaus, M. S.;Araujo, P. T.;Using gate-modulated Raman scattering and electron-phonon interactions;to probe single-layer graphene: A different approach to assign phonon;combination modes;PHYSICAL REVIEW B;86;19;195434;10.1103/PhysRevB.86.195434;NOV 30 2012;2012;Gate-modulated and laser-dependent Raman spectroscopy have been widely;used to study q = 0 zone center phonon modes, their self-energy, and;their coupling to electrons in graphene systems. In this work we use;gate-modulated Raman of q not equal 0 phonons as a technique to;understand the nature of five second-order Raman combination modes;observed in the frequency range of 1700-2300 cm(-1) of single-layer;graphene (SLG). Anomalous phonon self-energy renormalization phenomena;are observed in all five combination modes within this intermediate;frequency region, which can clearly be distinguished from one another.;By combining the anomalous phonon renormalization effect with the double;resonance Raman theory, which includes both phonon dispersion relations;and angular dependence of the electron-phonon scattering matrix;elements, and by comparing it to the experimentally obtained phonon;dispersion, measured by using different laser excitation energies, we;can assign each Raman peak to the proper phonon combination mode. This;approach should also shed light on the understanding of more complex;structures such as few-layer graphene (FLG) and its stacking orders as;well as other two-dimensional (2D)-like materials.;Sato, Kentaro/B-7163-2008; Saito, Riichiro/B-1132-2008;Sato, Kentaro/0000-0001-6706-2175;;5;2;1;0;5;1098-0121;WOS:000311715000008;;;J;Mazza, Giacomo;Fabrizio, Michele;Dynamical quantum phase transitions and broken-symmetry edges in the;many-body eigenvalue spectrum;PHYSICAL REVIEW B;86;18;184303;10.1103/PhysRevB.86.184303;NOV 30 2012;2012;Many-body models undergoing a quantum phase transition to a;broken-symmetry phase that survives up to a critical temperature must;possess, in the ordered phase, symmetric as well as nonsymmetric;eigenstates. We predict, and explicitly show in the fully connected;Ising model in a transverse field, that these two classes of eigenstates;do not overlap in energy, and therefore that an energy edge exists;separating low-energy symmetry-breaking eigenstates from high-energy;symmetry-invariant ones. This energy is actually responsible, as we;show, for the dynamical phase transition displayed by this model under a;sudden large increase of the transverse field. A second situation we;consider is the opposite, where the symmetry-breaking eigenstates are;those in the high-energy sector of the spectrum, whereas the low-energy;eigenstates are symmetric. In that case too a special energy must exist;marking the boundary and leading to unexpected out-of-equilibrium;dynamical behavior. An example is the fermonic repulsive Hubbard model;Hamiltonian H. Exploiting the trivial fact that the high-energy spectrum;of H is also the low-energy one of -H, we conclude that the high-energy;eigenstates of the Hubbard model are superfluid. Simulating in a;time-dependent Gutzwiller approximation the time evolution of a;high-energy BCS-like trial wave function, we show that a small;superconducting order parameter will actually grow in spite of the;repulsive nature of the interaction.;fabrizio, michele/N-3762-2014;2;0;0;0;2;1098-0121;WOS:000311714700001;;;J;Mueller, T.;Aharonovich, I.;Wang, Z.;Yuan, X.;Castelletto, S.;Prawer, S.;Atatuere, M.;Phonon-induced dephasing of chromium color centers in diamond;PHYSICAL REVIEW B;86;19;195210;10.1103/PhysRevB.86.195210;NOV 30 2012;2012;We report on the coherence properties of single photons from;chromium-based color centers in diamond. We use field-correlation and;spectral line-shape measurements to reveal the interplay between slow;spectral wandering and fast dephasing mechanisms as a function of;temperature. The zero-phonon transition frequency and its linewidth;follow a power-law dependence on temperature, which is consistent with;direct electron-phonon coupling and phonon-modulated Coulomb coupling to;nearby impurities, which are the predominant fast dephasing mechanisms;for these centers. Further, the observed reduction in the quantum yield;for photon emission as a function of temperature suggests the opening of;additional nonradiative channels through thermal activation to;higher-energy states and indicates a near-unity quantum efficiency at 4;K.;castelletto, stefania/G-1516-2011; McKenzie, Warren/J-2137-2014;3;0;0;0;3;1098-0121;WOS:000311715000007;;;J;Murthy, Ganpathy;Shankar, R.;Hamiltonian theory of fractionally filled Chern bands;PHYSICAL REVIEW B;86;19;195146;10.1103/PhysRevB.86.195146;NOV 30 2012;2012;There is convincing numerical evidence that fractional quantum-Hall-like;ground states arise in fractionally filled Chern bands. Here, we show;that the Hamiltonian theory of composite fermions (CF) can be as useful;in describing these states as it was in describing the fractional;quantum Hall effect (FQHE) in the continuum. We are able to introduce;CFs into the fractionally filled Chern-band problem in two stages.;First, we construct an algebraically exact mapping which expresses the;electron density projected to the Chern band rho(FCB) as a sum of;Girvin-MacDonald-Platzman density operators rho(GMP) that obey the;magnetic translation algebra. Next, following our Hamiltonian treatment;of the FQH problem, we rewrite the operators rho(GMP) in terms of CF;variables which reproduce the same algebra. This naturally produces a;unique Hartree-Fock ground state for the CFs, which can be used as a;springboard for computing gaps, response functions,;temperature-dependent phenomena, and the influence of disorder. We give;two concrete examples, one of which has no analog in the continuum FQHE;with nu = 1/5 and sigma(xy) = 2/5. Our approach can be easily extended;to fractionally filled, strongly interacting two-dimensional;time-reversal-invariant topological insulators.;15;0;0;0;15;1098-0121;WOS:000311715000005;;;J;Ovsyannikov, Sergey V.;Morozova, Natalia V.;Karkin, Alexander E.;Shchennikov, Vladimir V.;High-pressure cycling of hematite alpha-Fe2O3: Nanostructuring, in situ;electronic transport, and possible charge disproportionation;PHYSICAL REVIEW B;86;20;205131;10.1103/PhysRevB.86.205131;NOV 30 2012;2012;We studied electronic transport properties of hematite (alpha-Fe2O3) at;room temperature under cycling of high pressure up to similar to 22 GPa.;The original samples and those recovered after high-pressure experiments;were examined by x-ray diffraction and Raman and optical absorption;spectroscopy. At ambient pressure the original samples were also;characterized by temperature measurements of electrical and;galvanomagnetic properties. Upon compression, the original single;crystals underwent a sluggish structural deconfinement starting above 5;GPa into a nanometric state. Above 5-7 GPa, the nanostructured hematite;showed a reversible transition to a state with enhanced electrical;conductivity and moderate values of thermoelectric power (Seebeck;effect) of about -150 mu V/K. This electronic phase corresponds to;neither conventional trivalent oxidation state of the iron ions in;hematite nor metallic conductivity. Analysis of the electronic transport;data in the frameworks of two models, of polaron hopping, and of;intrinsic semiconductor conductivity, revealed a change from the;electron conductivity to two-band electrical conductivity and suggested;that the observed enhancement of the electrical properties in;nanocrystalline alpha-Fe2O3 above 5-7 GPa is related to the;mixed-valence state of the iron ions. Since alpha-Fe2O3 is believed to;undergo a "spin-flop" (Morin) transition near 2-5 GPa at room;temperature, we discuss potential contributions of magnetoelastic and;other effects to the observed high-pressure properties of hematite.;Ovsyannikov, Sergey/J-7802-2012; Morozova, Natalia/J-3568-2013; Karkin, Alexander/J-6712-2013; Shchennikov, Vladimir/J-8533-2013;Morozova, Natalia/0000-0002-2377-1372; Karkin,;Alexander/0000-0003-0464-4762; Shchennikov, Vladimir/0000-0003-2887-1652;4;0;0;0;4;1098-0121;WOS:000311715100005;;;J;Pielawa, Susanne;Berg, Erez;Sachdev, Subir;Frustrated quantum Ising spins simulated by spinless bosons in a tilted;lattice: From a quantum liquid to antiferromagnetic order;PHYSICAL REVIEW B;86;18;184435;10.1103/PhysRevB.86.184435;NOV 30 2012;2012;We study spinless bosons in a decorated square lattice with a;near-diagonal tilt. The resonant subspace of the tilted Mott insulator;is described by an effective Hamiltonian of frustrated quantum Ising;spins on a nonbipartite lattice. This generalizes an earlier proposal;for the unfrustrated quantum Ising model in one dimension which was;realized in a recent experiment on ultracold Rb-87 atoms in an optical;lattice. Very close to diagonal tilt, we find a quantum liquid state;which is continuously connected to the paramagnet. Frustration can be;reduced by increasing the tilt angle away from the diagonal, and the;system undergoes a transition to an antiferromagnetically ordered state.;Using quantum Monte Carlo simulations and exact diagonalization, we find;that for realistic system sizes the antiferromagnetic order appears to;be quasi-one-dimensional, however, in the thermodynamic limit the order;is two-dimensional.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;1;0;0;0;1;1098-0121;WOS:000311714700004;;;J;Popov, V. V.;Polischuk, O. V.;Davoyan, A. R.;Ryzhii, V.;Otsuji, T.;Shur, M. S.;Plasmonic terahertz lasing in an array of graphene nanocavities;PHYSICAL REVIEW B;86;19;195437;10.1103/PhysRevB.86.195437;NOV 30 2012;2012;We propose a novel concept of terahertz lasing based on stimulated;generation of plasmons in a planar array of graphene resonant;micro/nanocavities strongly coupled to terahertz radiation. Due to the;strong plasmon confinement and superradiant nature of terahertz emission;by the array of plasmonic nanocavities, the amplification of terahertz;waves is enhanced by many orders of magnitude at the plasmon resonance;frequencies. We show that the lasing regime is ensured by the balance;between the plasmon gain and plasmon radiative damping.;Davoyan, Artur/K-8567-2013;Davoyan, Artur/0000-0002-4662-1158;15;0;0;0;15;1098-0121;WOS:000311715000011;;;J;Romanov, Sergei G.;Vogel, Nicolas;Bley, Karina;Landfester, Katharina;Weiss, Clemens K.;Orlov, Sergej;Korovin, Alexander V.;Chuiko, Gennady P.;Regensburger, Alois;Romanova, Alexandra S.;Kriesch, Arian;Peschel, Ulf;Probing guided modes in a monolayer colloidal crystal on a flat metal;film;PHYSICAL REVIEW B;86;19;195145;10.1103/PhysRevB.86.195145;NOV 30 2012;2012;Two-dimensional slab hybrid metal-dielectric photonic crystals, which;are prepared by assembling polymer colloidal spheres into closely packed;monolayers of hexagonal symmetry on a gold-coated glass substrate, show;an improved confinement of light compared with a colloidal monolayer on;a glass substrate. We demonstrated that the optical response of such;hybrid crystals consists of diffractively coupled waveguiding modes,;Fabry-Perot resonances, and Mie resonances. Correspondingly, two major;mechanisms, namely, band transport and hopping of localized excitations,;participate in the in-plane light transport in such hybrid crystals.;Weiss, Clemens/C-9932-2009; Peschel, Ulf/C-3356-2013; Romanov, Sergei/H-6868-2013; Kriesch, Arian/A-7337-2011;Weiss, Clemens/0000-0001-8559-0385; Romanov, Sergei/0000-0003-0546-9505;;Kriesch, Arian/0000-0002-8347-0344;6;1;0;0;6;1098-0121;WOS:000311715000004;;;J;Schoop, Leslie;Muechler, Lukas;Schmitt, Jennifer;Ksenofontov, Vadim;Medvedev, Sergey;Nuss, Juergen;Casper, Frederick;Jansen, Martin;Cava, R. J.;Felser, Claudia;Effect of pressure on superconductivity in NaAlSi;PHYSICAL REVIEW B;86;17;174522;10.1103/PhysRevB.86.174522;NOV 30 2012;2012;The ternary superconductor NaAlSi, isostructural with LiFeAs, the "111";iron pnictide superconductor, is investigated under pressure. The;structure remains stable up to 15 GPa. Resistivity and susceptibility;measurements show an increase of T-c up to 2 GPa, followed by a decrease;until superconductivity disappears at 4.8 GPa. Band structure;calculations show that pressure should have a negligible effect on the;electronic structure and the Fermi surface and thus the disappearance of;superconductivity under pressure must have a different origin. We;compare the electronic structure of NaAlSi under pressure with that of;nonsuperconducting isostructural NaAlGe.;Felser, Claudia/A-5779-2009; Casper, Frederick/A-5782-2009; Nuss, Juergen/G-2711-2010; Muchler, Lukas/A-4628-2013; Schoop, Leslie/A-4627-2013;Nuss, Juergen/0000-0002-0679-0184; Schoop, Leslie/0000-0003-3459-4241;1;0;0;0;1;1098-0121;WOS:000311714600006;;;J;Schwier, E. F.;Scherwitzl, R.;Vydrova, Z.;Garcia-Fernandez, M.;Gibert, M.;Zubko, P.;Garnier, M. G.;Triscone, J. -M.;Aebi, P.;Unusual temperature dependence of the spectral weight near the Fermi;level of NdNiO3 thin films;PHYSICAL REVIEW B;86;19;195147;10.1103/PhysRevB.86.195147;NOV 30 2012;2012;We investigate the behavior of the spectral weight near the Fermi level;of NdNiO3 thin films as a function of temperature across the;metal-to-insulator transition (MIT) by means of ultraviolet;photoelectron spectroscopy. The spectral weight was found to exhibit;thermal hysteresis, similar to that of the dc conductivity. A detailed;analysis of the temperature dependence reveals two distinct regimes of;spectral loss close to the Fermi level. The temperature evolution of one;regime is found to be independent of the MIT.;Garcia-Fernandez, Mirian/B-6018-2013; Zubko, Pavlo/B-5496-2009;Zubko, Pavlo/0000-0002-7330-3163;2;0;0;0;2;1098-0121;WOS:000311715000006;;;J;Sen, Arnab;Damle, Kedar;Moessner, R.;Vacancy-induced spin textures and their interactions in a classical spin;liquid;PHYSICAL REVIEW B;86;20;205134;10.1103/PhysRevB.86.205134;NOV 30 2012;2012;Motivated by experiments on the archetypal frustrated magnet;SrCr9pGa12-9pO19 (SCGO), we study the classical Heisenberg model on the;pyrochlore slab (kagome bilayer) lattice with site dilution x = 1 - p.;This allows us to address generic aspects of the physics of nonmagnetic;vacancies in a classical spin liquid. We explicitly demonstrate that the;pure (x = 0) system remains a spin liquid down to the lowest;temperatures, with an unusual nonmonotonic temperature dependence of the;susceptibility, which even turns diamagnetic for the apical spins;between the two kagome layers. For x > 0 but small, the low-temperature;magnetic response of the system is most naturally described in terms of;the properties of spatially extended spin textures that cloak an;"orphan" S = 3/2 Cr3+ spin in direct proximity to a pair of missing;sites belonging to the same triangular simplex. In the T -> 0 limit,;these orphan-texture complexes each carry a net magnetization that is;exactly half the magnetic moment of an individual spin of the undiluted;system. Furthermore, we demonstrate that they interact via an entropic;temperature-dependent pairwise exchange interaction J(eff) (T,(r) over;right arrow) similar to T J ((r) over right arrow root T) that has a;logarithmic form at short distances and decays exponentially beyond a;thermal correlation length xi(T) similar to 1/root T. The sign of J(eff);depends on whether the two orphan spins belong to the same kagome layer;or not. We provide a detailed analytical account of these properties;using an effective field theory approach specifically tailored for the;problem at hand. These results are in quantitative agreement with;large-scale Monte Carlo numerics.;3;1;0;0;3;1098-0121;WOS:000311715100008;;;J;Solanki, Ravindra Singh;Mishra, S. K.;Senyshyn, Anatoliy;Ishii, I.;Moriyoshi, Chikako;Suzuki, Takashi;Kuroiwa, Yoshihiro;Pandey, Dhananjai;Antiferrodistortive phase transition in pseudorhombohedral;(Pb0.94Sr0.06)( Zr0.550Ti0.450)O-3: A combined synchrotron x-ray and;neutron powder diffraction study;PHYSICAL REVIEW B;86;17;174117;10.1103/PhysRevB.86.174117;NOV 30 2012;2012;The controversies about the structure of the true ground state of;pseudorhombohedral compositions of Pb(ZrxTi1-x)O-3 (PZT) are addressed;using a 6% Sr2+ substituted sample with x = 0.550. Sound velocity;measurements reveal a phase transition at T-c similar to 279 K. The;temperature dependence of full width at half maximum of (h00)(pc) peaks;and the unit cell volume also show anomalies around 279 K even though;there is no indication of any change of space group in the synchrotron;x-ray powder diffraction (SXRD) patterns. The neutron powder diffraction;patterns reveal appearance of superlattice peaks below T-c similar to;279 K, confirming the existence of an antiferrodistortive phase;transition. The Rietveld analysis of the room-temperature and;low-temperature SXRD data below T-c shows that the structure corresponds;to single monoclinic phase in the Cm space group while the analysis of;neutron powder diffraction data reveals that the structure of the;ground-state phase below T-c corresponds to the Cc space group. Our;analysis shows that the structural models for the ground-state phase;based on the R3c space group with or without the coexistence of the;room-temperature monoclinic phase in the Cm space group can be rejected.;SOLANKI, RAVINDRA /H-7221-2013; Senyshyn, Anatoliy/C-8267-2014;Senyshyn, Anatoliy/0000-0002-1473-8992;3;0;0;0;3;1098-0121;WOS:000311714600001;;;J;Steinke, N. -J.;Moore, T. A.;Mansell, R.;Bland, J. A. C.;Barnes, C. H. W.;Nonuniversal dynamic magnetization reversal in the Barkhausen-dominated;and mesofrequency regimes;PHYSICAL REVIEW B;86;18;184434;10.1103/PhysRevB.86.184434;NOV 30 2012;2012;Dynamic magnetization reversal in the mesofrequency range is studied by;ac magneto-optical Kerr effect (ac-MOKE) and ac anisotropic;magnetoresistance (ac-AMR) magnetometry in a series of epitaxial and;polycrystalline thin magnetic films. The dynamic coercive field was;found to scale as a power law with scaling exponents <= 1/2 depending on;the ferromagnetic material. In addition, there is a low sweep rate;regime in which the dynamic coercivity reaches a minimum. These findings;are explained in the context of reversal proceeding by motion of a few;domain walls (similar to 1). At dc and low field sweep rates the;reversal proceeds between local pinning sites via Barkhausen avalanches;and the overall reversal speed is strongly dependent on the field sweep;rate. At higher field sweep rates a continuous motion regime is entered;in which the reversal velocity depends linearly on the applied field;sweep rate and only an average pinning force is experienced by the wall.;The fit of the dynamic coercivity vs applied field sweep rate allows the;determination of the average nonlocal pinning field. The nonuniversal;scaling exponent can be explained using recently developed models and;introducing a field rate-dependent number of active domain walls.;Mansell, Rhodri/A-1450-2013;2;0;0;0;2;1098-0121;WOS:000311714700003;;;J;Stoffel, M.;Fagot-Revurat, Y.;Tejeda, A.;Kierren, B.;Nicolaou, A.;Le Fevre, P.;Bertran, F.;Taleb-Ibrahimi, A.;Malterre, D.;Electron-phonon coupling on strained Ge/Si(111)-(5x5) surfaces;PHYSICAL REVIEW B;86;19;195438;10.1103/PhysRevB.86.195438;NOV 30 2012;2012;We investigate the structural and electronic properties of strained;Ge/Si(111)-(5 x 5) surfaces by means of scanning tunneling microscopy;and high-resolution angle-resolved photoemission spectroscopy. The;homogeneous (5 x 5) reconstructed overlayers are characterized by three;electronic surface states, similar to the Si(111)-(7 x 7) surface. The;dispersion of the dangling bond related surface state exhibits the same;periodicity as that of the (5 x 5) reconstruction. Moreover, a careful;analysis of the shape and width of this surface state provides striking;evidence of electron-phonon coupling at low temperatures. By considering;the spectral function within a simple Debye model, we determine both the;Debye energy and the electron-phonon coupling strength. The latter value;is further confirmed by analyzing the temperature-dependent phonon;broadening of the dangling bond related surface state linewidth.;BERTRAN, Francois/B-7515-2008; Tejeda, Antonio/C-4711-2014;BERTRAN, Francois/0000-0002-2416-0514; Tejeda,;Antonio/0000-0003-0125-4603;1;0;0;0;1;1098-0121;WOS:000311715000012;;;J;Turek, I.;Kudrnovsky, J.;Carva, K.;Magnetic anisotropy energy of disordered tetragonal Fe-Co systems from;ab initio alloy theory;PHYSICAL REVIEW B;86;17;174430;10.1103/PhysRevB.86.174430;NOV 30 2012;2012;We present results of systematic fully relativistic first-principles;calculations of the uniaxial magnetic anisotropy energy (MAE) of a;disordered and partially ordered tetragonal Fe-Co alloy using the;coherent potential approximation (CPA). This alloy has recently become a;promising system for thin ferromagnetic films with a perpendicular;magnetic anisotropy. We find that existing theoretical approaches to;homogeneous random bulk Fe-Co alloys, based on a simple virtual crystal;approximation (VCA), overestimate the maximum MAE values obtained in the;CPA by a factor of 4. This pronounced difference is ascribed to the;strong disorder in the minority spin channel of real alloys, which is;neglected in the VCA and which leads to a broadening of the d-like;eigenstates at the Fermi energy and to the reduction of the MAE. The;ordered Fe-Co alloys with a maximum L1(0)-like atomic long-range order;can exhibit high values of the MAE, which, however, get dramatically;reduced by small perturbations of the perfect order.;Carva, Karel/A-3703-2008; Turek, Ilja/G-5553-2014; KUDRNOVSKY, Josef/G-5581-2014;KUDRNOVSKY, Josef/0000-0002-9968-6748;10;0;0;0;10;1098-0121;WOS:000311714600004;;;J;Uppstu, Andreas;Harju, Ari;High-field magnetoresistance revealing scattering mechanisms in graphene;PHYSICAL REVIEW B;86;20;201409;10.1103/PhysRevB.86.201409;NOV 30 2012;2012;We show that the type of charge carrier scattering significantly affects;the high-field magnetoresistance of graphene nanoribbons. This effect;has the potential to be used in identifying the scattering mechanisms in;graphene. The results also provide an explanation for the experimentally;found, intriguing differences in the behavior of the magnetoresistance;of graphene Hall bars placed on different substrates. Additionally, our;simulations indicate that the peaks in the longitudinal resistance tend;to become pinned to fractionally quantized values, as different;transport modes have very different scattering properties.;Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;1;0;0;0;1;1098-0121;WOS:000311715100004;;;J;White, Alexander J.;Sukharev, Maxim;Galperin, Michael;Molecular nanoplasmonics: Self-consistent electrodynamics in;current-carrying junctions;PHYSICAL REVIEW B;86;20;205324;10.1103/PhysRevB.86.205324;NOV 30 2012;2012;We consider a biased molecular junction subjected to an external;time-dependent electromagnetic field. We discuss local field formation;due to both surface plasmon-polariton excitations in the contacts and;the molecular response. Employing realistic parameters we demonstrate;that such self-consistent treatment is crucial for the proper;description of the junction transport characteristics.;White, Alexander/D-8754-2014;White, Alexander/0000-0002-7771-3899;3;0;0;0;3;1098-0121;WOS:000311715100010;;;J;Wierschem, Keola;Kato, Yasuyuki;Nishida, Yusuke;Batista, Cristian D.;Sengupta, Pinaki;Magnetic and nematic orderings in spin-1 antiferromagnets with;single-ion anisotropy;PHYSICAL REVIEW B;86;20;201108;10.1103/PhysRevB.86.201108;NOV 30 2012;2012;We study a spin-1 Heisenberg model with exchange interaction J, uniaxial;single-ion exchange anisotropy D, and Zeeman coupling to a magnetic;field B parallel to the symmetry axis. We compute the (D/J, B/J) quantum;phase diagram for square and simple cubic lattices by combining;analytical and quantum Monte Carlo approaches, and find a transition;between XY antiferromagnetic and ferronematic phases that spontaneously;break the U(1) symmetry of the model. In the language of bosonic gases,;this is a transition between a Bose-Einstein condensate (BEC) of single;bosons and a BEC of pairs. Our work opens up new avenues for measuring;this transition in real magnets.;8;0;0;0;8;1098-0121;WOS:000311715100001;;;J;Wu, Chien-Te;Valls, Oriol T.;Halterman, Klaus;Proximity effects in conical-ferromagnet/superconductor bilayers;PHYSICAL REVIEW B;86;18;184517;10.1103/PhysRevB.86.184517;NOV 30 2012;2012;We present a study of various aspects of proximity effects in F/S;(ferromagnet/superconductor) bilayers, where F has a spiral magnetic;texture such as that found in holmium, erbium, and other materials, and;S is a conventional s-wave superconductor. We numerically solve the;Bogoliubov-de Gennes (BdG) equations self-consistently and use the;solutions to compute physical quantities relevant to the proximity;effects in these bilayers. We obtain the relation between the;superconducting transition temperature T-c and the thicknesses d(F) of;the magnetic layer by solving the linearized BdG equations. We find that;the T-c (d(F)) curves include multiple oscillations. Moreover, the;system may be reentrant not only with d(F), as is the case when the;magnet is uniform, but also with temperature T : the superconductivity;disappears in certain ranges of d(F) or T. The T reentrance reported;here occurs when d(F) is larger than the spatial period of the conical;exchange field. We compute the condensation free energies and entropies;from the full BdG equations and find the results are in agreement with;T-c values obtained by linearization. The inhomogeneous nature of the;magnet makes it possible for all odd triplet pairing components to be;induced. We have investigated their properties and found that, as;compared to the singlet amplitude, both the m = 0 and +/- 1 triplet;components exhibit long-range penetration. For nanoscale bilayers, the;proximity lengths for both layers are also obtained. These lengths;oscillate with d(F) and they are found to be long range on both sides.;These results are shown to be consistent with recent experiments. We;also calculate the reverse proximity effect described by the;three-dimensional local magnetization, and the local density of states,;which reveals important energy-resolved signatures associated with the;proximity effects.;6;0;0;0;6;1098-0121;WOS:000311714700005;;;J;Altarelli, M.;Kurta, R. P.;Vartanyants, I. A.;X-ray cross-correlation analysis and local symmetries of disordered;systems: General theory (vol 82, 104207, 2010);PHYSICAL REVIEW B;86;17;179904;10.1103/PhysRevB.86.179904;NOV 29 2012;2012;1;0;0;0;1;1098-0121;WOS:000311693600006;;;J;Beheshtian, J.;Sadeghi, A.;Neek-Amal, M.;Michel, K. H.;Peeters, F. M.;Induced polarization and electronic properties of carbon-doped boron;nitride nanoribbons;PHYSICAL REVIEW B;86;19;195433;10.1103/PhysRevB.86.195433;NOV 29 2012;2012;The electronic properties of boron nitride nanoribbons (BNNRs) doped;with a line of carbon atoms are investigated using density functional;calculations. By replacing a line of alternating B and N atoms with;carbons, three different configurations are possible depending on the;type of the atoms which bond to the carbons. We found very different;electronic properties for these configurations: (i) the NCB arrangement;is strongly polarized with a large dipole moment having an unexpected;direction, (ii) the BCB and NCN arrangements are nonpolar with zero;dipole moment, (iii) the doping by a carbon line reduces the band gap;regardless of the local arrangement of the borons and the nitrogens;around the carbon line, and (iv) the polarization and energy gap of the;carbon-doped BNNRs can be tuned by an electric field applied parallel to;the carbon line. Similar effects were found when either an armchair or;zigzag line of carbon was introduced.;Sadeghi, Ali/D-1554-2013;8;0;0;0;8;1098-0121;WOS:000311694200006;;;J;Chi, Hang;Kim, Hyoungchul;Thomas, John C.;Su, Xianli;Stackhouse, Stephen;Kaviany, Massoud;Van der Ven, Anton;Tang, Xinfeng;Uher, Ctirad;Configuring pnicogen rings in skutterudites for low phonon conductivity;PHYSICAL REVIEW B;86;19;195209;10.1103/PhysRevB.86.195209;NOV 29 2012;2012;Dominant heat-carrying modes in skutterudites are associated with;vibrations of the pnicogen rings. Apart from filling the structural;cages with foreign species, disrupting the pnicogen ring structure by;substitutional alloying should be an effective approach to reduce;thermal conductivity. In this paper we explore alloying configurations;of pnicogen rings (Sb rings in the case of CoSb3) that yield;particularly low values of the thermal conductivity. We find that IV-VI;double substitution (replacing two Sb atoms with one atom each from the;column IV and column VI elements to achieve an average charge of two Sb;atoms) is a very effective approach. Our ab initio calculations, in;combination with a cluster expansion, have allowed us to identify stable;alloy configurations on the Sb rings. Subsequent molecular and lattice;dynamics simulations on low energy configurations establish the range of;atomic displacement parameters and values of the thermal conductivity.;Theoretical results are in good agreement with our experimental thermal;conductivity values. Combining both approaches of compensated double;substitution and filling of structural cages should be an effective way;of improving the thermoelectric figure of merit of skutterudites.;Su, Xianli/A-9685-2012; Chi, Hang/F-1537-2011; Thomas, John/A-2764-2009; Kim, Hyoungchul/F-2557-2014;Chi, Hang/0000-0002-1299-1150; Thomas, John/0000-0002-3162-0152; Kim,;Hyoungchul/0000-0003-3109-660X;8;0;0;0;8;1098-0121;WOS:000311694200003;;;J;Fortmann, C.;Niemann, C.;Glenzer, S. H.;Theory of x-ray scattering in high-pressure electrides;PHYSICAL REVIEW B;86;17;174116;10.1103/PhysRevB.86.174116;NOV 29 2012;2012;We report on a theoretical model for the calculation of x-ray scattering;from high-pressure electrides. By treating interstitial electrons as;effective anions forming a sublattice within the crystal, we explicitly;account for Bragg reflections from the sublattice as well as for;scattering interferences between the ion lattice and the anion;sublattice. The additional reflections and interferences lead to;significant modifications of the static structure factor as compared to;the pure lattices. Our results are important for accurate calculations;of material properties in the high-pressure phase and allow for direct;experimental verification of electride phases in matter at ultrahigh;pressures through angle-resolved x-ray scattering.;2;0;0;0;2;1098-0121;WOS:000311693600001;;;J;Guclu, Caner;Campione, Salvatore;Capolino, Filippo;Hyperbolic metamaterial as super absorber for scattered fields generated;at its surface;PHYSICAL REVIEW B;86;20;205130;10.1103/PhysRevB.86.205130;NOV 29 2012;2012;We show that hyperbolic metamaterials (HMs) that exhibit hyperbolic;wave-vector dispersion diagrams possess two important features related;to super absorption: The total power scattered by a nanosphere is (i);greatly enhanced when placed at the HM surface, compared to other;material surfaces, and (ii) almost totally directed into the HM. We show;that these two features are peculiar of HM interfaces, and we support;them using a spectral theory study of transverse-electric and magnetic;waves scattered by a subwavelength nanosphere. We analyze the;nanosphere's scattered power absorbed by various substrate;configurations. We also consider various nanosphere materials.;22;0;0;0;22;1098-0121;WOS:000311694300002;;;J;Hebbache, M.;Entanglement of electron spins and geometric phases in the diamond color;center coupled to the P1 center;PHYSICAL REVIEW B;86;19;195316;10.1103/PhysRevB.86.195316;NOV 29 2012;2012;Impurity spins in semiconductors are potential quantum bits.;Entanglement and topological phases are key resources in quantum;computation. We prove that the coupled electron spins carried by a;diamond nitrogen-vacancy color center (NV-) and a single substitutional;nitrogen impurity (P1 center) are entangled in the immediate vicinity of;the level anticrossing that appears in the Zeeman energy diagram at;about 500 G. We also determine the Aharonov-Anandan, Berry, and marginal;geometric phases that can be accumulated by the state vectors of this;spin system when it is magnetically transported around a closed path. At;the resonance where the gap between two energy levels is minimum, the;geometric phases undergo discontinuities, and the entanglement of the;two electron spins is maximal.;2;0;0;0;2;1098-0121;WOS:000311694200004;;;J;Kerdsongpanya, Sit;Alling, Bjorn;Eklund, Per;Effect of point defects on the electronic density of states of ScN;studied by first-principles calculations and implications for;thermoelectric properties;PHYSICAL REVIEW B;86;19;195140;10.1103/PhysRevB.86.195140;NOV 29 2012;2012;We have investigated the effect of defects and impurities on the;electronic density of states of scandium nitride using first-principles;calculations with the generalized gradient approximation and hybrid;functionals for the exchange correlation energy. Our results show that;Sc and N vacancies can introduce asymmetric peaks in the density of;states close to the Fermi level. We also find that the N vacancy states;are sensitive to total electron concentration of the system due to their;possibility for spin polarization. Substitutional point defects shift;the Fermi level in the electronic band according to their valence but do;not introduce sharp features. The energetics and electronic structure of;defect pairs are also studied. By using hybrid functional calculations,;a correct description of the band gap of scandium nitride is obtained.;Our results envisage ways for improving the thermoelectric figure of;merit of ScN by electronic structure engineering through stoichiometry;tuning and doping.;Eklund, Per/B-7677-2011; Alling, Bjorn/I-3193-2012;Eklund, Per/0000-0003-1785-0864; Alling, Bjorn/0000-0001-5863-5605;8;0;0;0;8;1098-0121;WOS:000311694200001;;;J;Kim, Jiseok;Fischetti, Massimo V.;Aboud, Shela;Structural, electronic, and transport properties of silicane nanoribbons;PHYSICAL REVIEW B;86;20;205323;10.1103/PhysRevB.86.205323;NOV 29 2012;2012;Silicane ribbons do not suffer from aromatic dependence of the band gap;making them a more promising candidate for near-term nanoelectronic;application compared to armchair graphene nanoribbons. The structural,;electronic, and transport properties of free-standing sp(3)-hybridized;armchair- and zigzag-edge silicane nanoribbons have been investigated;using ab initio and nonlocal empirical pseudopotential calculations.;Under ambient conditions, two-dimensional silicane sheets will;spontaneously break into stable one-dimensional ribbons similar to;density functional theory studies of graphene ribbons. The calculated;low-field electron mobility and ballistic conductance show a strong edge;dependence, due to differences in the effective mass and momentum;relaxation rates along the two transport directions. The mobility in;zigzag-edge ribbons is found to be approximately twenty times higher;than in armchair-edge ribbons.;7;0;0;0;7;1098-0121;WOS:000311694300004;;;J;Kim, Kyou-Hyun;Payne, David A.;Zuo, Jian-Min;Symmetry of piezoelectric (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (x=0.31);single crystal at different length scales in the morphotropic phase;boundary region;PHYSICAL REVIEW B;86;18;184113;10.1103/PhysRevB.86.184113;NOV 29 2012;2012;We use probes of three different length scales to examine symmetry of (1;- x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) single crystals in the;morphotropic phase boundary (MPB) region at composition x = 0.31;(PMN-31% PT). On the macroscopic scale, x-ray diffraction (XRD) shows a;mixture of strong and weak diffraction peaks of different widths. The;closest match to XRD peak data is made with monoclinic Pm (M-C);symmetry. On the local scale of a few nanometers, convergent beam;electron diffraction (CBED) studies, with a 1.6-nm electron probe,;reveal no obvious symmetry. These CBED experimental patterns can be;approximately matched with simulations based on monoclinic symmetry,;which suggests locally distorted monoclinic structure. A monoclinic Cm;(M-A or M-B)-like symmetry could also be obtained from certain regions;of the crystal by using a larger electron probe size of several tens of;nanometers in diameter. Thus the monoclinic symmetry of single crystal;PMN-31% PT is developed only in parts of the crystal by averaging over;locally distorted structure on the scale of few tens of nanometers. The;macroscopic symmetry observed by XRD is a result of averaging from the;local structure in PMN-31% PT single crystal. The lack of local symmetry;at a few nanometers scale suggests that the polarization switching;results from a change in local displacements, which are not restricted;to specific symmetry planes or directions.;2;0;0;0;2;1098-0121;WOS:000311693900002;;;J;Kossacki, P.;Faugeras, C.;Kuehne, M.;Orlita, M.;Mahmood, A.;Dujardin, E.;Nair, R. R.;Geim, A. K.;Potemski, M.;Circular dichroism of magnetophonon resonance in doped graphene;PHYSICAL REVIEW B;86;20;205431;10.1103/PhysRevB.86.205431;NOV 29 2012;2012;The polarization-resolved Raman-scattering response due to E-2g phonons;in monolayer graphene has been investigated in magnetic fields up to 29;T. The hybridization of the E-2g phonon is only observed with the;fundamental inter-Landau-level excitation (involving the n = 0 Landau;level) and in just one of the two configurations of the circularly;cross-polarized excitation and scattered light. This polarization;anisotropy of the magnetophonon resonance is shown to be inherent to;relatively strongly doped graphene samples with carrier concentrations;typical for graphene deposited on Si/SiO2 substrates.;Dujardin, Erik/A-2748-2010; Raveendran Nair, Rahul/G-5839-2010; Orlita, Milan/H-1130-2014;Dujardin, Erik/0000-0001-7242-9250;;3;0;0;0;3;1098-0121;WOS:000311694300005;;;J;Kostylev, M.;Stashkevich, A. A.;Roussigne, Y.;Grigoryeva, N. A.;Mistonov, A. A.;Menzel, D.;Sapoletova, N. A.;Napolskii, K. S.;Eliseev, A. A.;Lukashin, A. V.;Grigoriev, S. V.;Samarin, S. N.;Microwave properties of Ni-based ferromagnetic inverse opals;PHYSICAL REVIEW B;86;18;184431;10.1103/PhysRevB.86.184431;NOV 29 2012;2012;Investigations of microwave properties of Ni-based inverse ferromagnetic;opal-like film with the [111] axis of the fcc structure along the normal;direction to the film have been carried out in the 2-18 GHz frequency;band. We observed multiple spin wave resonances for the magnetic field;applied perpendicular to the film, i.e., along the [111] axis of this;artificial crystal. For the field applied in the film plane, a broad;band of microwave absorption is observed, which does not contain a fine;structure. The field ranges of the responses observed are quite;different for these two magnetization directions. This suggests a;collective magnetic ground state or shape anisotropy and collective;microwave dynamics for this foam-like material. This result is in;agreement with SQUID measurements of hysteresis loops for the material.;Two different models for this collective behavior are suggested that;satisfactorily explain the major experimental results.;Lukashin, Alexey/F-6746-2013; Mistonov, Alexander/H-2098-2013; Grigoryeva, Natalia/K-2253-2013; Kostylev, Mikhail/H-5214-2014;Mistonov, Alexander/0000-0003-0138-3579; Grigoryeva,;Natalia/0000-0002-9910-6192;;1;0;0;0;1;1098-0121;WOS:000311693900004;;;J;Kvashnin, Y. O.;Khmelevskyi, S.;Kudrnovsky, J.;Yaresko, A. N.;Genovese, L.;Bruno, P.;Noncollinear magnetic ordering in compressed FePd3 ordered alloy: A;first principles study;PHYSICAL REVIEW B;86;17;174429;10.1103/PhysRevB.86.174429;NOV 29 2012;2012;By means of ab initio calculations based on the density functional;theory we investigated the magnetic phase diagram of ordered FePd3 alloy;as a function of external pressure. Considering several magnetic;configurations we concluded that the system under pressure has a;tendency toward noncollinear spin alignment. Analysis of the Heisenberg;exchange parameters J(ij) revealed strong dependence of iron-iron;magnetic couplings on polarization of Pd atoms. To take into account;that effect we built an extended Heisenberg model with higher order;(biquadratic) terms. Minimizing the energy of this Hamiltonian, fully;parametrized using the results of ab initio calculations, we found a;candidate for a ground state of compressed FePd3, which can be seen as;two interpenetrating "triple-Q" phases.;Genovese, Luigi/C-5937-2011; Bruno, Patrick/C-9159-2009; KUDRNOVSKY, Josef/G-5581-2014;Genovese, Luigi/0000-0003-1747-0247; Bruno, Patrick/0000-0002-2574-1943;;KUDRNOVSKY, Josef/0000-0002-9968-6748;1;0;0;0;1;1098-0121;WOS:000311693600004;;;J;Li, Wu;Lindsay, L.;Broido, D. A.;Stewart, Derek A.;Mingo, Natalio;Thermal conductivity of bulk and nanowire Mg2SixSn1-x alloys from first;principles;PHYSICAL REVIEW B;86;17;174307;10.1103/PhysRevB.86.174307;NOV 29 2012;2012;The lattice thermal conductivity (kappa) of the thermoelectric;materials, Mg2Si, Mg2Sn, and their alloys, are calculated for bulk and;nanowires, without adjustable parameters. We find good agreement with;bulk experimental results. For large nanowire diameters, size effects;are stronger for the alloy than for the pure compounds. For example, in;200 nm diameter nanowires kappa is lower than its bulk value by 30%,;20%, and 20% for Mg2Si0.6Sn0.4, Mg2Si, and Mg2Sn, respectively. For;nanowires less than 20 nm thick, the relative decrease surpasses 50%,;and it becomes larger in the pure compounds than in the alloy. At room;temperature, kappa of Mg2SixSn1-x is less sensitive to nanostructuring;size effects than SixGe1-x, but more sensitive than PbTexSe1-x. This;suggests that further improvement of Mg2SixSn1-x as a nontoxic;thermoelectric may be possible.;Lindsay, Lucas/C-9221-2012; Stewart, Derek/B-6115-2008;25;1;0;0;25;1098-0121;WOS:000311693600002;;;J;Niklasson, Anders M. N.;Cawkwell, Marc J.;Fast method for quantum mechanical molecular dynamics;PHYSICAL REVIEW B;86;17;174308;10.1103/PhysRevB.86.174308;NOV 29 2012;2012;As the processing power available for scientific computing grows,;first-principles Born-Oppenheimer molecular dynamics simulations are;becoming increasingly popular for the study of a wide range of problems;in materials science, chemistry, and biology. Nevertheless, the;computational cost of Born-Oppenheimer molecular dynamics still remains;prohibitively large for many potential applications. Here we show how to;avoid a major computational bottleneck: the self-consistent-field;optimization prior to force calculations. The optimization-free quantum;mechanical molecular dynamics method gives trajectories that are almost;indistinguishable from an "exact" microcanonical Born-Oppenheimer;molecular dynamics simulation even when low-prefactor linear scaling;sparse matrix algebra is used. Our findings show that the computational;gap between classical and quantum mechanical molecular dynamics;simulations can be significantly reduced.;4;0;0;0;4;1098-0121;WOS:000311693600003;;;J;Ong, Zhun-Yong;Fischetti, Massimo V.;Theory of interfacial plasmon-phonon scattering in supported graphene;(vol 86, 165422, 2012);PHYSICAL REVIEW B;86;19;199904;10.1103/PhysRevB.86.199904;NOV 29 2012;2012;Ong, Zhun-Yong/B-9486-2013;Ong, Zhun-Yong/0000-0003-2668-6453;6;0;0;0;6;1098-0121;WOS:000311694200007;;;J;Per, Manolo C.;Snook, Ian K.;Russo, Salvy P.;Efficient calculation of unbiased expectation values in diffusion;quantum Monte Carlo;PHYSICAL REVIEW B;86;20;201107;10.1103/PhysRevB.86.201107;NOV 29 2012;2012;Despite the proven utility of quantum Monte Carlo methods in addressing;the quantum many-body problem, many important observables are difficult;to calculate due to the presence of large, and sometimes divergent,;statistical errors. The present state of the art allows the construction;of renormalized estimators which result in finite variances, but which;invariably include some systematic bias. We present a simple method for;calculating unbiased expectation values of local operators in the;diffusion quantum Monte Carlo method which is applicable to both bare;and renormalized estimators, allowing the accurate calculation of;important properties such as forces.;snook, ian/A-3427-2009; Per, Manolo/C-3680-2011;1;0;0;0;1;1098-0121;WOS:000311694300001;;;J;Simonson, J. W.;Smith, G. J.;Post, K.;Pezzoli, M.;Kistner-Morris, J. J.;McNally, D. E.;Hassinger, J. E.;Nelson, C. S.;Kotliar, G.;Basov, D. N.;Aronson, M. C.;Magnetic and structural phase diagram of CaMn2Sb2;PHYSICAL REVIEW B;86;18;184430;10.1103/PhysRevB.86.184430;NOV 29 2012;2012;On the basis of magnetic, transport, and optical measurements performed;on single crystals, we report CaMn2Sb2 to be an antiferromagnetic;insulator that exhibits weak ferromagnetic order above the Neel;temperature. Magnetic susceptibility measurements reveal the magnitude;of the high-temperature Curie-Weiss moment to be only half as large as;the ground-state ordered moment, while electronic-structure calculations;based on crystallographic measurements suggest a crystal-field-induced;spin-state transition does not occur. The antiferromagnetic state is;relatively insensitive to both doping and modest pressures, while the;ferromagnetism can be readily tuned by either. Infrared transmission and;pressure-dependent resistivity measurements suggest proximity to an;electronic delocalization transition. We suggest the ferromagnetic state;may be the signature of magnetic polarons.;1;1;0;0;1;1098-0121;WOS:000311693900003;;;J;Stishov, Sergei M.;Petrova, Alla E.;Sidorov, Vladimir A.;Menzel, Dirk;Self-doping effects in cobalt silicide CoSi: Electrical, magnetic,;elastic, and thermodynamic properties (vol 86, 064433, 2012);PHYSICAL REVIEW B;86;17;179903;10.1103/PhysRevB.86.179903;NOV 29 2012;2012;0;0;0;0;0;1098-0121;WOS:000311693600005;;;J;Thede, M.;Xiao, F.;Baines, Ch.;Landee, C.;Morenzoni, E.;Zheludev, A.;Ordering in weakly coupled random singlet spin chains;PHYSICAL REVIEW B;86;18;180407;10.1103/PhysRevB.86.180407;NOV 29 2012;2012;The influence of bond randomness on long-range magnetic ordering in the;weakly coupled S = 1/2 antiferromagnetic spin chain materials;Cu(py)(2)(Cl1-xBrx)(2) is studied by muon spin rotation and bulk;measurements. Disorder is found to have a strong effect on the ordering;temperature T-N, and an even stronger one on the saturation;magnetization m(0), but considerably more so in the effectively;lower-dimensional Br-rich materials. The observed behavior is attributed;to random singlet ground states of individual spin chains, but remains;in contradiction with chain mean-field theory [Joshi and Yang, Phys.;Rev. B 67, 174403 (2003)] predictions. In this context, we discuss the;possibility of a universal distribution of ordered moments in the weakly;coupled random singlet chains model.;Thede, Matthias/L-2975-2013;4;0;0;0;4;1098-0121;WOS:000311693900001;;;J;Usov, V.;Stoyanov, S.;Coileain, C. O.;Toktarbaiuly, O.;Shvets, I. V.;Antiband instability on vicinal Si(111) under the condition of;diffusion-limited sublimation;PHYSICAL REVIEW B;86;19;195317;10.1103/PhysRevB.86.195317;NOV 29 2012;2012;In this paper, we investigate the antiband instability on vicinal;Si(111) surfaces with different angles of misorientation. It is known;that prolonged direct current-annealing of Si(111) results in the;formation of antibands; i.e., the step bunches with the opposite slope;to the primary bunches. We provide a theoretical description of antiband;formation via the evolution of the atomic steps' shape. We also derive a;criterion for the onset of the antiband instability under the conditions;of sublimation controlled by slow adatom surface diffusion. We examine;this criterion experimentally by studying the initial stage of the;antiband formation at a constant temperature of 1270 degrees C while;systematically varying the applied electromigration field. The;experiment strongly supports the validity of the derived theoretical;criterion and indicates the importance of accounting for the factor of;critical field in the theoretical modeling of step bunching or antiband;instabilities. Deduced from the comparison of theory and experiment, the;Si surface atoms' effective charge cannot exceed double the elementary;charge, set by the lower limit of kinetic characteristic length d(s) =;0.3 nm. Using d(s) = 1.7 - 4.5 nm draws values of the effective charge;in line with the values reported in earlier studies.;Shvets, Igor/J-8710-2013;0;0;0;0;0;1098-0121;WOS:000311694200005;;;J;Weber, Cedric;Mila, Frederic;Anticollinear magnetic order induced by impurities in the frustrated;Heisenberg model of pnictides;PHYSICAL REVIEW B;86;18;184432;10.1103/PhysRevB.86.184432;NOV 29 2012;2012;We present Monte Carlo simulations for a classical antiferromagnetic;Heisenberg model with both nearest (J(1)) and next-nearest (J(2));exchange couplings on the square lattice in the presence of nonmagnetic;impurities. We show that the order-by-disorder entropy selection,;associated with the Ising-like phase transition that appears for;J(2)/J(1) > 1/2 in the pure spin model, is quenched at low temperature;due to the presence of nonmagnetic impurities. Evidence that a new;competing order is stabilized around the impurities and in turn induces;a reentrance phase transition is reported. Implications for local;magnetic measurement of the parent compound of iron pnictides are;briefly discussed.;Weber, Cedric/D-5027-2014;Weber, Cedric/0000-0002-6989-2700;4;0;0;0;4;1098-0121;WOS:000311693900005;;;J;Weston, L.;Cui, X. Y.;Delley, B.;Stampfl, C.;Band offsets and polarization effects in wurtzite ZnO/Mg0.25Zn0.75O;superlattices from first principles;PHYSICAL REVIEW B;86;20;205322;10.1103/PhysRevB.86.205322;NOV 29 2012;2012;Using first-principles calculations, we investigate the band offsets,;built-in electric fields, and band gaps of (0001)-oriented wurtzite;ZnO/Mg0.25Zn0.75O superlattices, including the dependence on;superlattice geometry and strain. Significant built-in electric fields;form inside the quantum-well region that are found to be tunable over;the range 0.24 MV/cm <= E-w <= 0.63 MV/cm, and potentially up to 1MV/cm;by varying the relative width of the well and barrier regions. The;valence band offset at the ZnO/Mg0.25Zn0.75O interface is calculated to;be 0.25-0.26 eV which, in contrast to the "common anion rule," is a;significant portion of the total band offset, and this is in support of;recent experiment. Calculated values for the valence band offset were;found to be insensitive to variations in superlattice geometry and;strain. The band gap of the superlattice is determined by the competing;effects of quantum confinement and the quantum-confined Stark effect,;with the former being more dominant for the systems investigated. These;findings will be useful in the design and optimization of ZnO/MgxZn1-xO;superlattices for electronics and optoelectronics applications.;Delley, Bernard/E-1336-2014;Delley, Bernard/0000-0002-7020-2869;3;0;1;0;4;1098-0121;WOS:000311694300003;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;PHYSICAL REVIEW B;86;19;195141;10.1103/PhysRevB.86.195141;NOV 29 2012;2012;We perform realistic first-principles calculations of iron chalcogenides;and ruthenate-based materials to identify experimental signatures of;Hund's-coupling-induced correlations in these systems. We find that FeTe;and KxFe2-yAs2 display unusual orbital-dependent fractional power-law;behavior in their quasiparticle self-energy and optical conductivity, a;phenomenon first identified in SrRuO3. Strong incoherence in the;paramagnetic state of these materials results in electronic states;hidden to angle-resolved photoemission spectroscopy which reemerge at;low temperatures. We identify the effective low-energy Hamiltonian;describing these systems and show that these anomalies are not;controlled by the proximity to a quantum critical point but result from;coexistence of fast quantum mechanical orbital fluctuations and slow;spin fluctuations.;Yin, Zhiping/G-3949-2012;Yin, Zhiping/0000-0001-8679-5251;10;0;0;0;10;1098-0121;WOS:000311694200002;;;J;Kumar, A.;Fennie, C. J.;Rabe, K. M.;
7:2:21:31 Static dielectric response and polar phonons of Ba(Mn1/3Nb2/3)O-3 and Ba(Ni1/3Nb2/3)O-3 complex perovskites
DOI:10.1016/j.commatsci.2013.07.044 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2013 TC:0 AU: Dai, Jian-Qing;Zhang, Hu;Song, Yu-Min;
7:2:21:32 Effect of site-disorder on magnetism and magneto-structural coupling in gallium ferrite: A first-principles study (vol 111, 043915, 2012)
DOI:10.1063/1.4704694 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Roy, Amritendu;Prasad, Rajendra;Auluck, Sushil;Garg, Ashish;
7:2:21:33 Does a Heisenberg Hamiltonian describe magnetic interactions in a MnSi film properly?
DOI:10.1016/j.jmmm.2009.03.007 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:2 AU: Hortamani, M.;Sandratskii, L. M.;Mertig, I.;
7:2:22:1 Full field electron spectromicroscopy applied to ferroelectric materials
DOI:10.1063/1.4801968 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:9 AU: Barrett, N.;Rault, J. E.;Wang, J. L.;Mathieu, C.;Locatelli, A.;Mentes, T. O.;Nino, M. A.;Fusil, S.;Bibes, M.;Barthelemy, A.;Sando, D.;Ren, W.;Prosandeev, S.;Bellaiche, L.;Vilquin, B.;Petraru, A.;Krug, I. P.;Schneider, C. M.;
7:2:22:2 Polarization dependence of Schottky barrier heights at interfaces of ferroelectrics determined by photoelectron spectroscopy
DOI:10.1103/PhysRevB.86.094105 JN:PHYSICAL REVIEW B PY:2012 TC:13 AU: Chen, Feng;Klein, Andreas;
7:2:22:3 Polarization-Control of the Potential Barrier at the Electrode Interfaces in Epitaxial Ferroelectric Thin Films
DOI:10.1021/am405508k JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:12 AU: Pintilie, Ioana;Teodorescu, Cristian Mihail;Ghica, Corneliu;Chirila, Cristina;Boni, Andra Georgia;Hrib, Luminita;Pasuk, Iuliana;Negrea, Raluca;Apostol, Nicoleta;Pintilie, Lucian;
7:2:22:4 Charge transfer and band bending at Au/Pb(Zr0.2Ti0.8)O-3 interfaces investigated by photoelectron spectroscopy
DOI:10.1016/j.apsusc.2013.02.056 JN:APPLIED SURFACE SCIENCE PY:2013 TC:17 AU: Apostol, Nicoleta G.;Stoflea, Laura E.;Lungu, George A.;Chirila, Cristina;Trupina, Lucian;Negrea, Raluca F.;Ghica, Corneliu;Pintilie, Lucian;Teodorescu, Cristian M.;
7:2:22:5 Selective adsorption of contaminants on Pb(Zr,Ti)O-3 surfaces shown by X-ray photoelectron spectroscopy
DOI:10.1039/c4ta02660h JN:JOURNAL OF MATERIALS CHEMISTRY A PY:2014 TC:4 AU: Stoflea, Laura Elena;Apostol, Nicoleta Georgiana;Trupina, Lucian;Teodorescu, Cristian Mihail;
7:2:22:6 Schottky barrier versus surface ferroelectric depolarization at Cu/Pb(Zr, Ti)O-3 interfaces
DOI:10.1007/s10853-014-8041-6 JN:JOURNAL OF MATERIALS SCIENCE PY:2014 TC:5 AU: Stoflea, Laura E.;Apostol, Nicoleta G.;Chirila, Cristina;Trupina, Lucian;Negrea, Raluca;Pintilie, Lucian;Teodorescu, Cristian M.;
7:2:22:7 Interface electronic structure in a metal/ferroelectric heterostructure under applied bias
DOI:10.1103/PhysRevB.87.155146 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Rault, J. E.;Agnus, G.;Maroutian, T.;Pillard, V.;Lecoeur, Ph.;Niu, G.;Vilquin, B.;Silly, M. G.;Bendounan, A.;Sirotti, F.;Barrett, N.;
7:2:22:8 Thickness-Dependent Polarization of Strained BiFeO3 Films with Constant Tetragonality
DOI:10.1103/PhysRevLett.109.267601 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:10 AU: Rault, J. E.;Ren, W.;Prosandeev, S.;Lisenkov, S.;Sando, D.;Fusil, S.;Bibes, M.;Barthelemy, A.;Bellaiche, L.;Barrett, N.;
7:2:22:9 Polarization Sensitive Surface Band Structure of Doped BaTiO3(001)
DOI:10.1103/PhysRevLett.111.127602 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:3 AU: Rault, J. E.;Dionot, J.;Mathieu, C.;Feyer, V.;Schneider, C. M.;Geneste, G.;Barrett, N.;
7:2:22:10 X-ray photoelectron diffraction study of relaxation and rumpling of ferroelectric domains in BaTiO3(001)
DOI:10.1103/PhysRevB.87.184116 JN:PHYSICAL REVIEW B PY:2013 TC:5 AU: Pancotti, Alexandre;Wang, Jiale;Chen, Peixuan;Tortech, Ludovic;Teodorescu, Cristian-Mihail;Frantzeskakis, Emmanouil;Barrett, Nicholas;
7:2:22:11 Coexistence of piezoelectricity and electric conduction in oxygen-deficient NaNbO3-delta sub-micron cubes
DOI:10.1016/j.mseb.2013.12.002 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2014 TC:0 AU: Yun, B. K.;Park, Y. K.;Kang, P. G.;Jung, J. H.;Lee, N.;Jo, W.;Shin, H.;Yoon, S.;
7:2:22:12 Band bending at free Pb(Zr,Ti)O-3 surfaces analyzed spectroscopy by X-ray photoelectron
DOI:10.1016/j.mseb.2013.02.007 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2013 TC:13 AU: Apostol, Nicoleta G.;Stoflea, Laura E.;Lungu, George A.;Tache, Cristian A.;Popescu, Dana G.;Pintilie, Lucian;Teodorescu, Cristian M.;
7:2:22:13 Extrinsic screening of ferroelectric domains in Pb(Zr0.48Ti0.52)O-3
DOI:10.1063/1.3523359 JN:APPLIED PHYSICS LETTERS PY:2010 TC:15 AU: Krug, I.;Barrett, N.;Petraru, A.;Locatelli, A.;Mentes, T. O.;Nino, M. A.;Rahmanizadeh, K.;Bihlmayer, G.;Schneider, C. M.;
7:2:22:14 Band bending in Au/Pb(Zr,Ti)O-3 investigated by X-ray photoelectron spectroscopy: Dependence on the initial state of the film
DOI:10.1016/j.tsf.2013.04.092 JN:THIN SOLID FILMS PY:2013 TC:11 AU: Apostol, Nicoleta G.;Stoflea, Laura E.;Lungu, George A.;Tanase, Liviu C.;Chirila, Cristina;Frunza, Ligia;Pintilie, Lucian;Teodorescu, Cristian M.;
7:2:22:15 Probing ferroelectricity in PbZr0.2Ti0.8O3 with polarized soft x rays
DOI:10.1103/PhysRevB.82.140103 JN:PHYSICAL REVIEW B PY:2010 TC:13 AU: Arenholz, E.;van der Laan, G.;Fraile-Rodriguez, A.;Yu, P.;He, Q.;Ramesh, R.;
7:2:22:16 Ultrathin limit and dead-layer effects in local polarization switching of BiFeO3
DOI:10.1103/PhysRevB.85.014119 JN:PHYSICAL REVIEW B PY:2012 TC:10 AU: Maksymovych, Peter;Huijben, Mark;Pan, Minghu;Jesse, Stephen;Balke, Nina;Chu, Ying-Hao;Chang, Hye Jung;Borisevich, Albina Y.;Baddorf, Arthur P.;Rijnders, Guus;Blank, Dave H. A.;Ramesh, Ramamoorthy;Kalinin, Sergei V.;
7:2:22:17 Time-resolved photoemission spectroscopy on a metal/ferroelectric heterostructure
DOI:10.1103/PhysRevB.88.155107 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Rault, J. E.;Agnus, G.;Maroutian, T.;Pillard, V.;Lecoeur, Ph;Niu, G.;Vilquin, B.;Silly, M. G.;Bendounan, A.;Sirotti, F.;Barrett, N.;
7:2:22:18 Screening of ferroelectric domains on BaTiO3(001) surface by ultraviolet photo-induced charge and dissociative water adsorption
DOI:10.1063/1.4748330 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Wang, J. L.;Vilquin, B.;Barrett, N.;
7:2:22:19 Epitaxial ferromagnetic samarium and samarium silicide synthesized on Si(001)
DOI:10.1007/s10853-012-6672-z JN:JOURNAL OF MATERIALS SCIENCE PY:2012 TC:13 AU: Costescu, Ruxandra M.;Gheorghe, Nicoleta G.;Husanu, Marius A.;Lungu, George A.;Macovei, Dan;Pintilie, Ioana;Popescu, Dana G.;Teodorescu, Cristian M.;
7:2:22:20 Persistence of Surface Domain Structures for a Bulk Ferroelectric above T-C
DOI:10.1103/PhysRevLett.108.087602 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:8 AU: Hoefer, A.;Fechner, M.;Duncker, K.;Hoelzer, M.;Mertig, I.;Widdra, W.;
7:2:22:21 Direct spectroscopic evidence of charge reversal at the Pb(Zr0.2Ti0.8)O-3/La0.7Sr0.3MnO3 heterointerface
DOI:10.1103/PhysRevB.83.020103 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Wu, Chung-Lin;Lee, Pei-Wei;Chen, Yi-Chun;Chang, Lo-Yueh;Chen, Chia-Hao;Liang, Chen-Wei;Yu, Pu;He, Qing;Ramesh, R.;Chu, Ying-Hao;
7:2:22:22 Polarity-dependent kinetics of ferroelectric switching in epitaxial BiFeO3(111) capacitors
DOI:10.1063/1.3609235 JN:APPLIED PHYSICS LETTERS PY:2011 TC:6 AU: Kim, T. H.;Baek, S. H.;Yang, S. M.;Kim, Y. S.;Jeon, B. C.;Lee, D.;Chung, J. -S.;Eom, C. B.;Yoon, J. -G.;Noh, T. W.;
7:2:22:23 Doping-induced phase transitions in ferroelectric BaTiO3 from first-principles calculations
DOI:10.1103/PhysRevB.86.214103 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;
7:2:22:24 Structure, reactivity, electronic configuration and magnetism of samarium atomic layers deposited on Si(001) by molecular beam epitaxy
DOI:10.1016/j.apsusc.2012.08.016 JN:APPLIED SURFACE SCIENCE PY:2013 TC:6 AU: Gheorghe, Nicoleta G.;Lungu, George A.;Husanu, Marius A.;Costescu, Ruxandra M.;Macovei, Dan;Teodorescu, Cristian M.;
7:2:22:25 Finite element method simulation of the domain growth kinetics in single-crystal LiTaO3: Role of surface conductivity
DOI:10.1063/1.3623762 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:7 AU: Brugere, Antoine;Gidon, S.;Gautier, Brice;
7:2:22:26 Atomic structure and reactivity of ferromagnetic Fe deposited on Si(001)
DOI:10.1007/s10853-011-5963-0 JN:JOURNAL OF MATERIALS SCIENCE PY:2012 TC:10 AU: Gheorghe, Nicoleta G.;Husanu, Marius A.;Lungu, George A.;Costescu, Ruxandra M.;Macovei, Dan;Teodorescu, Cristian M.;
7:2:22:27 Heterojunction band offsets and dipole formation at BaTiO3/SrTiO3 interfaces
DOI:10.1063/1.4829695 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Balaz, Snjezana;Zeng, Zhaoquan;Brillson, Leonard J.;
7:2:22:28 Thickness dependence of switching time and coercive field in ferroelectric thin films
DOI:10.1063/1.3576110 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Alrub, Ahmad Musleh;Ong, Lye-Hock;
7:2:23:1 Thermally activated avalanches: Jamming and the progression of needle domains
DOI:10.1103/PhysRevB.83.104109 JN:PHYSICAL REVIEW B PY:2011 TC:38 AU: Salje, E. K. H.;Ding, X.;Zhao, Z.;Lookman, T.;Saxena, A.;
7:2:23:2 High Junction and Twin Boundary Densities in Driven Dynamical Systems
DOI:10.1002/adma.201200986 JN:ADVANCED MATERIALS PY:2012 TC:17 AU: Ding, X.;Zhao, Z.;Lookman, T.;Saxena, A.;Salje, E. K. H.;
7:2:23:3 Dynamically strained ferroelastics: Statistical behavior in elastic and plastic regimes
DOI:10.1103/PhysRevB.87.094109 JN:PHYSICAL REVIEW B PY:2013 TC:10 AU: Ding, X.;Lookman, T.;Zhao, Z.;Saxena, A.;Sun, J.;Salje, E. K. H.;
7:2:23:4 Mechanical Loss in Multiferroic Materials at High Frequencies: Friction and the Evolution of Ferroelastic Microstructures
DOI:10.1002/adma.201300655 JN:ADVANCED MATERIALS PY:2013 TC:12 AU: Zhao, Z.;Ding, X.;Lookman, T.;Sun, J.;Salje, E. K. H.;
7:2:23:5 Avalanche criticality in the martensitic transition of Cu67.64Zn16.71Al15.65 shape-memory alloy: A calorimetric and acoustic emission study
DOI:10.1103/PhysRevB.81.174102 JN:PHYSICAL REVIEW B PY:2010 TC:33 AU: Gallardo, Maria Carmen;Manchado, Julia;Romero, Francisco Javier;del Cerro, Jaime;Salje, Ekhard K. H.;Planes, Antoni;Vives, Eduard;Romero, Ricardo;Stipcich, Marcelo;
7:2:23:6 The noise of the needle: Avalanches of a single progressing needle domain in LaAlO3
DOI:10.1063/1.3460170 JN:APPLIED PHYSICS LETTERS PY:2010 TC:28 AU: Harrison, Richard J.;Salje, Ekhard K. H.;
7:2:23:7 Simulating acoustic emission: The noise of collapsing domains
DOI:10.1103/PhysRevB.90.064103 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Salje, E. K. H.;Wang, X.;Ding, X.;Sun, J.;
7:2:23:8 How to generate high twin densities in nano-ferroics: Thermal quench and low temperature shear
DOI:10.1063/1.4724192 JN:APPLIED PHYSICS LETTERS PY:2012 TC:13 AU: Salje, E. K. H.;Ding, X.;Zhao, Z.;Lookman, T.;
7:2:23:9 High frequency elastic losses in LaAlO3 and its importance for LaAlO3/SrTiO3 heterojunctions
DOI:10.1063/1.3622305 JN:APPLIED PHYSICS LETTERS PY:2011 TC:9 AU: Salje, Ekhard K. H.;Carpenter, Michael A.;
7:2:23:10 Ferroic switching, avalanches, and the Larkin length: Needle domains in LaAlO3
DOI:10.1063/1.3650475 JN:APPLIED PHYSICS LETTERS PY:2011 TC:12 AU: Harrison, Richard J.;Salje, Ekhard K. H.;
7:2:23:11 Strain rate dependence of twinning avalanches at high speed impact
DOI:10.1063/1.4873520 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Zhang, L.;Salje, E. K. H.;Ding, X.;Sun, J.;
7:2:23:12 Statistical Similarity between the Compression of a Porous Material and Earthquakes
DOI:10.1103/PhysRevLett.110.088702 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:22 AU: Baro, Jordi;Corral, Alvaro;Illa, Xavier;Planes, Antoni;Salje, Ekhard K. H.;Schranz, Wilfried;Soto-Parra, Daniel E.;Vives, Eduard;
7:2:23:13 Localizing sources of acoustic emission during the martensitic transformation
DOI:10.1103/PhysRevB.89.214118 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Niemann, R.;Kopecek, J.;Heczko, O.;Romberg, J.;Schultz, L.;Faehler, S.;Vives, E.;Manosa, L.;Planes, A.;
7:2:23:14 Local Symmetry Breaking in the Bulk and in Domain Boundaries: Breit-Wigner Damping of Phonons and Acoustic Resonances
DOI:10.1080/00150193.2012.678152 JN:FERROELECTRICS PY:2012 TC:0 AU: Salje, E. K. H.;Carpenter, M. A.;
7:2:23:15 Dynamic heat flux experiments in Cu67.64Zn16.71Al15.65: Separating the time scales of fast and ultra-slow kinetic processes in martensitic transformations
DOI:10.1063/1.3609239 JN:APPLIED PHYSICS LETTERS PY:2011 TC:14 AU: Romero, F. J.;Manchado, J.;Martin-Olalla, J. M.;Gallardo, M. C.;Salje, E. K. H.;
7:2:23:16 Noise and finite size effects in multiferroics with strong elastic interactions
DOI:10.1063/1.4802787 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Salje, E. K. H.;Ding, X.;Zhao, Z.;
7:2:23:17 Imaging the dynamics of martensitic transitions using acoustic emission
DOI:10.1103/PhysRevB.84.060101 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Vives, Eduard;Soto-Parra, Daniel;Manosa, Lluis;Romero, Ricardo;Planes, Antoni;
7:2:23:18 Simultaneous detection of acoustic emission and Barkhausen noise during the martensitic transition of a Ni-Mn-Ga magnetic shape-memory alloy
DOI:10.1103/PhysRevB.88.174108 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Baro, Jordi;Dixon, Steve;Edwards, Rachel S.;Fan, Yichao;Keeble, Dean S.;Manosa, Lluis;Planes, Antoni;Vives, Eduard;
7:2:23:19 Bimodal domain configuration and wedge formation in tetragonal Pb[Zr1-xTix]O-3 ferroelectrics
DOI:10.1016/j.commatsci.2013.07.020 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2014 TC:0 AU: Schmitt, Ljubomira Ana;Schrade, David;Kungl, Hans;Xu, Bai-Xiang;Mueller, Ralf;Hoffmann, Michael J.;Kleebe, Hans-Joachim;Fuess, Hartmut;
7:2:23:20 Tuning avalanche criticality: Acoustic emission during the martensitic transformation of a compressed Ni-Mn-Ga single crystal
DOI:10.1103/PhysRevB.86.214101 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;Phonon softening and dispersion in EuTiO3;PHYSICAL REVIEW B;86;22;220301;10.1103/PhysRevB.86.220301;DEC 4 2012;2012;We measured phonon dispersion in single-crystal EuTiO3 using inelastic;x-ray scattering. Astructural transition to an antiferrodistortive phase;was found at a critical temperature T-0 = 287 +/- 1K using powder and;single-crystal x-ray diffraction. Clear softening of the zone boundary;R-point q = (0.5 0.5 0.5) acoustic phonon shows this to be a displacive;transition. The mode energy plotted against reduced temperature could be;seen to nearly overlap that of SrTiO3, suggesting a universal scaling;relation. Phonon dispersion was measured along Gamma-X (0 0 0) -> (0.5 0;0). Mode eigenvectors were obtained from a shell model consistent with;the q dependence of intensity and energy, which also showed that the;dispersion is nominally the same as in SrTiO3 at room temperature, but;corrected for mass. The lowest-energy optical mode, determined to be of;Slater character, softens approximately linearly with temperature until;the 70-100 K range where the softening stops, and at low temperature,;the mode disperses linearly near the zone center.;7;0;0;0;7;1098-0121;WOS:000311910600001;;;J;Fock, J.;Leijnse, M.;Jennum, K.;Zyazin, A. S.;Paaske, J.;Hedegard, P.;Nielsen, M. Brondsted;van der Zant, H. S. J.;Manipulation of organic polyradicals in a single-molecule transistor;PHYSICAL REVIEW B;86;23;235403;10.1103/PhysRevB.86.235403;DEC 4 2012;2012;Inspired by cotunneling spectroscopy of spin-states in a single;OPE5-based molecule, we investigate the prospects for electric control;of magnetism in purely organic molecules contacted in a three-terminal;geometry. Using the gate electrode, the molecule is reversibly switched;between three different redox states, with magnetic spectra revealing;both ferromagnetic and antiferromagnetic exchange couplings on the;molecule. These observations are shown to be captured by an effective;low-energy Heisenberg model, which we substantiate microscopically by a;simple valence bond description of the molecule. These preliminary;findings suggest an interesting route towards functionalized all-organic;molecular magnetism.;Fock, Jeppe/A-9074-2011;Fock, Jeppe/0000-0002-7515-4026;3;0;0;0;3;1098-0121;WOS:000311911100003;;;J;Li, P. H. Y.;Bishop, R. F.;Campbell, C. E.;Farnell, D. J. J.;Goetze, O.;Richter, J.;Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice;PHYSICAL REVIEW B;86;21;214403;10.1103/PhysRevB.86.214403;DEC 4 2012;2012;We use the coupled-cluster method to study the zero-temperature;properties of an extended two-dimensional Heisenberg antiferromagnet;formed from spin-1/2 moments on an infinite spatially anisotropic kagome;lattice of corner-sharing isosceles triangles, with nearest-neighbor;bonds only. The bonds have exchange constants J(1) > 0 along two of the;three lattice directions and J(2) = kappa J(1) > 0 along the third. In;the classical limit, the ground-state (GS) phase for kappa < 1/2 has;collinear ferrimagnetic (Neel') order where the J(2)-coupled chain spins;are ferromagnetically ordered in one direction with the remaining spins;aligned in the opposite direction, while for kappa > 1/2 there exists an;infinite GS family of canted ferrimagnetic spin states, which are;energetically degenerate. For the spin-1/2 case, we find that quantum;analogs of both these classical states continue to exist as stable GS;phases in some regions of the anisotropy parameter kappa, namely, for 0;< kappa < kappa(c1) for the Neel' state and for (at least part of) the;region kappa > kappa(c2) for the canted phase. However, they are now;separated by a paramagnetic phase without either sort of magnetic order;in the region kappa(c1) < kappa < kappa(c2), which includes the;isotropic kagome point kappa = 1 where the stable GS phase is now;believed to be a topological (Z(2)) spin liquid. Our best numerical;estimates are kappa(c1) = 0.515 +/- 0.015 and kappa(c2) = 1.82 +/- 0.03.;Richter, Johannes/A-6339-2009; Bishop, Raymond/D-9715-2012;Bishop, Raymond/0000-0001-5565-0658;4;0;0;0;4;1098-0121;WOS:000311910100002;;;J;Monozon, B. S.;Schmelcher, P.;Bound and resonant impurity states in a narrow gapped armchair graphene;nanoribbon;PHYSICAL REVIEW B;86;24;245404;10.1103/PhysRevB.86.245404;DEC 4 2012;2012;An analytical study of discrete and resonant impurity quasi-Coulomb;states in a narrow gapped armchair graphene nanoribbon (GNR) is;performed. We employ the adiabatic approximation assuming that the;motions parallel ("slow") and perpendicular ("fast") to the boundaries;of the ribbon are separated adiabatically. The energy spectrum comprises;a sequence of series of quasi-Rydberg levels relevant to the slow motion;adjacent from the low energies to the size-quantized levels associated;with the fast motion. Only the series attributed to the ground;size-quantized subband is really discrete, while others corresponding to;the excited subbands consist of quasidiscrete (Fano resonant) levels of;nonzero energetic widths, caused by the coupling with the states of the;continuous spectrum branching from the low lying subbands. In the;two-and three-subband approximation the spectrum of the complex energies;of the impurity electron is derived in an explicit form. Narrowing the;GNR leads to an increase of the binding energy and the resonant width;both induced by the finite width of the ribbon. Displacing the impurity;center from the midpoint of the GNR causes the binding energy to;decrease, while the resonant width of the first excited Rydberg series;increases. As for the second excited series, their widths become;narrower with the shift of the impurity. A successful comparison of our;analytical results with those obtained by other theoretical and;experimental methods is presented. Estimates of the binding energies and;the resonant widths taken for the parameters of typical GNRs show that;not only the strictly discrete but also some resonant states are quite;stable and could be studied experimentally in doped GNRs.;Monozon, Boris/E-6412-2012; Schmelcher, Peter/D-9592-2014;Schmelcher, Peter/0000-0002-2637-0937;0;0;0;0;0;1098-0121;WOS:000311911900002;;;J;Thiaville, Andre;Vukadinovic, Nicolas;Acher, Olivier;Sum rule for the magnetic permeability of arbitrary textures;PHYSICAL REVIEW B;86;21;214404;10.1103/PhysRevB.86.214404;DEC 4 2012;2012;The f-sum rule for the magnetic permeability, derived previously for an;assembly of isolated macrospins, is generalized for an arbitrary;nonuniform three-dimensional magnetization texture, in which the;magnetizations at different points are coupled by exchange and;magnetostatic interactions. The sum value depends only on the magnetic;texture at rest. It has no direct contribution from the exchange energy,;but depends on the anisotropy, applied field, and demagnetizing;energies. The derived formula is tested against numerical calculations;for several complex and very different magnetization structures. This;generalized sum rule should be useful for experiments, numerical;simulations, and metrology.;1;0;0;0;1;1098-0121;WOS:000311910100003;;;J;Troc, R.;Gajek, Z.;Pikul, A.;Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as;seen in magnetic, transport, and specific-heat data;PHYSICAL REVIEW B;86;22;224403;10.1103/PhysRevB.86.224403;DEC 4 2012;2012;Single-crystalline UGe2 was investigated by means of magnetic;susceptibility, magnetization, electrical resistivity,;magnetoresistivity, and specific-heat measurements, all carried out in;wide temperature and magnetic-field ranges. An analysis of the obtained;data points out the dual behavior of the 5f electrons in this compound,;i. e., possessing simultaneously local and itinerant characters in two;substates. The magnetic and thermal characteristics of the compound were;modeled using the effective crystal field (CF) in the intermediate;coupling scheme and initial parameters obtained in the angular overlap;model. Various configurations of the localized 5f(n) (n = 1, 2, and 3);electrons on the uranium ion have been probed. The best results were;obtained for the 5f(2) (U4+) configuration. The CF parameters obtained;in the paramagnetic region allowed us to reproduce satisfactorily the;experimental findings in the whole temperature range including also the;magnitude of the ordered magnetic moment of uranium at low temperature.;The electrical resistivity data after subtraction of the phonon;contribution reveal the presence of a Kondo-like interaction in UGe2;supporting the idea of partial localization of the 5f electrons in UGe2.;On the other hand, magnetoresistivity and an excess of specific heat;originated from the hybridized (itinerant) part of 5f states, apparent;around the characteristic temperature T*, give a distinct signature for;the presence of the coupled charge-density wave and spin-density wave;fluctuations over all the ferromagnetic region with a maximum at T*,;postulated earlier in the literature.;7;0;0;0;7;1098-0121;WOS:000311910600004;;;J;Williams, T. J.;Yamani, Z.;Butch, N. P.;Luke, G. M.;Maple, M. B.;Buyers, W. J. L.;Neutron scattering study of URu2-xRexSi2 (x=0.10): Driving order towards;quantum criticality;PHYSICAL REVIEW B;86;23;235104;10.1103/PhysRevB.86.235104;DEC 4 2012;2012;We report inelastic neutron scattering measurements in the hidden order;state of URu2-xRexSi2 with x = 0.10. We observe that towards the;ferromagnetic quantum critical point induced by the negative chemical;pressure of Re doping, the gapped incommensurate fluctuations are robust;and comparable in intensity to the parent material. As the Re doping;moves the system toward the quantum critical point, the commensurate;spin fluctuations related to hidden order weaken, display a shortened;lifetime, and slow down. Halfway to the quantum critical point, the;hidden order phase survives, albeit weakened, in contrast to its;destruction by hydrostatic pressure and by positive chemical pressure;from Rh doping.;yamani, zahra/B-7892-2012; Luke, Graeme/A-9094-2010;0;0;0;0;0;1098-0121;WOS:000311911100001;;;J;Wolfowicz, Gary;Simmons, Stephanie;Tyryshkin, Alexei M.;George, Richard E.;Riemann, Helge;Abrosimov, Nikolai V.;Becker, Peter;Pohl, Hans-Joachim;Lyon, Stephen A.;Thewalt, Mike L. W.;Morton, John J. L.;Decoherence mechanisms of Bi-209 donor electron spins in isotopically;pure Si-28;PHYSICAL REVIEW B;86;24;245301;10.1103/PhysRevB.86.245301;DEC 4 2012;2012;Bismuth (Bi-209) is the deepest group V donor in silicon and possesses;the most extreme characteristics such as a 9/2 nuclear spin and a 1.5;GHz hyperfine coupling. These lead to several potential advantages for a;Si:Bi donor electron spin qubit compared to the more common phosphorus;donor. Most previous studies on Si: Bi have been performed using natural;silicon where linewidths and electron spin coherence times are limited;by the presence of Si-29 impurities. Here, we describe electron spin;resonance (ESR) and electron nuclear double resonance (ENDOR) studies on;Bi-209 in isotopically pure Si-28. ESR and ENDOR linewidths, transition;probabilities, and coherence times are understood in terms of the spin;Hamiltonian parameters showing a dependence on field and m(I) of the;Bi-209 nuclear spin. We explore various decoherence mechanisms;applicable to the donor electron spin, measuring coherence times up to;700 ms at 1.7 K at X band, comparable with Si-28:P. Importantly, the;coherence times we measure follow closely to the calculated field;gradients of the transition frequencies (df/dB), providing a strong;motivation to explore "clock" transitions where coherence lifetimes;could be further enhanced.;Morton, John/I-3515-2013;6;1;0;0;6;1098-0121;WOS:000311911900001;;;J;Armbruster, Oskar;Lungenschmied, Christoph;Bauer, Siegfried;Investigation of trap states and mobility in organic semiconductor;devices by dielectric spectroscopy: Oxygen-doped P3HT:PCBM solar cells;PHYSICAL REVIEW B;86;23;235201;10.1103/PhysRevB.86.235201;DEC 3 2012;2012;We investigate the dielectric response of solar cell devices based on;oxygen-doped poly(3-hexylthiophene):[6,6]-phenyl-C-61-butyric acid;methyl ester (P3HT:PCBM) blends as a function of temperature between 133;K and 303 K. The spectra are analyzed using a recently introduced model;[O. Armbruster, C. Lungenschmied, and S. Bauer, Phys. Rev. B 84, 085208;(2011)] which is based on a trapping and reemission mechanism of charge;carriers. A dominating trap depth of 130 meV is determined and the;broadening of this trap level identified as purely thermal. In addition;we estimate the density of charge carriers after doping as well as their;mobility. We show that the concentration of mobile holes approximately;doubles by heating the device from the lowest to the highest measured;temperature. This is indicative of a second, shallow trap level of;approximately 14 meV. Dielectric spectroscopy hence proves to be a;valuable tool to assess device parameters such as dopant concentration,;charge carrier transport characteristics, and mobility which are of;crucial interest for understanding degradation in organic semiconductor;devices.;Bauer, Siegfried/A-2354-2009; Armbruster, Oskar/G-1154-2014;Armbruster, Oskar/0000-0002-4235-4451;3;0;0;0;3;1098-0121;WOS:000311806300004;;;J;Chen, Bo;Abbey, Brian;Dilanian, Ruben;Balaur, Eugeniu;van Riessen, Grant;Junker, Mark;Tran, Chanh Q.;Jones, Michael W. M.;Peele, Andrew G.;McNulty, Ian;Vine, David J.;Putkunz, Corey T.;Quiney, Harry M.;Nugent, Keith A.;Diffraction imaging: The limits of partial coherence;PHYSICAL REVIEW B;86;23;235401;10.1103/PhysRevB.86.235401;DEC 3 2012;2012;Coherent diffraction imaging (CDI) typically requires that the source;should be highly coherent both laterally and longitudinally. In this;paper, we demonstrate that lateral and longitudinal partial coherence;can be successfully included in a CDI reconstruction algorithm;simultaneously using experimental x-ray data. We study the interplay;between lateral partial coherence and longitudinal partial coherence and;their relative influence on CDI. We compare our results against the;coherence criteria published by Spence et al. [Spence et al.,;Ultramicroscopy 101, 149 (2004)] and show that for iterative ab initio;phase-recovery algorithms based on those typically used in CDI and in;cases where the coherence properties are known, we are able to relax the;minimal coherence requirements by a factor of 2 both laterally and;longitudinally, potentially yielding significant reduction in exposure;time.;Jones, Michael/M-6895-2013; Abbey, Brian/D-3274-2011;Jones, Michael/0000-0002-0720-8715;;5;1;0;0;5;1098-0121;WOS:000311806300008;;;J;Gawarecki, Krzysztof;Lueker, Sebastian;Reiter, Doris E.;Kuhn, Tilmann;Glaessl, Martin;Axt, Vollrath Martin;Grodecka-Grad, Anna;Machnikowski, Pawel;Dephasing in the adiabatic rapid passage in quantum dots: Role of;phonon-assisted biexciton generation;PHYSICAL REVIEW B;86;23;235301;10.1103/PhysRevB.86.235301;DEC 3 2012;2012;We study the evolution of an exciton confined in a quantum dot;adiabatically controlled by a frequency-swept (chirped) laser pulse in;the presence of carrier-phonon coupling. We focus on the dynamics;induced by a linearly polarized beam and analyze the decoherence due to;phonon-assisted biexciton generation. We show that if the biexciton;state is shifted down by a few meV, as is typically the case, then the;resulting decoherence is strong even at low temperatures. As a result,;efficient state preparation is restricted to a small parameter area;corresponding to low temperatures, positive chirps, and moderate pulse;areas.;Kuhn, Tilmann/C-1190-2008;6;0;0;0;6;1098-0121;WOS:000311806300006;;;J;Hellstrom, Matti;Spangberg, Daniel;Hermansson, Kersti;Broqvist, Peter;Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface;PHYSICAL REVIEW B;86;23;235302;10.1103/PhysRevB.86.235302;DEC 3 2012;2012;The formation of Cu dimers on the ZnO(10 (1) over bar0) surface has been;studied using hybrid density functional theory. Depending on the;adsorption site, Cu atoms are found to adsorb with either oxidation;state 0 or +1. In the latter case, the Cu atom has donated an electron;to the ZnO conduction band. The two modes of adsorption display similar;stability at low coverages, while at higher coverages the neutral;species is more stable. Single Cu atoms diffuse across the ZnO(10 (1);over bar0) surface with small barriers of migration (0.3-0.4 eV) along;ZnO[1 (2) over bar 10], repeatedly switching their oxidation states,;while the barrier along ZnO[0001] is significantly higher (>1.5 eV). The;formation of a Cu dimer from two adsorbed Cu atoms is energetically;favorable with two competing structures of similar stability, both being;charge neutral. The minimum energy paths for Cu atom diffusion and dimer;formation are characterized by at least one of the two Cu atoms being in;oxidation state 0.;5;0;0;0;5;1098-0121;WOS:000311806300007;;;J;Huang, Yu-Kun;Chen, Pochung;Kao, Ying-Jer;Accurate computation of low-temperature thermodynamics for quantum spin;chains;PHYSICAL REVIEW B;86;23;235102;10.1103/PhysRevB.86.235102;DEC 3 2012;2012;We apply the biorthonormal transfer-matrix renormalization group (BTMRG);[Huang, Phys. Rev. E 83, 036702 (2011)] to study low-temperature;properties of quantum spin chains. Simulations on anisotropic Heisenberg;spin-1/2 chains demonstrate that the BTMRG outperforms the conventional;transfer-matrix renormalization group by successfully accessing far;lower temperature than previously reported, while retaining the same;level of accuracy. The power of the method is further illustrated by the;calculation of the low-temperature specific heat for a frustrated spin;chain.;Kao, Ying Jer/B-5297-2009; Chen, Pochung/G-1241-2010;Kao, Ying Jer/0000-0002-3329-6018;;4;0;0;0;4;1098-0121;WOS:000311806300002;;;J;Kim, Jin Hee;Rhyee, Jong-Soo;Kwon, Yong Seung;Magnon gap formation and charge density wave effect on thermoelectric;properties in the SmNiC2 compound;PHYSICAL REVIEW B;86;23;235101;10.1103/PhysRevB.86.235101;DEC 3 2012;2012;We studied the electrical, thermal, and thermoelectric properties of the;polycrystalline compound of SmNiC2. The electrical resistivity and;magnetization measurement show the interplay between the charge density;wave at T-CDW = 150 K and the ferromagnetic ordering of T-c = 18 K.;Below the ferromagnetic transition temperature, we observed the magnon;gap formation of Delta similar or equal to 4.3- 4.4 meV by rho(T) and;C-p (T) measurements. The charge density wave is attributed to the;increase of the Seebeck coefficient resulting in the increase of the;power factor S-2 sigma. The thermal conductivity anomalously increases;with increasing temperature along the whole measured temperature range,;which implies the weak attribution of Umklapp phonon scattering. The;thermoelectric figure of merit ZT significantly increases due to the;increase of the power factor at T-CDW = 150 K. Here we argue that the;competing interaction between electron-phonon and electron-magnon;couplings exhibits the unconventional behavior of electrical and thermal;properties.;6;0;1;0;6;1098-0121;WOS:000311806300001;;;J;Osorio-Guillen, J. M.;Larrauri-Pizarro, Y. D.;Dalpian, G. M.;Pressure-induced metal-insulator transition and absence of magnetic;order in FeGa3 from a first-principles study;PHYSICAL REVIEW B;86;23;235202;10.1103/PhysRevB.86.235202;DEC 3 2012;2012;The intermetallic compound FeGa3 is a narrow-gap semiconductor with a;measured gap between 0.2 and 0.6 eV. The presence of iron d states on;the top of the valence band and on the bottom of the conduction band,;together with its moderate electronic correlation (U/W similar to 0.6),;have led to the question of whether there is magnetic order in this;compound. We have examined the possible presence of magnetism in FeGa3;as well as its electronic structure at high pressures, using the density;functional theory (DFT) + U method with the intermediated;double-counting scheme. We have found that for an optimized value of the;Yukawa screening length., there is no magnetic moment on the iron ions;(mu = 0), implying that FeGa3 is nonmagnetic. We have also found that;around a pressure of 25 GPa a metal-insulator transition takes place.;Osorio-Guillen, Jorge/B-7587-2008; Dalpian, Gustavo/B-9746-2008;Osorio-Guillen, Jorge/0000-0002-7384-8999;;3;0;0;0;3;1098-0121;WOS:000311806300005;;;J;Yuan, Xun;Zhang, Yubo;Abtew, Tesfaye A.;Zhang, Peihong;Zhang, Wenqing;VO2: Orbital competition, magnetism, and phase stability;PHYSICAL REVIEW B;86;23;235103;10.1103/PhysRevB.86.235103;DEC 3 2012;2012;The relative phase stability of VO2 is one of the most fundamental;issues concerning the metal-insulator transition in this material but;has been so far largely unexplored theoretically. We investigate the;relative stability of various phases of VO2 using different levels of;energy functionals within density functional theory (DFT). It is found;that straightforward applications of several popular energy functionals,;including the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, result in;a wrong prediction for the ground state of VO2. In particular, although;the HSE and DFT + U methods are able to produce a band gap in the M-1;phase, they strongly favor the formation of local magnetic moments, a;result that clearly disagrees with experiments. We also examine the;effect of the occupation and the redistribution of the d derived t(2g);(i.e., d(xz), d(yz), and d(x2-y2)) orbitals of V atoms on the calculated;relative phase stability of VO2. We find that a small change in d;occupation can result in a drastically different theoretical prediction.;With the introduction of an orbital-dependent potential, a complete;separation between the d(x2-y2) derived valence band and d(xz) and d(yz);derived conduction bands in the M-1 phase is achieved, resulting in a;slight redistribution of the d occupation and a more faithful account of;the polarization of the t(2g) orbitals. This slight rearrangement of the;d occupation also leads to a relative phase stability of VO2 ( including;structural and magnetic phases) that agrees well with experiment.;Zhang, Wenqing/K-1236-2012; Zhang, Peihong/D-2787-2012;4;0;0;0;4;1098-0121;WOS:000311806300003;;;J;Campi, Davide;Bernasconi, Marco;Benedek, Giorgio;Electronic properties and lattice dynamics of the As(111) surface;PHYSICAL REVIEW B;86;24;245403;10.1103/PhysRevB.86.245403;DEC 3 2012;2012;The bulk and surface electronic and structural properties of As(111);have been studied with first-principles methods. The inclusion of;spin-orbit interaction reveals that As shares the same topologically;nontrivial order of the bulk electronic bands of Sb which gives rise to;two spin-polarized surface states connecting valence-like and;conduction-like states. Bulk and surface phonons have been calculated by;means of density functional perturbation theory. The surface phonon;bands reveal features related to a remarkable stiffening of the surface;bilayer with respect to the bulk ones similarly to what is measured for;the Bi(111) and to what is expected for the Sb(111) surface.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000311806500003;;;J;Chakraborty, Akash;Wenk, Paul;Bouzerar, Richard;Bouzerar, Georges;Spontaneous magnetization in the presence of nanoscale inhomogeneities;in diluted magnetic systems;PHYSICAL REVIEW B;86;21;214402;10.1103/PhysRevB.86.214402;DEC 3 2012;2012;The presence of nanoscale inhomogeneities has been experimentally;evidenced in several diluted magnetic systems, which in turn often leads;to interesting physical phenomena. However, a proper theoretical;understanding of the underlying physics is lacking in most of the cases.;Here, we present a detailed and comprehensive theoretical study of the;effects of nanoscale inhomogeneities on the temperature-dependent;spontaneous magnetization in diluted magnetic systems, which is found to;exhibit an unusual and unconventional behavior. The effects of impurity;clustering on the magnetization response have hardly been studied until;now. We show that nanosized clusters of magnetic impurities can lead to;drastic effects on the magnetization compared to that of homogeneously;diluted compounds. The anomalous nature of the magnetization curves;strongly depends on the relative concentration of the inhomogeneities as;well as the effective range of the exchange interactions. In addition,;we also provide a systematic discussion of the nature of the;distributions of the local magnetizations.;3;0;0;0;3;1098-0121;WOS:000311805500004;;;J;Dmitriev, A. P.;Gornyi, I. V.;Polyakov, D. G.;Coulomb drag between ballistic quantum wires;PHYSICAL REVIEW B;86;24;245402;10.1103/PhysRevB.86.245402;DEC 3 2012;2012;We develop a kinetic equation description of Coulomb drag between;ballistic one-dimensional electron systems, which enables us to;demonstrate that equilibration processes between right- and left-moving;electrons are crucially important for establishing dc drag. In;one-dimensional geometry, this type of equilibration requires either;backscattering near the Fermi level or scattering with small-momentum;transfer near the bottom of the electron spectrum. Importantly, pairwise;forward scattering in the vicinity of the Fermi surface alone is not;sufficient to produce a nonzero dc drag resistivity rho(D), in contrast;to a number of works that have studied Coulomb drag due to this;mechanism of scattering before. We show that slow equilibration between;two subsystems of electrons of opposite chirality, "bottlenecked" by;inelastic collisions involving cold electrons near the bottom of the;conduction band, leads to a strong suppression of Coulomb drag, which;results in an activation dependence of rho(D) on temperature, instead of;the conventional power law. We demonstrate the emergence of a drag;regime in which rho(D) does not depend on the strength of interwire;interactions, while depending strongly on the strength of interactions;inside the wires.;4;0;0;0;4;1098-0121;WOS:000311806500002;;;J;Etz, Corina;Costa, Marcio;Eriksson, Olle;Bergman, Anders;Accelerating the switching of magnetic nanoclusters by anisotropy-driven;magnetization dynamics;PHYSICAL REVIEW B;86;22;224401;10.1103/PhysRevB.86.224401;DEC 3 2012;2012;In this work, the magnetization dynamics of clusters supported on;nonmagnetic substrates is shown to exhibit a complex response when;subjected to external magnetic fields. The field-driven magnetization;reversal of small Co clusters deposited on a Cu(111) surface has been;studied by means of first-principles calculations and atomistic spin;dynamics simulations. For applied fields ranging from 1 to 10 Tesla, we;observe a coherent magnetization reversal with switching times in the;range of several tenths of picoseconds to several nanoseconds, depending;on the field strength. We find a nonmonotonous dependence of the;switching times with respect to the strength of the applied field, which;we prove has its origin in the complex magnetic anisotropy landscape of;these low-dimensional systems. This effect is shown to be stable for;temperatures around 10 K, and is possible to realize over a range of;exchange interactions and anisotropy landscapes. Possible experimental;routes to achieve this unique switching behavior are discussed.;Bergman, Anders/H-7996-2012; Etz, Corina/E-3112-2014; Eriksson, Olle/E-3265-2014;Bergman, Anders/0000-0002-5134-1978;;3;1;0;0;3;1098-0121;WOS:000311805700003;;;J;Harada, S.;Zhou, J. J.;Yao, Y. G.;Inada, Y.;Zheng, Guo-qing;Abrupt enhancement of noncentrosymmetry and appearance of a spin-triplet;superconducting state in Li-2(Pd1-xPtx)(3)B beyond x=0.8;PHYSICAL REVIEW B;86;22;220502;10.1103/PhysRevB.86.220502;DEC 3 2012;2012;We report synthesis, Pt-195, B-11, and Li-7 NMR measurements, and;first-principles band calculations for noncentrosymmetric;superconductors Li-2(Pd1-xPtx)(3)B (x = 0, 0.2, 0.5, 0.8, 0.84, 0.9, and;1). For 0 <= x <= 0.8, the spin-lattice relaxation rate 1/T-1 shows a;clear coherence peak just below T-c, decreasing exponentially at low;temperature, and the Knight shift K-195 decreases below Tc. For x = 0.9;and 1.0, in contrast, 1/T-1 shows no coherence peak but a T-3 variation;and K-195 remains unchanged across T-c. These results indicate that the;superconducting state changes drastically from a spin-singlet dominant;to a spin-triplet dominant state at x = 0.8. We find that the distortion;of B(Pt,Pd)(6) increases abruptly above x = 0.8, which leads to an;abrupt enhancement of the asymmetric spin-orbit coupling as confirmed by;band calculation. Such structure distortion that enhances the extent of;inversion-symmetry breaking is primarily responsible for the pairing;symmetry evolution. The insight obtained here provides a guideline for;searching for noncentrosymmetric superconductors with a large;spin-triplet component.;Yao, Yugui/A-8411-2012; Zheng, Guo-qing/B-1524-2011;6;0;0;0;6;1098-0121;WOS:000311805700002;;;J;Huang, C. L.;Fritsch, V.;Kittler, W.;v. Loehneysen, H.;Low-temperature properties of CeAu2Ge2 single crystals grown from Au-Ge;and Sn flux;PHYSICAL REVIEW B;86;21;214401;10.1103/PhysRevB.86.214401;DEC 3 2012;2012;The specific heat of CeAu2Ge2 single crystals grown from Au-Ge (AGF) or;Sn flux (SF) was measured at temperatures T between 1.8 and 200 K. Two;magnetic transitions are observed in the zero-field specific heat at;12.1 and 14.5 K in the AGF sample, while only a single sharp transition;at 9.2 K is seen in the SF sample, confirming our recent susceptibility;results [Fritsch et al., Phys. Rev. B 84, 104446 (2011)]. We observe;several field-induced transitions in the magnetoresistance of the AGF;sample measured at 1.6 and 2.3 K in accordance with the B-T phase;diagram constructed from isothermal magnetization curves M(B). In;addition, we have measured M(B) under hydrostatic pressure P up to 10.5;kbar. The Neel temperature T-N increases linearly with P at a small rate;of 0.049 K/kbar, which suggests that, if T-N(P) is attributed to a pure;volume effect, this compound is close to the maximum transition;temperature of the Doniach diagram. The transition fields B-M between;the field-induced phases increase linearly with P as well. The;comparable Gruneisen parameters of T-N and B-M indicate that the energy;scale depending on the sample's volume is given by the antiferromagnetic;correlations and not by the Kondo effect. We discuss possible reasons;for the different magnetic behavior of AGF and SF samples.;Huang, Chien-Lung/O-2028-2013;2;0;0;0;2;1098-0121;WOS:000311805500003;;;J;Jadczak, J.;Kubisa, M.;Ryczko, K.;Bryja, L.;Potemski, M.;High magnetic field spin splitting of excitons in asymmetric GaAs;quantum wells;PHYSICAL REVIEW B;86;24;245401;10.1103/PhysRevB.86.245401;DEC 3 2012;2012;Low-temperature photoluminescence from high-quality GaAs quantum wells,;asymmetrically doped with carbon, are investigated under high magnetic;fields (up to 20 T) directed along the [001] growth axis. At higher;fields, in the sigma(-) polarized emission, we observe two well-resolved;lines which are attributed to the recombination of neutral (X) and;charged (X+) excitons. In contrast, only the neutral exciton line is;observed for the sigma(+) polarization. From the difference of the X;line positions for the two polarizations we determine the effective;Zeeman splitting of neutral excitons and then the g factor g(h) of;confined holes. We find that g(h) depends substantially on the well size;and changes the sign at moderate magnetic fields. To explain the;experimental results, the valence Landau levels are calculated using the;Luttinger model beyond the axial approximation. We demonstrate that;mainly the excited hole levels contribute to the excitonic state at;higher magnetic fields. Due to their light-hole character, resulting;from the valence-band mixing, the excited hole states have a sizable;overlap with the electron states confined far from the doped barrier.;The calculated values of g(h) are in an excellent quantitative agreement;with the experimental data.;2;0;0;0;2;1098-0121;WOS:000311806500001;;;J;Lane, Nina J.;Vogel, Sven C.;Hug, Gilles;Togo, Atsushi;Chaput, Laurent;Hultman, Lars;Barsoum, Michel W.;Neutron diffraction measurements and first-principles study of thermal;motion of atoms in select M(n+1)AX(n) and binary MX transition-metal;carbide phases;PHYSICAL REVIEW B;86;21;214301;10.1103/PhysRevB.86.214301;DEC 3 2012;2012;Herein, we compare the thermal vibrations of atoms in select ternary;carbides with the formula M(n+1)AX(n) ("MAX phases," M = Ti, Cr; A = Al,;Si, Ge; X = C, N) as determined from first-principles phonon;calculations to those obtained from high-temperature neutron powder;diffraction studies. The transition metal carbides TiC, TaC, and WC are;also studied to test our methodology on simpler carbides. Good;qualitative and quantitative agreement is found between predicted and;experimental values for the binary carbides. For all the MAX phases;studied-Ti3SiC2, Ti3GeC2, Ti2AlN, Cr2GeC and Ti4AlN3-density functional;theory calculations predict that the A element vibrates with the highest;amplitude and does so anisotropically with a higher amplitude within the;basal plane, which is in line with earlier results from high-temperature;neutron diffraction studies. In some cases, there are quantitative;differences in the absolute values between the theoretical and;experimental atomic displacement parameters (ADPs), such as reversal of;anisotropy or a systematic offset of temperature-dependent ADPs. The;mode-dependent Gruneisen parameters are also computed to explore the;anharmonicity in the system.;Lujan Center, LANL/G-4896-2012;4;0;0;0;4;1098-0121;WOS:000311805500002;;;J;Niemann, R.;Baro, J.;Heczko, O.;Schultz, L.;Faehler, S.;Vives, E.;Manosa, L.;Planes, A.;
7:2:23:21 Dynamics of stress-induced domain wall motion
DOI:10.1103/PhysRevB.85.144411 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Bryan, M. T.;Dean, J.;Allwood, D. A.;
7:2:23:22 Magnetization dynamics of a CrO2 grain studied by micro-Hall magnetometry
DOI:10.1063/1.3467870 JN:APPLIED PHYSICS LETTERS PY:2010 TC:4 AU: Das, P.;Porrati, F.;Wirth, S.;Bajpai, A.;Huth, M.;Ohno, Y.;Ohno, H.;Mueller, J.;
7:2:23:23 On the influence of nanometer-thin antiferromagnetic surface layer on ferromagnetic CrO2
DOI:10.1063/1.4751350 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Das, P.;Bajpai, A.;Ohno, Y.;Ohno, H.;Mueller, J.;
7:2:23:24 Direct Measurement of Microstructural Avalanches during the Martensitic Transition of Cobalt Using Coherent X-Ray Scattering
DOI:10.1103/PhysRevLett.107.015702 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:4 AU: Sanborn, Christopher;Ludwig, Karl F.;Rogers, Michael C.;Sutton, Mark;
7:2:23:25 Rupture Cascades in a Discrete Element Model of a Porous Sedimentary Rock
DOI:10.1103/PhysRevLett.112.065501 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:3 AU: Kun, Ferenc;Varga, Imre;Lennartz-Sassinek, Sabine;Main, Ian G.;
7:2:23:26 Multiple phase transitions found in a magnetic Heusler alloy and thermodynamics of their magnetic internal energy
DOI:10.1103/PhysRevB.81.174405 JN:PHYSICAL REVIEW B PY:2010 TC:6 AU: Armstrong, Jason N.;Felske, James D.;Chopra, Harsh Deep;
7:2:23:27 Effect of thermal and mechanical cycling on the elastic and dissipative energy in CuAl(11.5wt%)Ni(5.0wt%) shape memory alloy
DOI:10.1016/j.jallcom.2012.06.108 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:0 AU: Elrasasi, T. Y.;Dobroka, M. M.;Daroczi, L.;Beke, D. L.;
7:2:23:28 Acoustic emission in martensitic transformations
DOI:10.1016/j.jallcom.2011.10.082 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:5 AU: Planes, Antoni;Manosa, Lluis;Vives, Eduard;
7:2:23:29 Acoustic Emission Monitoring of the Syracuse Athena Temple: Scale Invariance in the Timing of Ruptures
DOI:10.1103/PhysRevLett.106.108503 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:9 AU: Niccolini, G.;Carpinteri, A.;Lacidogna, G.;Manuello, A.;
7:2:23:30 Damage-Cluster Distributions and Size Effect on Strength in Compressive Failure
DOI:10.1103/PhysRevLett.108.225502 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:11 AU: Girard, Lucas;Weiss, Jerome;Amitrano, David;
7:2:23:31 Dynamics in the Sherrington-Kirkpatrick Ising spin glass at and above T-g
DOI:10.1103/PhysRevB.84.054442 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Billoire, Alain;Campbell, I. A.;
7:2:23:32 Universal Critical Dynamics in High Resolution Neuronal Avalanche Data
DOI:10.1103/PhysRevLett.108.208102 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:33 AU: Friedman, Nir;Ito, Shinya;Brinkman, Braden A. W.;Shimono, Masanori;DeVille, R. E. Lee;Dahmen, Karin A.;Beggs, John M.;Butler, Thomas C.;
7:2:23:33 Temporal and Spacial Evolution of Bursts in Creep Rupture
DOI:10.1103/PhysRevLett.111.084302 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:2 AU: Danku, Zsuzsa;Kun, Ferenc;
7:2:24:1 Photochemical Reactivity of Titania Films on BaTiO3 Substrates: Origin of Spatial Selectivity
DOI:10.1021/cm1018025 JN:CHEMISTRY OF MATERIALS PY:2010 TC:35 AU: Burbure, Nina V.;Salvador, Paul A.;Rohrer, Gregory S.;
7:2:24:2 Spatially selective visible light photocatalytic activity of TiO2/BiFeO3 heterostructures
DOI:10.1039/c0jm04313c JN:JOURNAL OF MATERIALS CHEMISTRY PY:2011 TC:33 AU: Zhang, Yiling;Schultz, Andrew M.;Salvador, Paul A.;Rohrer, Gregory S.;
7:2:24:3 Heterostructured Ceramic Powders for Photocatalytic Hydrogen Production: Nanostructured TiO2 Shells Surrounding Microcrystalline (Ba,Sr)TiO3 Cores
DOI:10.1111/j.1551-2916.2012.05076.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:33 AU: Li, Li;Rohrer, Gregory S.;Salvador, Paul A.;
7:2:24:4 Effect of Crystal and Domain Orientation on the Visible-Light Photochemical Reduction of Ag on BiFeO3
DOI:10.1021/am200127c JN:ACS APPLIED MATERIALS & INTERFACES PY:2011 TC:16 AU: Schultz, Andrew M.;Zhang, Yiling;Salvador, Paul A.;Rohrer, Gregory S.;
7:2:24:5 Photochemical Reactivity of Titania Films on BaTiO3 Substrates: Influence of Titania Phase and Orientation
DOI:10.1021/cm1018019 JN:CHEMISTRY OF MATERIALS PY:2010 TC:24 AU: Burbure, Nina V.;Salvador, Paul A.;Rohrer, Gregory S.;
7:2:24:6 Combinatorial substrate epitaxy: A high-throughput method for determining phase and orientation relationships and its application to BiFeO3/TiO2 heterostructures
DOI:10.1016/j.actamat.2012.07.060 JN:ACTA MATERIALIA PY:2012 TC:13 AU: Zhang, Yiling;Schultz, Andrew M.;Li, Li;Chien, Harry;Salvador, Paul A.;Rohrer, Gregory S.;
7:2:24:7 Composition Dependence of the Photochemical reduction of Ag by Ba1-xSrxTiO3
DOI:10.1021/cm100718t JN:CHEMISTRY OF MATERIALS PY:2010 TC:19 AU: Bhardwaj, Abhilasha;Burbure, Nina V.;Gamalski, Andrew;Rohrer, Gregory S.;
7:2:24:8 Composition dependence of the photochemical reduction of Ag+ by as-grown Pb(ZrxTi1-x)O-3 films on indium tin oxide electrode
DOI:10.1063/1.4819490 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Zhang, Man;Jiang, Chunxiang;Dong, Wen;Zheng, Fengang;Fang, Liang;Su, Xiaodong;Shen, Mingrong;
7:2:24:9 Identifying Potential BO2 Oxide Polymorphs for Epitaxial Growth Candidates
DOI:10.1021/am4059149 JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:4 AU: Mehta, Prateek;Salvador, Paul A.;Kitchin, John R.;
7:2:24:10 Controlling Polarization Dependent Reactions to Fabricate Multi-Component Functional Nanostructures
DOI:10.1002/adfm.201101673 JN:ADVANCED FUNCTIONAL MATERIALS PY:2011 TC:9 AU: Conklin, David;Park, Tae-Hong;Nanayakkara, Sanjini;Therien, Michael J.;Bonnell, Dawn A.;
7:2:24:11 BiFeO3/La0.7Sr0.3MnO3 heterostructures deposited on spark plasma sintered LaAlO3 substrates
DOI:10.1063/1.4867021 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Pravarthana, D.;Trassin, M.;Chu, Jiun Haw;Lacotte, M.;David, A.;Ramesh, R.;Salvador, P. A.;Prellier, W.;
7:2:24:12 Enhanced Visible-Photocatalytic Activity of Anodic TiO2 Nanotubes Film via Decoration with CuInSe2 Nanocrystals
DOI:10.1021/am403264q JN:ACS APPLIED MATERIALS & INTERFACES PY:2013 TC:4 AU: Liao, Yulong;Zhang, Huaiwu;Zhong, Zhiyong;Jia, Lijun;Bai, Feiming;Li, Jie;Zhong, Peng;Chen, Hua;Zhang, Jin;
7:2:24:13 TiO2/Ferroelectric Heterostructures as Dynamic Polarization-Promoted Catalysts for Photochemical and Electrochemical Oxidation of Water
DOI:10.1103/PhysRevLett.112.196102 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:2 AU: Lee, Jun Hee;Selloni, Annabella;
7:2:24:14 Interface control of surface photochemical reactivity in ultrathin epitaxial ferroelectric films
DOI:10.1063/1.4802885 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Chen, Jason;Lu, Haidong;Liu, Heng-Jui;Chu, Ying-Hao;Dunn, Steve;Ostrikov, Kostya (Ken);Gruverman, Alexei;Valanoor, Nagarajan;
7:2:24:15 Heterostructured (Ba,Sr)TiO3/TiO2 core/shell photocatalysts: Influence of processing and structure on hydrogen production
DOI:10.1016/j.ijhydene.2013.03.130 JN:INTERNATIONAL JOURNAL OF HYDROGEN ENERGY PY:2013 TC:12 AU: Li, Li;Liu, Xuan;Zhang, Yiling;Salvador, Paul A.;Rohrer, Gregory S.;
7:2:24:16 Eutaxial growth of hematite Fe2O3 films on perovskite SrTiO3 polycrystalline substrates
DOI:10.1016/j.tsf.2013.09.073 JN:THIN SOLID FILMS PY:2013 TC:7 AU: Schultz, Andrew M.;Zhu, Yisi;Bojarski, Stephanie A.;Rohrer, Gregory S.;Salvador, Paul A.;
7:2:24:17 Orientation and Phase Relationships between Titania Films and Polycrystalline BaTiO3 Substrates as Determined by Electron Backscatter Diffraction Mapping
DOI:10.1111/j.1551-2916.2010.03878.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:13 AU: Burbure, Nina V.;Salvador, Paul A.;Rohrer, Gregory S.;
7:2:24:18 Growth of Ca2MnO4 Ruddlesden-Popper structured thin films using combinatorial substrate epitaxy
DOI:10.1063/1.4905012 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Lacotte, M.;David, A.;Pravarthana, D.;Grygiel, C.;Rohrer, G. S.;Salvador, P. A.;Velazquez, M.;de Kloe, R.;Prellier, W.;
7:2:24:19 Domain-selective photochemical reaction on oriented ferroelectric Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals
DOI:10.1016/j.apsusc.2012.10.155 JN:APPLIED SURFACE SCIENCE PY:2013 TC:3 AU: Lau, Kenny;Liu, Yun;Li, Qian;Li, Zhenrong;Withers, Ray L.;Xu, Zhuo;
7:2:24:20 Charge and orbital order at head-to-head domain walls in PbTiO3
DOI:10.1103/PhysRevB.90.115104 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Rahmanizadeh, K.;Wortmann, D.;Bihlmayer, G.;Bluegel, S.;
7:2:24:21 Polar Domains at the Surface of Centrosymmetric BiVO4
DOI:10.1021/cm501087j JN:CHEMISTRY OF MATERIALS PY:2014 TC:5 AU: Munprom, Ratiporn;Salvador, Paul A.;Rohrer, Gregory S.;
7:2:24:22 Enhanced Photochemical Reactivity at the Ferroelectric Phase Transition in Ba1-xSrxTiO3
DOI:10.1111/j.1551-2916.2010.04002.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:9 AU: Bhardwaj, Abhilasha;Burbure, Nina V.;Rohrer, Gregory S.;
7:2:24:23 Dynamic Response in Ba1-xSrxTiO3 and Anomalous Behavior at the Phase Boundary Composition
DOI:10.1111/jace.13072 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:1 AU: Iqbal, Asad M.;Jaffari, Ghulam Hassnain;Hasanain, Syed K.;
7:2:24:24 Visible-Light Photochemical Activity of Heterostructured Core-Shell Materials Composed of Selected Ternary Titanates and Ferrites Coated by TiO2
DOI:10.1021/am4008837 JN:ACS APPLIED MATERIALS & INTERFACES PY:2013 TC:13 AU: Li, Li;Liu, Xuan;Zhang, Yiling;Nuhfer, Noel T.;Barmak, Katayun;Salvador, Paul A.;Rohrer, Gregory S.;
7:2:24:25 Single-step synthesis of doped TiO2 stratified thin-films by atmospheric-pressure chemical vapour deposition
DOI:10.1039/c4ta00935e JN:JOURNAL OF MATERIALS CHEMISTRY A PY:2014 TC:0 AU: Sotelo-Vazquez, Carlos;Quesada-Cabrera, Raul;Darr, Jawwad A.;Parkin, Ivan P.;
7:2:25:1 Micro- and nanodomain imaging in uniaxial ferroelectrics: Joint application of optical, confocal Raman, and piezoelectric force microscopy
DOI:10.1063/1.4891397 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:8 AU: Shur, V. Ya;Zelenovskiy, P. S.;
7:2:25:2 Investigation of the nanodomain structure formation by piezoelectric force microscopy and Raman confocal microscopy in LiNbO3 and LiTaO3 crystals
DOI:10.1063/1.3623778 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:20 AU: Shur, V. Ya;Zelenovskiy, P. S.;Nebogatikov, M. S.;Alikin, D. O.;Sarmanova, M. F.;Ievlev, A. V.;Mingaliev, E. A.;Kuznetsov, D. K.;
7:2:25:3 Influence of adsorbed surface layer on domain growth in the field produced by conductive tip of scanning probe microscope in lithium niobate
DOI:10.1063/1.3624798 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:22 AU: Shur, V. Ya;Ievlev, A. V.;Nikolaeva, E. V.;Shishkin, E. I.;Neradovskiy, M. M.;
7:2:25:4 Raman visualization of micro- and nanoscale domain structures in lithium niobate
DOI:10.1007/s00339-010-5621-4 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:15 AU: Zelenovskiy, P. S.;Fontana, M. D.;Shur, V. Y.;Bourson, P.;Kuznetsov, D. K.;
7:2:25:5 In situ investigation of formation of self-assembled nanodomain structure in lithium niobate after pulse laser irradiation
DOI:10.1063/1.3628646 JN:APPLIED PHYSICS LETTERS PY:2011 TC:10 AU: Shur, V. Ya.;Kuznetsov, D. K.;Mingaliev, E. A.;Yakunina, E. M.;Lobov, A. I.;Ievlev, A. V.;
7:2:25:6 Domain switching by electron beam irradiation of Z(+)-polar surface in Mg-doped lithium niobate
DOI:10.1063/1.4891842 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Shur, V. Ya;Chezganov, D. S.;Smirnov, M. M.;Alikin, D. O.;Neradovskiy, M. M.;Kuznetsov, D. K.;
7:2:25:7 Domain Nanotechnology in Ferroelectric Single Crystals: Lithium Niobate and Lithium Tantalate Family
DOI:10.1080/10584587.2013.794638 JN:FERROELECTRICS PY:2013 TC:3 AU: Shur, V. Ya;
7:2:25:8 Shape of isolated domains in lithium tantalate single crystals at elevated temperatures
DOI:10.1063/1.4846015 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Shur, V. Ya.;Akhmatkhanov, A. R.;Chezganov, D. S.;Lobov, A. I.;Baturin, I. S.;Smirnov, M. M.;
7:2:25:9 Formation of dendrite domain structures in stoichiometric lithium niobate at elevated temperatures
DOI:10.1063/1.4766308 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:7 AU: Shur, V. Ya.;Chezganov, D. S.;Nebogatikov, M. S.;Baturin, I. S.;Neradovskiy, M. M.;
7:2:25:10 Nanodomain structures formation during polarization reversal in uniform electric field in strontium barium niobate single crystals
DOI:10.1063/1.4754511 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:8 AU: Shur, V. Ya;Shikhova, V. A.;Ievlev, A. V.;Zelenovskiy, P. S.;Neradovskiy, M. M.;Pelegov, D. V.;Ivleva, L. I.;
7:2:25:11 Time-dependent conduction current in lithium niobate crystals with charged domain walls
DOI:10.1063/1.4820351 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Shur, V. Ya;Baturin, I. S.;Akhmatkhanov, A. R.;Chezganov, D. S.;Esin, A. A.;
7:2:25:12 Raman Study of Neutral and Charged Domain Walls in Lithium Niobate
DOI:10.1080/00150193.2010.489810 JN:FERROELECTRICS PY:2010 TC:12 AU: Zelenovskiy, P. S.;Shur, V. Ya;Bourson, P.;Fontana, M. D.;Kuznetsov, D. K.;Mingaliev, E. A.;
7:2:25:13 Nanoscale Domain Structuring in Lithium Niobate Single Crystals by Pulse Laser Heating
DOI:10.1080/00150193.2010.489813 JN:FERROELECTRICS PY:2010 TC:11 AU: Kuznetsov, D. K.;Shur, V. Ya;Mingaliev, E. A.;Negashev, S. A.;Lobov, A. I.;Rumyantsev, E. L.;Novikov, P. A.;
7:2:25:14 Abnormal Domain Growth in Lithium Niobate with Surface Layer Modified by Proton Exchange
DOI:10.1080/00150193.2010.489840 JN:FERROELECTRICS PY:2010 TC:11 AU: Dolbilov, M. A.;Shishkin, E. I.;Shur, V. Ya;Tascu, S.;Baldi, P.;De Micheli, M. P.;
7:2:25:15 Polarization Reversal in MgO:LiNbO3 Single Crystals Modified by Plasma-Source Ion Irradiation
DOI:10.1080/00150193.2012.743374 JN:FERROELECTRICS PY:2012 TC:2 AU: Pryakhina, V. I.;Shur, V. Ya.;Alikin, D. O.;Negashev, S. A.;
7:2:25:16 Formation of Nanodomain Structure in Front of the Moving Domain Wall in Lithium Niobate Single Crystal Modified by Proton Exchange
DOI:10.1080/10584587.2013.776408 JN:FERROELECTRICS PY:2013 TC:5 AU: Dolbilov, M. A.;Shur, V. Ya.;Shishkina, E. V.;Angudovich, E. S.;Ushakov, A. D.;Baldi, P.;de Micheli, M. P.;
7:2:25:17 Polarization reversal induced by heating-cooling cycles in MgO doped lithium niobate crystals
DOI:10.1063/1.4801969 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Shur, V. Ya;Mingaliev, E. A.;Lebedev, V. A.;Kuznetsov, D. K.;Fursov, D. V.;
7:2:25:18 Polarization reversal and domain kinetics in magnesium doped stoichiometric lithium tantalate
DOI:10.1063/1.4898348 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Shur, V. Ya.;Akhmatkhanov, A. R.;Chuvakova, M. A.;Baturin, I. S.;
7:2:25:19 Formation of Self-Assembled Domain Structures in Lithium Niobate Modified by Ar Ions Implantation
DOI:10.1080/00150193.2010.489855 JN:FERROELECTRICS PY:2010 TC:8 AU: Alikin, D. O.;Shishkin, E. I.;Nikolaeva, E. V.;Shur, V. Ya.;Sarmanova, M. F.;Ievlev, A. V.;Nebogatikov, M. S.;Gavrilov, N. V.;
7:2:25:20 Micro- and Nanodomain Structures Produced by Pulse Laser Heating in Congruent Lithium Tantalate
DOI:10.1080/00150193.2013.784180 JN:FERROELECTRICS PY:2013 TC:2 AU: Shur, V. Ya;Mingaliev, E. A.;Kuznetsov, D. K.;Kosobokov, M. S.;
7:2:25:21 Polarization reversal and jump-like domain wall motion in stoichiometric LiTaO3 produced by vapor transport equilibration
DOI:10.1063/1.3673601 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:9 AU: Shur, V. Ya.;Akhmatkhanov, A. R.;Baturin, I. S.;Shishkina, E. V.;
7:2:25:22 Abnormal Domain Evolution in Lithium Niobate with Surface Layer Modified by Cu Ion Implantation
DOI:10.1080/00150193.2010.489860 JN:FERROELECTRICS PY:2010 TC:7 AU: Shishkin, E. I.;Nikolaeva, E. V.;Shur, V. Ya.;Sarmanova, M. F.;Dolbilov, M. A.;Nebogatikov, M. S.;Alikin, D. O.;Plaksin, O. A.;Gavrilov, N. V.;
7:2:25:23 The Domain Kinetics in Congruent Lithium Niobate Modified by Low and High Energy Ion Irradiation
DOI:10.1080/00150193.2012.746611 JN:FERROELECTRICS PY:2012 TC:1 AU: Alikin, D. O.;Shur, V. Ya.;Pryakhina, V. I.;Gavrilov, N. V.;Carrascosa, M.;Olivares, J.;
7:2:25:24 Domain Kinetics in Lithium Niobate Single Crystals with Photoresist Dielectric Layer
DOI:10.1080/00150193.2012.743369 JN:FERROELECTRICS PY:2012 TC:5 AU: Akhmatkhanov, A. R.;Shur, V. Ya.;Baturin, I. S.;Zorikhin, D. V.;Lukmanova, A. M.;Zelenovskiy, P. S.;Neradovskiy, M. M.;
7:2:25:25 Formation of Stripe Domain Structures by Pulse Laser Irradiation of LiNbO3 Crystals
DOI:10.1080/00150193.2010.489847 JN:FERROELECTRICS PY:2010 TC:9 AU: Mingaliev, E. A.;Shur, V. Ya;Kuznetsov, D. K.;Negashev, S. A.;Lobov, A. I.;
7:2:25:26 Domain Nanotechnology in Lithium Niobate and Lithium Tantalate Crystals
DOI:10.1080/00150193.2010.490290 JN:FERROELECTRICS PY:2010 TC:6 AU: Shur, V. Ya.;
7:2:25:27 Study of Nanoscale Domain Structure Formation Using Raman Confocal Microscopy
DOI:10.1080/00150193.2010.489838 JN:FERROELECTRICS PY:2010 TC:6 AU: Shur, V. Ya;Shishkin, E. I.;Nikolaeva, E. V.;Nebogatikov, M. S.;Alikin, D. O.;Zelenovskiy, P. S.;Sarmanova, M. F.;Dolbilov, M. A.;
7:2:25:28 Micro-Raman Visualization of Domain Structure in Strontium Barium Niobate Single Crystals
DOI:10.1080/00150193.2012.746890 JN:FERROELECTRICS PY:2012 TC:2 AU: Zelenovskiy, P. S.;Shikhova, V. A.;Ievlev, A. V.;Neradovskiy, M. M.;Shur, V. Ya.;
7:2:25:29 Fatigue Effect in Stoichiometric LiTaO3 Crystals Produced by Vapor Transport Equilibration
DOI:10.1080/00150193.2012.671693 JN:FERROELECTRICS PY:2012 TC:4 AU: Shur, V. Ya.;Akhmatkhanov, A. R.;Baturin, I. S.;
7:2:25:30 Fatigue effect in ferroelectric crystals: Growth of the frozen domains
DOI:10.1063/1.4729834 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Shur, V. Ya;Akhmatkhanov, A. R.;Baturin, I. S.;
7:2:25:31 3D Modeling of Domain Structure Evolution During Discrete Switching in Lithium Niobate
DOI:10.1080/00150193.2010.490291 JN:FERROELECTRICS PY:2010 TC:3 AU: Shur, V. Ya.;Lobov, A. I.;Rumyantsev, E. L.;Kuznetsov, D. K.;
7:2:25:32 Electric Field Poling of Lithium Niobate Crystals after Proton-Exchanged Channel Waveguide Fabrication
DOI:10.1080/00150193.2012.747746 JN:FERROELECTRICS PY:2012 TC:1 AU: Smirnova, A. N.;Mushinskiy, S. S.;Baturin, I. S.;Azanova, I. S.;Shevtsov, D. I.;Akhmatkhanov, A. R.;Ievlev, A. V.;Shur, V. Ya.;
7:2:25:33 Polarization Reversal in Crystals of Congruent Lithium Tantalate at Elevated Temperatures
DOI:10.1080/00150193.2012.747385 JN:FERROELECTRICS PY:2012 TC:1 AU: Chezganov, D. S.;Shur, V. Ya.;Baturin, I. S.;Akhmatkhanov, A. R.;
7:2:25:34 Modeling electric charge distribution on insulator under electron bombardment: Case of rectangular surface implantation
DOI:10.1063/1.3700435 JN:AIP ADVANCES PY:2012 TC:2 AU: Ghorbel, Nouha;Kallel, Ali;Damamme, Gilles;
7:2:26:1 Localized Excited Charge Carriers Generate Ultrafast Inhomogeneous Strain in the Multiferroic BiFeO3
DOI:10.1103/PhysRevLett.112.097602 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:6 AU: Schick, Daniel;Herzog, Marc;Wen, Haidan;Chen, Pice;Adamo, Carolina;Gaal, Peter;Schlom, Darrell G.;Evans, Paul G.;Li, Yuelin;Bargheer, Matias;
7:2:26:2 Ultrafast carrier dynamics and radiative recombination in multiferroic BiFeO3
DOI:10.1063/1.4729423 JN:APPLIED PHYSICS LETTERS PY:2012 TC:21 AU: Sheu, Y. M.;Trugman, S. A.;Park, Y. -S.;Lee, S.;Yi, H. T.;Cheong, S. -W.;Jia, Q. X.;Taylor, A. J.;Prasankumar, R. P.;
7:2:26:3 Measurement of transient photoabsorption and photocurrent of BiFeO3 thin films: Evidence for long-lived trapped photocarriers
DOI:10.1103/PhysRevB.89.035133 JN:PHYSICAL REVIEW B PY:2014 TC:2 AU: Yamada, Yasuhiro;Nakamura, Toru;Yasui, Shintaro;Funakubo, Hiroshi;Kanemitsu, Yoshihiko;
7:2:26:4 Temperature dependent photoexcited carrier dynamics in multiferroic BiFeO3 film: A hidden phase transition
DOI:10.1063/1.4871689 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Zhang, Zeyu;Jin, Zuanming;Pan, Qunfeng;Xu, Yue;Lin, Xian;Ma, Guohong;Cheng, Zhenxiang;
7:2:26:5 Electronic Origin of Ultrafast Photoinduced Strain in BiFeO3
DOI:10.1103/PhysRevLett.110.037601 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:12 AU: Wen, Haidan;Chen, Pice;Cosgriff, Margaret P.;Walko, Donald A.;Lee, June Hyuk;Adamo, Carolina;Schaller, Richard D.;Ihlefeld, Jon F.;Dufresne, Eric M.;Schlom, Darrell G.;Evans, Paul G.;Freeland, John W.;Li, Yuelin;
7:2:26:6 Femtosecond laser generation and detection of high-frequency acoustic phonons in GaAs semiconductors
DOI:10.1103/PhysRevB.81.245207 JN:PHYSICAL REVIEW B PY:2010 TC:21 AU: Babilotte, P.;Ruello, P.;Mounier, D.;Pezeril, T.;Vaudel, G.;Edely, M.;Breteau, J-M.;Gusev, V.;Blary, K.;
7:2:26:7 Coherent magnon and acoustic phonon dynamics in tetragonal and rare-earth-doped BiFeO3 multiferroic thin films
DOI:10.1103/PhysRevB.88.094425 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Doig, K. I.;Aguesse, F.;Axelsson, A. K.;Alford, N. M.;Nawaz, S.;Palkar, V. R.;Jones, S. P. P.;Johnson, R. D.;Synowicki, R. A.;Lloyd-Hughes, J.;
7:2:26:8 Photoexcitation of gigahertz longitudinal and shear acoustic waves in BiFeO3 multiferroic single crystal
DOI:10.1063/1.4719069 JN:APPLIED PHYSICS LETTERS PY:2012 TC:12 AU: Ruello, P.;Pezeril, T.;Avanesyan, S.;Vaudel, G.;Gusev, V.;Infante, I. C.;Dkhil, B.;
7:2:26:9 Strain modulated transient photostriction in La and Nb codoped multiferroic BiFeO3 thin films
DOI:10.1063/1.4770309 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Jin, Zuanming;Xu, Yue;Zhang, Zhengbing;Lin, Xian;Ma, Guohong;Cheng, Zhenxiang;Wang, Xiaolin;
7:2:26:10 Structural dependent ultrafast electron-phonon coupling in multiferroic BiFeO3 films
DOI:10.1063/1.3685496 JN:APPLIED PHYSICS LETTERS PY:2012 TC:8 AU: Jin, Zuanming;Xu, Yue;Zhang, Zhengbing;Li, Gaofang;Lin, Xian;Ma, Guohong;Cheng, Zhenxiang;Wang, Xiaolin;
7:2:26:11 Picosecond strain pulses generated by a supersonically expanding electron-hole plasma in GaAs
DOI:10.1103/PhysRevB.86.155207 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Young, E. S. K.;Akimov, A. V.;Campion, R. P.;Kent, A. J.;Gusev, V.;
7:2:26:12 Ultrafast transient reflectance of epitaxial semiconducting perovskite thin films
DOI:10.1063/1.48902411 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Smolin, S. Y.;Scafetta, M. D.;Guglietta, G. W.;Baxter, J. B.;May, S. J.;
7:2:26:13 Ultrafast photoinduced mechanical strain in epitaxial BiFeO3 thin films
DOI:10.1063/1.4734512 JN:APPLIED PHYSICS LETTERS PY:2012 TC:10 AU: Chen, L. Y.;Yang, J. C.;Luo, C. W.;Laing, C. W.;Wu, K. H.;Lin, J-Y;Uen, T. M.;Juang, J. Y.;Chu, Y. H.;Kobayashi, T.;
7:2:26:14 Wavelength dependence of photoinduced deformation in BiFeO3
DOI:10.1103/PhysRevB.85.092301 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Kundys, B.;Viret, M.;Meny, C.;Da Costa, V.;Colson, D.;Doudin, B.;
7:2:26:15 Laser generation of hypersound by a terahertz photo-Dember electric field in a piezoelectric GaAs semiconductor
DOI:10.1103/PhysRevB.90.014302 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Vaudel, Gwenaelle;Pezeril, Thomas;Lomonosov, Alexei;Lejman, Marius;Ruello, Pascal;Gusev, Vitalyi;
7:2:26:16 Picosecond acoustics in p-doped piezoelectric semiconductors
DOI:10.1063/1.3501125 JN:APPLIED PHYSICS LETTERS PY:2010 TC:15 AU: Babilotte, P.;Ruello, P.;Vaudel, G.;Pezeril, T.;Mounier, D.;Breteau, J. -M.;Gusev, V.;
7:2:26:17 Transition from piezoelectric to deformation potential mechanism of hypersound photogeneration in n-doped GaAs semiconductors
DOI:10.1063/1.3552912 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:8 AU: Babilotte, P.;Ruello, P.;Pezeril, T.;Vaudel, G.;Mounier, D.;Breteau, J. -M.;Gusev, V.;
7:2:26:18 Correlated terahertz acoustic and electromagnetic emission in dynamically screened InGaN/GaN quantum wells
DOI:10.1103/PhysRevB.84.085317 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: van Capel, P. J. S.;Turchinovich, D.;Porte, H. P.;Lahmann, S.;Rossow, U.;Hangleiter, A.;Dijkhuis, J. I.;
7:2:26:19 Ultrafast dynamics of the Mn3+ d-d transition and spin-lattice interaction in YMnO3 film
DOI:10.1063/1.3675906 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Jin, Zuanming;Ma, Hong;Li, Gaofang;Xu, Yue;Ma, Guohong;Cheng, Zhenxiang;
7:2:26:20 Time-resolved interferometric detection of ultrashort strain solitons in sapphire
DOI:10.1103/PhysRevB.81.144106 JN:PHYSICAL REVIEW B PY:2010 TC:10 AU: van Capel, P. J. S.;Dijkhuis, J. I.;
7:2:26:21 Propagation of acoustic phonon solitons in nonmetallic crystals
DOI:10.1103/PhysRevB.84.024301 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Maris, H. J.;Tamura, S.;
7:2:26:22 Thermal transport in thin films measured by time-resolved, grazing incidence x-ray diffraction
DOI:10.1063/1.3661164 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Walko, D. A.;Sheu, Y. -M.;Trigo, M.;Reis, D. A.;
7:2:26:23 Coherent acoustic phonon generation and detection by femtosecond laser pulses in ZnTe single crystals
DOI:10.1063/1.4820518 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Feng, D. H.;Pan, X. Q.;Li, X.;Jia, T. Q.;Sun, Z. R.;
7:2:26:24 Optical properties of epitaxial BiFeO3 thin films
DOI:10.1007/s00339-010-5881-z JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:6 AU: Zelezny, V.;Chvostova, D.;Pajasova, L.;Vrejoiu, I.;Alexe, M.;
7:2:26:25 Strong spin-lattice coupling in multiferroic hexagonal manganite YMnO3 probed by ultrafast optical spectroscopy
DOI:10.1063/1.3467459 JN:APPLIED PHYSICS LETTERS PY:2010 TC:10 AU: Jang, Kyeong-Jin;Lee, Han-gyoel;Lee, Sangkyung;Ahn, Jaewook;Ahn, Jai Seok;Hur, Namjung;Cheong, Sang-Wook;
7:2:26:26 Nonlinearity in the high-electric-field piezoelectricity of epitaxial BiFeO3 on SrTiO3
DOI:10.1063/1.3683533 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Chen, Pice;Sichel-Tissot, Rebecca J.;Young Jo, Ji;Smith, Ryan T.;Baek, Seung-Hyub;Saenrang, Wittawat;Eom, Chang-Beom;Sakata, Osami;Dufresne, Eric M.;Evans, Paul G.;
7:2:26:27 Ultrafast photoinduced linear and circular optical anisotropy in the multiferroic hexagonal manganite YMnO3
DOI:10.1103/PhysRevB.88.195112 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Pohl, M.;Pavlov, V. V.;Akimov, I. A.;Gridnev, V. N.;Pisarev, R. V.;Yakovlev, D. R.;Bayer, M.;
7:2:26:28 Ultrafast carrier dynamics and radiative recombination in multiferroic BiFeO3 (vol 100, 242904, 2012)
DOI:10.1063/1.4821741 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Sheu, Y. -M.;Trugman, S. A.;Park, Y. -S.;Lee, S.;Yi, H. T.;Cheong, S. -W.;Jia, Q. X.;Taylor, A. J.;Prasankumar, R. P.;
7:2:26:29 A proposal for Coulomb assisted laser cooling of piezoelectric semiconductors
DOI:10.1063/1.4891763 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Nia, Iman Hassani;Mohseni, Hooman;
7:2:27:1 High-Resolution Studies of Domain Switching Behavior in Nanostructured Ferroelectric Polymers
DOI:10.1021/nl200221z JN:NANO LETTERS PY:2011 TC:37 AU: Sharma, Pankaj;Reece, Timothy J.;Ducharme, Stephen;Gruverman, Alexei;
7:2:27:2 Rapid Nanoimprinting and Excellent Piezoresponse of Polymeric Ferroelectric Nanostructures
DOI:10.1021/nn901397r JN:ACS NANO PY:2010 TC:38 AU: Liu, Yuanming;Weiss, Dirk N.;Li, Jiangyu;
7:2:27:3 Nanoscale domain growth dynamics of ferroelectric poly(vinylidene fluoride-co-trifluoroethylene) thin films
DOI:10.1063/1.3290247 JN:APPLIED PHYSICS LETTERS PY:2010 TC:20 AU: Kim, Yunseok;Kim, Wooyoung;Choi, Hyunwoo;Hong, Seungbum;Ko, Hyungsoo;Lee, Heechul;No, Kwangsoo;
7:2:27:4 Domain wall roughness and creep in nanoscale crystalline ferroelectric polymers
DOI:10.1063/1.4820784 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Xiao, Z.;Poddar, Shashi;Ducharme, Stephen;Hong, X.;
7:2:27:5 Local ferroelectric properties in polyvinylidene fluoride/barium lead zirconate titanate nanocomposites: Interface effect
DOI:10.1063/1.4824463 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Silibin, M. V.;Solnyshkin, A. V.;Kiselev, D. A.;Morozovska, A. N.;Eliseev, E. A.;Gavrilov, S. A.;Malinkovich, M. D.;Lupascu, D. C.;Shvartsman, V. V.;
7:2:27:6 Effect of thermal annealing on ferroelectric domain structures in poly(vinylidene-fluoride-trifluorethylene) Langmuir-Blodgett thin films
DOI:10.1063/1.4891396 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Xiao, Z.;Hamblin, J.;Poddar, Shashi;Ducharme, Stephen;Paruch, P.;Hong, X.;
7:2:27:7 Orientational imaging in polar polymers by piezoresponse force microscopy
DOI:10.1063/1.3623765 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:14 AU: Sharma, Pankaj;Wu, Dong;Poddar, Shashi;Reece, Timothy J.;Ducharme, Stephen;Gruverman, Alexei;
7:2:27:8 Fabrication of complex nanostructures of Poly(vinylidenefluoride-trifluoroethylene) by dual step hot-embossing
DOI:10.1116/1.3662087 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2011 TC:0 AU: Wen, Juan-juan;Shen, Zhen-kui;Qiu, Zhi-jun;Jiang, An-quan;Liu, Ran;Chen, Yifang;
7:2:27:9 Effect of disorder potential on domain switching behavior in polymer ferroelectric films
DOI:10.1088/0957-4484/24/1/015706 JN:NANOTECHNOLOGY PY:2013 TC:8 AU: Sharma, Pankaj;Nakajima, Takashi;Okamura, Soichiro;Gruverman, Alexei;
7:2:27:10 Facile Preparation of PbTiO3 Nanodot Arrays: Combining Nanohybridization with Vapor Phase Reaction Sputtering
DOI:10.1002/adfm.201101033 JN:ADVANCED FUNCTIONAL MATERIALS PY:2011 TC:10 AU: Kim, Jiyoon;Hong, Jongin;Park, Moonkyu;Zhe, Wu;Kim, Dongjin;Jang, Yu Jin;Kim, Dong Ha;No, Kwangsoo;
7:2:27:11 Coplanar switching of polarization in thin films of vinylidene fluoride oligomers
DOI:10.1063/1.4901257 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Sharma, Pankaj;Fursina, Alexandra;Poddar, Shashi;Ducharme, Stephen;Gruverman, Alexei;
7:2:27:12 P(VDF-TrFE) nanorod assemblies with anisotropic piezoelectric properties investigated by piezoelectric response microscopy
DOI:10.1063/1.4891402 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Chen, Xiaosui;Wang, Yunli;Cai, Kai;Bai, Yang;Bo, Shuhui;Guo, Dong;
7:2:27:13 Novel techniques for modifying microtube surfaces with various periodic structures ranging from nano to microscale
DOI:10.1116/1.4772769 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2013 TC:0 AU: Liu, Zhaoqian;Li, Jinxing;Lu, Bingrui;Chen, Yifang;Liu, Ran;Huang, Gaoshan;Mei, Yongfeng;
7:2:27:14 Spatially Selective Photochemical Reduction of Silver on Nanoembossed Ferroelectric PZT Nanowires
DOI:10.1021/la200377b JN:LANGMUIR PY:2011 TC:13 AU: Shen, Zhenkui;Chen, Guoping;Chen, Zhihui;Qu, Xinping;Chen, Yifang;Liu, Ran;
7:2:27:15 Humidity effect of domain wall roughening behavior in ferroelectric copolymer thin films
DOI:10.1088/0957-4484/25/35/355703 JN:NANOTECHNOLOGY PY:2014 TC:2 AU: Park, Kwang-Won;Seo, Hosung;Kim, Jiyoon;Seol, Daehee;Hong, Jongin;Kim, Yunseok;
7:2:27:16 The piezoresponse force microscopy investigation of self-polarization alignment in poly(vinylidene fluoride-co-trifluoroethylene) ultrathin films
DOI:10.1039/c1sm05950e JN:SOFT MATTER PY:2012 TC:11 AU: Park, Moonkyu;Choi, Yoon-Young;Kim, Jiyoon;Hong, Jongin;Song, Han Wook;Sung, Tae-Hyun;No, Kwangsoo;
7:2:27:17 Nanoembossing Induced Ferroelectric Lithography on PZT Films for Silver Particle Patterning
DOI:10.1021/nn202932z JN:ACS NANO PY:2011 TC:6 AU: Shen, Zhenkui;Qu, Xinping;Chen, Yifang;Liu, Ran;
7:2:27:18 Local surface potential distribution and its relaxation in ferroelectric poly(vinylidenefluoride-co-trifluoroethylene) thin films
DOI:10.1063/1.4734870 JN:APPLIED PHYSICS LETTERS PY:2012 TC:2 AU: Choi, Hyunwoo;Hong, Jongin;No, Kwangsoo;
7:2:27:19 Investigation of ferroelectric domains in thin films of vinylidene fluoride oligomers
DOI:10.1063/1.4890412 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Sharma, Pankaj;Poddar, Shashi;Korlacki, Rafal;Ducharme, Stephen;Gruverman, Alexei;
7:2:27:20 Thermal variation of piezoresponse in microscopically poled poly(vinylidene fluoride-trifluoroethylene) ferroelectric copolymers approaching Curie temperature
DOI:10.1063/1.3623774 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Liu, Yuanming;Xie, Shuhong;Liu, Xiaoyan;Kitamura, Kenji;Li, Jiangyu;
7:2:27:21 Cold-Field Switching in PVDF-TrFE Ferroelectric Polymer Nanomesas
DOI:10.1103/PhysRevLett.108.027603 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:8 AU: Stolichnov, Igor;Maksymovych, Peter;Mikheev, Evgeny;Kalinin, Sergei V.;Tagantsev, Alexander K.;Setter, Nava;
7:2:27:22 Polarization switching at the nanoscale in ferroelectric copolymer thin films
DOI:10.1063/1.3646906 JN:APPLIED PHYSICS LETTERS PY:2011 TC:11 AU: Gaynutdinov, R. V.;Mitko, S.;Yudin, S. G.;Fridkin, V. M.;Ducharme, Stephen;
7:2:27:23 Effects of surface morphology on retention loss of ferroelectric domains in poly(vinylidenefluoride-co-trifluoroethylene) thin films
DOI:10.1063/1.3632042 JN:APPLIED PHYSICS LETTERS PY:2011 TC:5 AU: Choi, Hyunwoo;Hong, Seungbum;Sung, Tae-Hyun;No, Kwangsoo;
7:2:27:24 Overhanging ferroelectric nanodot arrays created by high surface energy seeds
DOI:10.1016/j.apsusc.2014.06.134 JN:APPLIED SURFACE SCIENCE PY:2014 TC:1 AU: Kim, Jiyoon;Park, Kwang-Won;Hong, Jongin;No, Kwangsoo;
7:2:27:25 Spin-coated ultrathin poly(vinylidene fluoride-co-trifluoroethylene) films for flexible and transparent electronics
DOI:10.1039/c0jm03533e JN:JOURNAL OF MATERIALS CHEMISTRY PY:2011 TC:10 AU: Choi, Yoon-Young;Hong, Jongin;Leem, Dong-Seok;Park, Moonkyu;Song, HanWook;Sung, Tae-Hyun;No, Kwangsoo;
7:2:27:26 Electromechanical properties of dried tendon and isoelectrically focused collagen hydrogels
DOI:10.1016/j.actbio.2012.04.017 JN:ACTA BIOMATERIALIA PY:2012 TC:7 AU: Denning, D.;Abu-Rub, M. T.;Zeugolis, D. I.;Habelitz, S.;Pandit, A.;Fertala, A.;Rodriguez, B. J.;
7:2:27:27 Effect of deposition temperature of TiO2 on the piezoelectric property of PbTiO3 film grown by PbO gas phase reaction sputtering
DOI:10.1063/1.3406148 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:8 AU: Kim, Jiyoon;Hong, Seungbum;Buehlmann, Simon;Kim, Yunseok;Park, Moonkyu;Kim, Yong Kwan;No, Kwangsoo;
7:2:27:28 In situ observation of the nanocrystal growth and their piezoelectric performance change in P(VDF-TrFE) films by hot stage piezoresponse force microscopy
DOI:10.1063/1.4801971 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Guo, Dong;Chen, Xiaosui;Chu, Xiangcheng;Zeng, Fei;Bai, Yang;Cao, Jiangli;Dkhil, Brahim;
7:2:27:29 Fabrication and Characterization of Nanoscale Ferroelectric Honeycombs
DOI:10.1111/jace.12352 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:1 AU: Kim, Bongsoo;Hong, Seungbum;Choi, Hyunwoo;Ryu, Won-Hee;Paik, Haemin;Choi, Yoon-Young;Kwon, Hyuk-Sang;No, Kwangsoo;
7:2:27:30 Photocrosslinking of ferroelectric polymers and its application in three-dimensional memory arrays
DOI:10.1063/1.3571284 JN:APPLIED PHYSICS LETTERS PY:2011 TC:11 AU: van Breemen, A. J. J. M.;van der Putten, J. B. P. H.;Cai, R.;Reimann, K.;Marsman, A. W.;Willard, N.;de Leeuw, D. M.;Gelinck, G. H.;
7:2:27:31 Nanoembossing and piezoelectricity of ferroelectric Pb(Zr-0.3,Ti-0.7)O-3 nanowire arrays
DOI:10.1016/j.apsusc.2011.04.063 JN:APPLIED SURFACE SCIENCE PY:2011 TC:5 AU: Shen, Z. K.;Chen, Z. H.;Li, H.;Qu, X. P.;Chen, Y.;Liu, R.;
7:2:27:32 Characterizations of nanoembossed Pb(Zr-0.3, Ti-0.7)O-3 ferroelectric films
DOI:10.1116/1.3497018 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2010 TC:2 AU: Shen, Zhenkui;Chen, Zhihui;Lu, Qian;Jiang, Anquan;Qiu, Zhijun;Qu, Xinping;Chen, Yifang;Liu, Ran;
7:2:27:33 Nanoembossing Induced Ferroelectric Lithography on PZT Films for Silver Particle Patterning (Retraction of vol 5, pg 6855, 2011)
DOI:10.1021/nn2049653 JN:ACS NANO PY:2012 TC:1 AU: Shen, Zhenkui;Qu, Xinping;Chen, Yifang;Liu, Ran;
7:2:27:34 Spatially Selective Photochemical Reduction of Silver on Nanoembossed Ferroelectric PZT Nanowires (vol 27, pg 5167, 2011)
DOI:10.1021/la204972g JN:LANGMUIR PY:2012 TC:0 AU: Shen, Zhenkui;Chen, Guoping;Chen, Zhihui;Qu, Xinping;Chen, Yifang;Liu, Ran;
7:2:28:1 Preface to Special Topic: Piezoresponse Force Microscopy and Nanoscale Phenomena in Polar Materials
DOI:10.1063/1.4751458 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Kalinin, Sergei V.;Ye, Zuo-Guang;Kholkin, Andrei L.;
7:2:28:2 Polarization Switching without Domain Formation at the Intrinsic Coercive Field in Ultrathin Ferroelectric PbTiO3
DOI:10.1103/PhysRevLett.105.167601 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:38 AU: Highland, Matthew J.;Fister, Timothy T.;Richard, Marie-Ingrid;Fong, Dillon D.;Fuoss, Paul H.;Thompson, Carol;Eastman, Jeffrey A.;Streiffer, Stephen K.;Stephenson, G. Brian;
7:2:28:3 Equilibrium Polarization of Ultrathin PbTiO3 with Surface Compensation Controlled by Oxygen Partial Pressure
DOI:10.1103/PhysRevLett.107.187602 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:21 AU: Highland, M. J.;Fister, T. T.;Fong, D. D.;Fuoss, P. H.;Thompson, Carol;Eastman, J. A.;Streiffer, S. K.;Stephenson, G. B.;
7:2:28:4 Equilibrium and stability of polarization in ultrathin ferroelectric films with ionic surface compensation
DOI:10.1103/PhysRevB.84.064107 JN:PHYSICAL REVIEW B PY:2011 TC:24 AU: Stephenson, G. Brian;Highland, Matthew J.;
7:2:28:5 Electrochemical ferroelectric switching: Origin of polarization reversal in ultrathin films
DOI:10.1103/PhysRevB.85.024106 JN:PHYSICAL REVIEW B PY:2012 TC:13 AU: Bristowe, N. C.;Stengel, Massimiliano;Littlewood, P. B.;Pruneda, J. M.;Artacho, Emilio;
7:2:28:6 Ion motion and electrochemistry in nanostructures
DOI:10.1557/mrs.2011.266 JN:MRS BULLETIN PY:2011 TC:7 AU: Natelson, Douglas;Di Ventra, Massimiliano;
7:2:28:7 Direct Probing of Charge Injection and Polarization-Controlled Ionic Mobility on Ferroelectric LiNbO3 Surfaces
DOI:10.1002/adma.201304002 JN:ADVANCED MATERIALS PY:2014 TC:4 AU: Strelcov, Evgheni;Ievlev, Anton V.;Jesse, Stephen;Kravchenko, Ivan I.;Shur, Vladimir Y.;Kalinin, Sergei V.;
7:2:28:8 Preface to Special Topic: Piezoresponse force microscopy and nanoscale phenomena in polar materials
DOI:10.1063/1.4891444 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Bassiri-Gharb, Nazanin;Kalinin, Sergei V.;Valanoor, Nagarajan;
7:2:28:9 Watching domains grow: In-situ studies of polarization switching by combined scanning probe and scanning transmission electron microscopy
DOI:10.1063/1.3623779 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:23 AU: Chang, Hyejung;Kalinin, Sergei V.;Yang, Seungyeul;Yu, Pu;Bhattacharya, Saswata;Wu, Ping P.;Balke, Nina;Jesse, Stephen;Chen, Long Q.;Ramesh, Ramamoorthy;Pennycook, Stephen J.;Borisevich, Albina Y.;
7:2:28:10 Space- and Time-Resolved Mapping of Ionic Dynamic and Electroresistive Phenomena in Lateral Devices
DOI:10.1021/nn4017873 JN:ACS NANO PY:2013 TC:5 AU: Strelcov, Evgheni;Jesse, Stephen;Huang, Yen-Lin;Teng, Yung-Chun;Kravchenko, Ivan I.;Chu, Ying-Hao;Kalinin, Sergei V.;
7:2:28:11 Redox-based resistive switching in ferroelectric perovskite nanotubes
DOI:10.1063/1.3486224 JN:APPLIED PHYSICS LETTERS PY:2010 TC:15 AU: Nonnenmann, Stephen S.;Gallo, Eric M.;Spanier, Jonathan E.;
7:2:28:12 The determination of the three-phase boundary width of solid oxide fuel cell cathodes by current-driven O-18 tracer incorporation
DOI:10.1016/j.scriptamat.2010.07.022 JN:SCRIPTA MATERIALIA PY:2011 TC:12 AU: Fleig, J.;Schintlmeister, A.;Opitz, A. K.;Hutter, H.;
7:2:28:13 Electronic surface compensation of polarization in PbTiO3 films
DOI:10.1063/1.4750041 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: He, Jun;Stephenson, G. B.;Nakhmanson, S. M.;
7:2:28:14 90-degree polarization switching in BaTiO3 crystals without domain wall motion
DOI:10.1063/1.4832784 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Li, Y. W.;Scott, J. F.;Fang, D. N.;Li, F. X.;
7:2:28:15 Interfacial charge and strain effects on the ferroelectric behavior of epitaxial (001) PbTiO3 films on (110) DyScO3 substrates
DOI:10.1063/1.4869579 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Highland, M. J.;Fong, D. D.;Stephenson, G. B.;Fister, T. T.;Fuoss, P. H.;Streiffer, S. K.;Thompson, Carol;Richard, M. -I.;Eastman, J. A.;
7:2:28:16 Evolution of potential distributions during the charging of nano-structured metal oxide films in air as response to sudden voltage application
DOI:10.1016/j.tsf.2009.12.024 JN:THIN SOLID FILMS PY:2010 TC:3 AU: Kiselev, I.;Sommer, M.;
7:2:29:1 Topology of the polarization field in ferroelectric nanowires from first principles
DOI:10.1103/PhysRevB.81.172101 JN:PHYSICAL REVIEW B PY:2010 TC:31 AU: Hong, Jiawang;Catalan, G.;Fang, D. N.;Artacho, Emilio;Scott, J. F.;
7:2:29:2 Pyroelectric response of ferroelectric nanowires: Size effect and electric energy harvesting
DOI:10.1063/1.3474964 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:28 AU: Morozovska, A. N.;Eliseev, E. A.;Svechnikov, G. S.;Kalinin, S. V.;
7:2:29:3 Low-Symmetry Phases in Ferroelectric Nanowires
DOI:10.1021/nl9034708 JN:NANO LETTERS PY:2010 TC:33 AU: Louis, L.;Gemeiner, P.;Ponomareva, I.;Bellaiche, L.;Geneste, G.;Ma, W.;Setter, N.;Dkhil, B.;
7:2:29:4 Roto-flexoelectric coupling impact on the phase diagrams and pyroelectricity of thin SrTiO3 films
DOI:10.1063/1.4752397 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:7 AU: Morozovska, Anna N.;Eliseev, Eugene A.;Bravina, Svetlana L.;Borisevich, Albina Y.;Kalinin, Sergei V.;
7:2:29:5 Ultrafast Polarization Response of an Optically Trapped Single Ferroelectric Nanowire
DOI:10.1021/nl5011228 JN:NANO LETTERS PY:2014 TC:1 AU: Nah, Sanghee;Kuo, Yi-Hong;Chen, Frank;Park, Joonsuk;Sinclair, Robert;Lindenberg, Aaron M.;
7:2:29:6 Ab initio study on mechanical-bending-induced ferroelectric phase transition in ultrathin perovskite nanobelts
DOI:10.1016/j.actamat.2014.05.054 JN:ACTA MATERIALIA PY:2014 TC:1 AU: Li, H. F.;Zhang, G. H.;Zheng, Yue;Wang, Biao;Chen, W. J.;
7:2:29:7 An unusual route to polarization reversal in ferroelectric ultrathin nanowires
DOI:10.1063/1.4890128 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Herchig, R.;Chang, Ch-M.;Mani, B. K.;Ponomareva, I.;
7:2:29:8 Complex polarization ordering in PbTiO3 nanowires: A first-principles computational study
DOI:10.1103/PhysRevB.82.155442 JN:PHYSICAL REVIEW B PY:2010 TC:14 AU: Pilania, G.;Ramprasad, R.;
7:2:29:9 Phase diagram of ferroelectric nanowires and its mechanical force controllability
DOI:10.1063/1.3446854 JN:APPLIED PHYSICS LETTERS PY:2010 TC:10 AU: Lin, S. P.;Zheng, Yue;Cai, M. Q.;Wang, Biao;
7:2:29:10 Stress-induced phase transition and deformation behavior of BaTiO(3) nanowires
DOI:10.1063/1.3633267 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Zhang, Yihui;Liu, Bin;Fang, Daining;
7:2:29:11 One-Dimensional Ferroelectrics: Nanowires and Nanotubes
DOI:10.1080/07399332.2012.678120 JN:FERROELECTRICS PY:2012 TC:1 AU: Alexe, M.;Hesse, D.;
7:2:29:12 Synthesis of Monoclinic Potassium Niobate Nanowires That Are Stable at Room Temperature
DOI:10.1021/ja308209m JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2013 TC:10 AU: Kim, Seungwook;Lee, Ju-Hyuck;Lee, Jaeyeon;Kim, Sang-Woo;Kim, Myung Hwa;Park, Sungnam;Chung, Haegeun;Kim, Yong-Il;Kim, Woong;
7:2:29:13 A surface-layer model of ferroelectric nanowire
DOI:10.1063/1.3525267 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:8 AU: Zhang, Yihui;Hong, Jiawang;Liu, Bin;Fang, Daining;
7:2:29:14 Terahertz sensing using ferroelectric nanowires
DOI:10.1088/0957-4484/24/4/045501 JN:NANOTECHNOLOGY PY:2013 TC:3 AU: Herchig, R.;Schultz, Kimberly;McCash, Kevin;Ponomareva, I.;
7:2:29:15 Effects of surface tension and axis stress on piezoelectric behaviors of ferroelectric nanowires
DOI:10.1063/1.3661169 JN:APPLIED PHYSICS LETTERS PY:2011 TC:4 AU: Chen, Y. Q.;En, Y. F.;Huang, Y.;Kong, X. D.;Zheng, X. J.;Lu, Y. D.;
7:2:29:16 Surface and size effects on phase diagrams of ferroelectric nanocylinders
DOI:10.1063/1.3624829 JN:APPLIED PHYSICS LETTERS PY:2011 TC:2 AU: Zheng, Yue;Lin, S. P.;Wang, Biao;
7:2:29:17 Domain structures and switching properties in ferroelectric nanocomposites
DOI:10.1063/1.4823553 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Artemev, A.;
7:2:29:18 The Ferroelectricity at the Nanoscale
DOI:10.1080/00150193.2014.895201 JN:FERROELECTRICS PY:2014 TC:0 AU: Fridkin, V.;Ducharme, S.;
7:2:29:19 Polarization control in ferroelectric PbTiO3 nanorods
DOI:10.1063/1.3525593 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:9 AU: Saeterli, Ragnhild;Rorvik, Per Martin;You, Chang Chuan;Holmestad, Randi;Tybell, Thomas;Grande, Tor;van Helvoort, Antonius T. J.;Einarsrud, Mari-Ann;
7:2:29:20 Competing polarization reversal mechanisms in ferroelectric nanowires
DOI:10.1103/PhysRevB.86.214108 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;
7:2:29:21 Phase diagram and ferroelectric behaviors of BaTiO3 nanowires
DOI:10.1063/1.3559810 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Qiu, J. H.;Ding, J. N.;Yuan, N. Y.;Cao, H. X.;Wang, X. Q.;Zhou, Y.;
7:2:29:22 Large coercivity and polarization of sol-gel derived BaTiO3 nanowires
DOI:10.1063/1.3641986 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Boucher, R.;Renz, P.;Li, C.;Fuhrlich, T.;Bauch, J.;Yoon, K. H.;Lupascu, D. C.;
7:2:29:23 Interesting properties of ferroelectric Pb(Zr0.5Ti0.5)O-3 nanotube array embedded in matrix medium
DOI:10.1063/1.4816483 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Adhikari, Rajendra;Fu, Huaxiang;
7:2:30:1 Multiple high-pressure phase transitions in BiFeO3
DOI:10.1103/PhysRevB.84.174107 JN:PHYSICAL REVIEW B PY:2011 TC:27 AU: Guennou, Mael;Bouvier, Pierre;Chen, Grace S.;Dkhil, Brahim;Haumont, Raphael;Garbarino, Gaston;Kreisel, Jens;
7:2:30:2 Pressure-temperature phase diagram of SrTiO3 up to 53 GPa
DOI:10.1103/PhysRevB.81.054115 JN:PHYSICAL REVIEW B PY:2010 TC:36 AU: Guennou, Mael;Bouvier, Pierre;Kreisel, Jens;Machon, Denis;
7:2:30:3 Jahn-Teller, Polarity, and Insulator-to-Metal Transition in BiMnO3 at High Pressure
DOI:10.1103/PhysRevLett.112.075501 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:5 AU: Guennou, Mael;Bouvier, Pierre;Toulemonde, Pierre;Darie, Celine;Goujon, Celine;Bordet, Pierre;Hanfland, Michael;Kreisel, Jens;
7:2:30:4 Competition between ferromagnetic and antiferromagnetic ground states in multiferroic BiMnO3 at high pressures
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7:2:30:5 High-pressure investigation of CaTiO3 up to 60 GPa using x-ray diffraction and Raman spectroscopy
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7:2:30:6 Pressure-dependent electronic structures and orbital hybridization of Mn 3d states in multiferroic BiMnO3: A combined x-ray absorption, x-ray emission, and resonant x-ray emission study
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7:2:30:7 Persistence of Jahn-Teller Distortion up to the Insulator to Metal Transition in LaMnO3
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7:2:30:8 Effect of pressure on the band gap and the local FeO6 environment in BiFeO3
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7:2:30:9 Crucial role of orbital structure in formation of frustrated magnetic structure in BiMnO3
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7:2:30:10 Crystal and Magnetic Structures and Properties of BiMnO3+delta
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7:2:30:11 Structural transitions and transport-half-metallic ferromagnetism in LaMnO3 at elevated pressure
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7:2:30:12 Ferromagnetism and ferroelectricity in epitaxial BiMnO3 ultra-thin films
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7:2:30:13 Single-crystalline BiMnO3 studied by temperature-dependent x-ray diffraction and Raman spectroscopy
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7:2:30:14 Absence of ferroelectricity in BiMnO3 ceramics
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7:2:30:15 Structural phase transition of BaZrO3 under high pressure
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7:2:30:16 Structural and insulator-to-metal phase transition at 50 GPa in GdMnO3
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7:2:30:17 Structural, Magnetic, and Electrical Properties of Bi1-xLaxMnO3 (x=0.0, 0.1, and 0.2) Solid Solutions
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7:2:30:18 Raman spectroscopic study of phase stability and anharmonicity in Bi12TiO20
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7:2:30:19 Defects of the crystal structure and Jahn-Teller distortion in BiMnO3
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7:2:30:20 Pressure effects on Jahn-Teller distortion in perovskites: The roles of local and bulk compressibilities
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7:2:30:21 Structural polymorphism in multiferroic BiMnO3 at high pressures and temperatures
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7:2:30:22 Intra- and intersite electronic excitations in multiferroic TbMnO3 probed by resonant inelastic x-ray scattering
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7:2:30:23 Lattice dynamics and pressure-induced phase transitions in Bi2W2O9: High-pressure Raman study
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7:2:30:24 High-temperature ferroic phase transitions and paraelectric cubic phase in multiferroic Bi0.95+delta Fe0.9Zr0.1O3
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7:2:30:25 Pressure effect on structural and vibrational properties of Sm-substituted BiFeO3
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7:2:30:26 Crystallization of nanosized Aurivillius phase Bi2W2O9 from amorphous precursor
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7:2:30:27 Effects of Oxygen Content on Bi3Mn3O11+delta: From 45 K Antiferromagnetism to Room-Temperature True Ferromagnetism
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7:2:30:28 High pressure behavior of Ga-doped LaMnO3: a combined X-ray diffraction and optical spectroscopy study
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7:2:30:29 High-pressure Raman scattering study of ferroelectric K3Nb3O6(BO3)(2)
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7:2:30:30 Uniaxial colossal magnetoresistance in the Ising magnet SrCo12O19
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7:2:30:31 Spin-ordering mediated orbital hybridization in CoO at high pressures
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7:2:31:1 Preface to Special Topic: Selected Papers from the Piezoresponse Force Microscopy Workshop Series: Part of the Joint ISAF-ECAPD-PFM 2012 Conference
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7:2:31:2 Biological Ferroelectricity Uncovered in Aortic Walls by Piezoresponse Force Microscopy
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7:2:31:3 Effective piezoelectric response of twin walls in ferroelectrics
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7:2:31:4 White-light-controlled ferromagnetic and ferroelectric properties of multiferroic single-crystalline BiFeO3 nanoflowers at room temperature
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7:2:31:5 Analyzing piezoresponse force microscopy for reconstruction of probed ferroelectric structures
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7:2:31:6 The effects of domain wall thickness on the nanoscale piezoresponse of ferroelectric domains
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7:2:31:7 Glucose Suppresses Biological Ferroelectricity in Aortic Elastin
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7:2:31:8 The electromechanics of piezoresponse force microscopy for a transversely isotropic piezoelectric medium
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7:2:31:9 Resolving ferroelectric nanostructures via piezoresponse force microscopy-A numerical investigation
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7:2:31:10 Nanoscale Ferroelectricity in Crystalline gamma-Glycine
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7:2:31:11 Nanoscale piezoelectric and ferroelectric behaviors of seashell by piezoresponse force microscopy
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7:2:31:12 In situ studies of nanoscale electromechanical behavior of nacre under flexural stresses using band excitation PFM
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7:2:31:13 Piezoelectric properties and surface potential of green abalone shell studied by scanning probe microscopy techniques
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7:2:31:14 A coupled analysis of the piezoresponse force microscopy signals
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7:2:31:15 Paraelectric Response of Water in the Range0-100 degrees C
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7:2:31:16 Atomic vapor deposition of bismuth titanate thin films
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7:2:31:17 Mechanical stress modified ferroelectric aging behavior
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7:2:31:18 Piezoelectricity in collagen type II fibrils measured by scanning probe microscopy
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7:2:32:1 BiFeO3 thin films of (111)-orientation deposited on SrRuO3 buffered Pt/TiO2/SiO2/Si(100) substrates
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7:2:32:2 Improved electric behaviors of the Pt/Bi1-xLaxFe0.92Mn0.08O3/n(+)-Si heterostructure for nonvolatile ferroelectric random-access memory
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7:2:32:3 Ferroelectric and Impedance Behavior of La- and Ti-Codoped BiFeO3 Thin Films
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7:2:32:4 Multiferroic and fatigue behavior of silicon-based bismuth ferrite sandwiched structure
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7:2:32:5 Charge defects-induced electrical properties in bismuth ferrite bilayered thin films
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7:2:32:6 A giant polarization value of Zn and Mn co-modified bismuth ferrite thin films
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7:2:32:7 Impedance spectroscopy of bilayered bismuth ferrite thin films
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7:2:32:8 A large polarization in Ce-modified bismuth ferrite thin films
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7:2:32:9 Elimination of domain backswitching in BiFe0.95Mn0.05O3 thin films by lowering the layer thickness
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7:2:32:10 Effect of heterogeneous interface on the microwave dielectric properties of Ca(Mg1/3Nb2/3)O-3/CaTiO3 thin films
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7:2:32:11 Effect of BNBTKNN on the electrical properties of bismuth ferrite thin films
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7:2:32:12 Effect of (Bi, La)(Fe, Zn)O-3 thickness on the microstructure and multiferroic properties of BiFeO3 thin films
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7:2:32:13 Bismuth ferrite composite thin films
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7:2:32:14 Structural, dielectric and piezoelectric properties of xBiFeO(3)-(1-x) BaTi0.9Zr0.1O3 ceramics
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7:2:32:15 Effect of Substrate Temperature on Electrical Properties of BiFeO3 Thin Films Prepared by Sputtering Method
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7:2:32:16 Effect of (Bi,Gd)FeO3 Layer Thickness on the Microstructure and Electrical Properties of BiFeO3 Thin Films
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7:2:32:17 Structure and Electrical Properties of Rare Earth Substituted Bi(Fe0.975Cu0.025)O3-delta Thin Films Prepared by Chemical Solution Deposition
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7:2:32:18 Valence-driven electrical behavior of manganese-modified bismuth ferrite thin films
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7:2:32:19 Combined effects of bilayer structure and ion substitutions on bismuth ferrite thin films
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7:2:32:20 Epitaxial SrRuO3/BiFeO3/SrRuO3 heterostructure sputtered at low temperature
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7:2:32:21 Microstructure and texture development in single layered and heterolayered PZT thin films
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7:2:32:22 Simulation of the initial polarization curves and hysteresis loops for ferroelectric films by an extensive time-dependent Ginzburg-Landau model
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7:2:32:23 Effect of bilayer structure and a SrRuO3 buffer layer on ferroelectric properties of BiFeO3 thin films
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7:2:32:24 Compositionally graded bismuth ferrite thin films
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7:2:32:25 Temperature and frequency dependences of the electric properties of CLBO crystals
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7:2:32:26 The use of fractional derivation in modeling ferroelectric dynamic hysteresis behavior over large frequency bandwidth
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7:2:33:1 Direct Observation of Capacitor Switching Using Planar Electrodes
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7:2:33:2 Nanoscale Dynamics of Superdomain Boundaries in Single-Crystal BaTiO3 Lamellae
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7:2:33:3 Non-Kolmogorov-Avrami-Ishibashi Switching Dynamics in Nanoscale Ferroelectric Capacitors
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7:2:33:4 Nanoscale Observation of Time-Dependent Domain Wall Pinning as the Origin of Polarization Fatigue
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7:2:33:5 Accessing intermediate ferroelectric switching regimes with time-resolved transmission electron microscopy
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7:2:33:6 Mechanism of Polarization Fatigue in BiFeO3
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7:2:33:7 Polarization switching in quasiplanar BiFeO3 capacitors
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7:2:33:8 X-ray nanodiffraction of tilted domains in a poled epitaxial BiFeO3 thin film
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7:2:33:9 Real-Time Observation of Local Strain Effects on Nonvolatile Ferroelectric Memory Storage Mechanisms
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7:2:33:10 Switching kinetics in epitaxial BiFeO3 thin films
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7:2:33:11 Phase field model of domain dynamics in micron scale, ultrathin ferroelectric films: Application for multiferroic bismuth ferrite
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7:2:33:12 X-ray diffraction studies of stripelike ferroelectric domains in thin films of BiFeO3
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7:2:33:13 Tunable oxygen vacancy configuration by strain engineering in perovskite ferroelectrics from first-principles study
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7:2:33:14 The Effect of Antinotches on Domain Wall Mobility in Single Crystal Ferroelectric Nanowires
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7:2:33:15 Exploration of the intrinsic inertial response of ferroelectric domain walls via molecular dynamics simulations
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7:2:33:16 Twin wall distortions through structural investigation of epitaxial BiFeO3 thin films
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7:2:33:17 Growth temperature dependent dielectric properties of BiFeO3 thin films deposited on silica glass substrates
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7:2:33:18 Reinterpretation of the bond-valence model with bond-order formalism: An improved bond-valence-based interatomic potential for PbTiO3
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7:2:33:19 Magnetic behavior in LiNbO3 nanocrystallites caused by oxygen vacancies
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7:2:34:1 Ab initio study of ferroelectric closure domains in ultrathin PbTiO3 films
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7:2:34:2 Multiferroic Grain Boundaries in Oxygen-Deficient Ferroelectric Lead Titanate
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7:2:34:3 Hybrid Hartree-Fock density functional study of charged point defects in ferroelectric PbTiO3
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7:2:34:4 Absence of Ferroelectric Critical Size in Ultrathin PbTiO3 Nanotubes: A Density-Functional Theory Study
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7:2:34:5 Emergence of ferromagnetism at a vacancy on a non-magnetic ferroelectric PbTiO3 surface: A first-principles study
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7:2:34:6 The origin of magnetism in perovskite ferroelectric ABO(3) nanoparticles (A = K,Li; B = Ta,Nb or A = Ba,Sr,Pb; B = Ti)
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7:2:34:7 First-principles study of the interplay between grain boundaries and domain walls in ferroelectric PbTiO3
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7:2:34:8 Ferroelectric domain structure of PbZr0.35Ti0.65O3 single crystals by piezoresponse force microscopy
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7:2:34:9 Coexistence of rectilinear and vortex polarizations at twist boundaries in ferroelectric PbTiO3 from first principles
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7:2:34:10 Vacancy-driven ferromagnetism in ferroelectric PbTiO3
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7:2:34:11 Charged vacancies in ferroelectric PbTiO3: Formation energies, optimal Fermi region, and influence on local polarization
DOI:10.1103/PhysRevB.84.064112 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Yao, Yanpeng;Fu, Huaxiang;
7:2:34:12 Upward ferroelectric self-polarization induced by compressive epitaxial strain in (001) BaTiO3 films
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7:2:34:13 Upward ferroelectric self-poling in (001) oriented PbZr0.2Ti0.8O3 epitaxial films with compressive strain
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7:2:34:14 Multiferroic Properties of Nanocrystalline PbTiO3 Ceramics
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7:2:34:15 Temperature Gradient Introduced Ferroelectric Self-Poling in BiFeO3 Ceramics
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7:2:34:16 Anion vacancy-driven magnetism in incipient ferroelectric SrTiO(3) and KTaO(3) nanoparticles
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7:2:34:17 Vacancy-driven magnetism in nonmagnetic double perovskite Sr2AlNbO6: A first-principles study
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7:2:34:18 Multiferroic response of nanocrystalline lithium niobate
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7:2:34:19 Magnetic structure of double perovskites Ca2MWO6 (M = Co, Ni): A first principles study
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7:2:35:1 Skin Layer of BiFeO3 Single Crystals
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7:2:35:2 Giant Effect of Uniaxial Pressure on Magnetic Domain Populations in Multiferroic Bismuth Ferrite
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7:2:35:3 Surface phase transitions in BiFeO3 below room temperature
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7:2:35:4 Photoluminescence and time-resolved spectroscopy in multiferroic BiFeO3: Effects of electric fields and sample aging
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7:2:35:5 Electric control of magnon frequencies and magnetic moment of bismuth ferrite thin films at room temperature
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7:2:35:6 Melting of Bi Sublattice in Nanosized BiFeO3 Perovskite by Resonant X-Ray Diffraction
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7:2:35:7 Magnon Raman spectroscopy and in-plane dielectric response in BiFeO3: Relation to the Polomska transition
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7:2:35:8 Photoconductivity and photo-detection response of multiferroic bismuth iron oxide
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7:2:35:9 Surface double-layer structure in (110) oriented BiFeO3 thin film
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7:2:35:10 Local properties of the surface layer(s) of BiFeO3 single crystals
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7:2:35:11 Regular nanodomain vertex arrays in BiFeO3 single crystals
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7:2:35:12 Revisiting the low-temperature dielectric properties of ZnO
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7:2:35:13 Magnetoelectric relaxation in rhombohedral LiNbO3-CoFe2O4
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7:2:35:14 Non-linear dielectric properties of BiFeO3 ceramics
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7:2:35:15 Direct imaging of both ferroelectric and antiferromagnetic domains in multiferroic BiFeO3 single crystal using x-ray photoemission electron microscopy
DOI:10.1063/1.3679101 JN:APPLIED PHYSICS LETTERS PY:2012 TC:2 AU: Moubah, R.;Elzo, M.;El Moussaoui, S.;Colson, D.;Jaouen, N.;Belkhou, R.;Viret, M.;
7:2:35:16 Domain Structure in the Tetragonal Phase of BaTiO3- from Bulk to Nanoparticles
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7:2:35:17 Synthesis and properties of bismuth ferrite multiferroic flowers
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7:2:35:18 Tunable dielectric characteristics of Mn-doped BiFeO3 multiferroic ceramics
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7:2:35:19 Element-specific structure of materials with intrinsic disorder by high-energy resonant x-ray diffraction and differential atomic pair-distribution functions: A study of PtPd nanosized catalysts
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7:2:35:20 Domains and Domain Walls in Multiferroic Ferroelectric-Ferromagnet and Control of Its Modulation
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7:2:36:1 Ultrahigh Density Array of Epitaxial Ferroelectric Nanoislands on Conducting Substrates
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7:2:36:2 A Nonvolatile Memory Device Made of a Ferroelectric Polymer Gate Nanodot and a Single-Walled Carbon Nanotube
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7:2:36:3 BiFeO3 nanodots prepared via dip-pen lithography on Nb-doped SrTiO3 and highly ordered pyrolytic graphite substrates
DOI:10.1063/1.4817407 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Kim, Woo-Hee;Son, Jong Yeog;
7:2:36:4 Ferroelectric nanostructures fabricated by focused-ion-beam milling in epitaxial BiFeO3 thin films
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7:2:36:5 Epitaxial BiFeO3 nanostructures fabricated by differential etching of BiFeO3 films
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7:2:36:6 The effects of La substitution on ferroelectric domain structure and multiferroic properties of epitaxially grown BiFeO3 thin films
DOI:10.1063/1.4822327 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Kim, Woo-Hee;Son, Jong Yeog;
7:2:36:7 Dip-Pen Lithography of BiFeO3 Nanodots
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7:2:36:8 Colors of graphene and graphene-oxide multilayers on various substrates
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7:2:36:9 Improvement of transfer characteristic for carbon nanotube field effect transistor with poly crystalline PbZrxTi1-xO3 gate by ionic liquid
DOI:10.1063/1.3665186 JN:APPLIED PHYSICS LETTERS PY:2011 TC:4 AU: Kataoka, Shogo;Arie, Takayuki;Akita, Seiji;
7:2:36:10 Ferroelectric field-effect transistors based on multi-walled carbon nanotube micron-wide stripe arrays
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7:2:36:11 Ferroelectric properties of BiFeO3 nanodots shattered by atomic force microscope
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7:2:36:12 Tetragonally strained BiFeO3 thin film on single crystal Rh substrate
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7:2:36:13 Mask assisted fabrication of nanoislands of BiFeO3 by ion beam milling
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7:2:36:14 Ferroelectric PbTiO3 Nanodots Shattered Using Atomic Force Microscopy
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7:2:36:15 Rearrangement of Multiferroic BiFeO3 Nanodots Smaller than 15 nm Using Atomic Force Microscopy
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7:2:36:16 Resistive switching characteristics of ferroelectric BiFeO3 nanodot prepared by dip-pen nanolithography
DOI:10.1016/j.matlet.2014.01.157 JN:MATERIALS LETTERS PY:2014 TC:0 AU: Kim, Woo-Hee;Son, Jong Yeog;
7:2:36:17 Crystal growth of ferroelectric PbTiO3 nanocrystals on silicon substrate via intermediates
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7:2:36:18 Molecular-mediated crystal growth of PbTiO3 nanostructure on silicon substrate
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7:2:36:19 Ferroelectric domain wall motion in epitaxial PbTiO3 and BiFeO3 thin films
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7:2:36:20 The electrical and switching properties of a metal-ferroelectric (Bi3.15Nd0.85Ti3O12)-insulator (Y2O3-stabilized ZrO2)-silicon diode
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7:2:36:21 Variation in ferroelectric polarization direction of epitaxial (001) SrBi2Ta2O9 thin film induced by oxygen vacancy
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7:2:36:22 Monodisperse hollow perovskite BaTiO3 nanostructures prepared by a sol gel hydrothermal method
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7:2:36:23 Addressable Metal-Ferroelectric-Metal Nanocapacitor Arrays Fabricated by Focused Ion Beam Milling
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7:2:36:24 Improved Room-Temperature Ferromagnetism in Self-Assembled Disk-Like Superstructures of Fe-Doped PbTiO(3) Nanocrystals
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7:2:37:1 Preface to Special Topic: Invited Papers from the International Symposium on Piezoresponse Force Microscopy and Nanoscale Phenomena in Polar Materials, Aveiro, Portugal, 2009
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7:2:37:2 Real-Time Direct Observations of Polarization Reversal in a Piezoelectric Crystal: Pb(Mg1/3Nb2/3)O-3-PbTiO3 Studied via In Situ Electrical Biasing Transmission Electron Microscopy
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7:2:37:3 Real space mapping of polarization dynamics and hysteresis loop formation in relaxor-ferroelectric PbMg1/3Nb2/3O3-PbTiO3 solid solutions
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7:2:37:4 Ferroelectric domain structures of 0.4-mu m-thick Pb(Zr,Ti)O-3 films prepared by polyvinylpyrrolidone-assisted Sol-Gel method
DOI:10.1063/1.3693042 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Yamano, Akihiro;Takata, Keiji;Kozuka, Hiromitsu;
7:2:37:5 Evolution of nanodomains under DC electrical bias in Pb(Mg1/3Nb2/3) O-3-PbTiO3: An In-situ transmission electron microscopy study
DOI:10.1063/1.4705418 JN:APPLIED PHYSICS LETTERS PY:2012 TC:8 AU: Sato, Yukio;Hirayama, Tsukasa;Ikuhara, Yuichi;
7:2:37:6 Lateral piezoelectric response across ferroelectric domain walls in thin films
DOI:10.1063/1.3474953 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:14 AU: Guyonnet, J.;Bea, H.;Paruch, P.;
7:2:37:7 Domain evolution processes during poling of a near-morphotropic Pb(Zr, Ti)O-3 ceramic
DOI:10.1063/1.4804955 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Kim, K. L.;Tsou, N. T.;Huber, J. E.;
7:2:37:8 Piezoresponse force microscopy studies of the triglycine sulfate-based nanofibers
DOI:10.1063/1.3474966 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:11 AU: Isakov, D. V.;Gomes, E. de Matos;Almeida, B. G.;Bdikin, I. K.;Martins, A. M.;Kholkin, A. L.;
7:2:37:9 Local probing of magnetoelectric coupling in multiferroic composites of BaFe12O19-BaTiO3
DOI:10.1063/1.3474967 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:16 AU: Karpinsky, D. V.;Pullar, R. C.;Fetisov, Y. K.;Kamentsev, K. E.;Kholkin, A. L.;
7:2:37:10 Investigation of the ferroelectric-relaxor transition in PbMg1/3Nb2/3O3-PbTiO3 ceramics by piezoresponse force microscopy
DOI:10.1063/1.3474962 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:15 AU: Shvartsman, V. V.;Kholkin, A. L.;
7:2:37:11 Ferroelectric microdomains and microdomain arrays recorded in strontium-barium niobate crystals in the field of atomic force microscope
DOI:10.1063/1.3474965 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:14 AU: Volk, Tatiana R.;Simagina, Liliya V.;Gainutdinov, Radmir V.;Tolstikhina, Alla L.;Ivleva, Lyudmila I.;
7:2:37:12 Monoclinic nanodomains in morphotropic phase boundary Pb(Mg1/3Nb2/3)O-3-PbTiO3
DOI:10.1063/1.4866791 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Sato, Y.;Hirayama, T.;Ikuhara, Y.;
7:2:37:13 Correlation of electron backscatter diffraction and piezoresponse force microscopy for the nanoscale characterization of ferroelectric domains in polycrystalline lead zirconate titanate
DOI:10.1063/1.3474940 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:6 AU: Burnett, T. L.;Weaver, P. M.;Blackburn, J. F.;Stewart, M.;Cain, M. G.;
7:2:37:14 Analysis of the degradation induced by focused ion Ga3+ beam for the realization of piezoelectric nanostructures
DOI:10.1063/1.3474963 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:5 AU: Remiens, D.;Liang, R. H.;Soyer, C.;Deresmes, D.;Troadec, D.;Quignon, S.;Da Costa, A.;Desfeux, R.;
7:2:37:15 Second harmonic generation in microdomain gratings fabricated in strontium-barium niobate crystals with an atomic force microscope
DOI:10.1063/1.3624800 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Simagina, L. V.;Mishina, E. D.;Semin, S. V.;Ilyin, N. A.;Volk, T. R.;Gainutdinov, R. V.;Ivleva, L. I.;
7:2:37:16 Microdomain Arrays Fabricated in Strontium-Barium Niobate Crystals by Microscopic Methods
DOI:10.1080/00150193.2013.776360 JN:FERROELECTRICS PY:2013 TC:0 AU: Volk, T. R.;Gainutdinov, R. V.;Bodnarchuk, Ya. V.;Simagina, L. V.;Mishina, E. D.;Ilyin, N. A.;Artemov, V. V.;Ivleva, L. I.;
7:2:37:17 Drive frequency dependent phase imaging in piezoresponse force microscopy
DOI:10.1063/1.3474956 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Bo, Huifeng;Kan, Yi;Lu, Xiaomei;Liu, Yunfei;Peng, Song;Wang, Xiaofei;Cai, Wei;Xue, Ruoshi;Zhu, Jinsong;
7:2:37:18 Production and PFM Characterization of Barium Titanate Nanofibers
DOI:10.1080/00150193.2012.676950 JN:FERROELECTRICS PY:2012 TC:2 AU: Sa, P.;Bdikin, I.;Almeida, B.;Rolo, A. G.;Isakov, D.;
7:2:37:19 Diffraction theory of nanotwin superlattices with low symmetry phase: Adaptive diffraction of imperfect nanotwin superlattices
DOI:10.1080/14786430903147106 JN:PHILOSOPHICAL MAGAZINE PY:2010 TC:4 AU: Rao, Wei-Feng;Wang, Yu U.;
7:2:38:1 Universal Polarization Switching Behavior of Disordered Ferroelectrics
DOI:10.1002/adfm.201102841 JN:ADVANCED FUNCTIONAL MATERIALS PY:2012 TC:16 AU: Genenko, Yuri A.;Zhukov, Sergey;Yampolskii, Sergey V.;Schuetrumpf, Joerg;Dittmer, Robert;Jo, Wook;Kungl, Hans;Hoffmann, Michael J.;von Seggern, Heinz;
7:2:38:2 Dynamics of polarization reversal in virgin and fatigued ferroelectric ceramics by inhomogeneous field mechanism
DOI:10.1103/PhysRevB.82.014109 JN:PHYSICAL REVIEW B PY:2010 TC:21 AU: Zhukov, Sergey;Genenko, Yuri A.;Hirsch, Ofer;Glaum, Julia;Granzow, Torsten;von Seggern, Heinz;
7:2:38:3 Statistical electric field and switching time distributions in PZT 1Nb2Sr ceramics: Crystal- and microstructure effects
DOI:10.1063/1.4860335 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Zhukov, Sergey;Kungl, Hans;Genenko, Yuri A.;von Seggern, Heinz;
7:2:38:4 Strategies for Fast-Switching in All-Polymer Field Effect Transistors
DOI:10.1002/adfm.201303374 JN:ADVANCED FUNCTIONAL MATERIALS PY:2014 TC:4 AU: Senanayak, Satyaprasad P.;Narayan, K. S.;
7:2:38:5 Experimental and theoretical investigation on polarization reversal in unfatigued lead-zirconate-titanate ceramic
DOI:10.1063/1.3380844 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:16 AU: Zhukov, Sergey;Genenko, Yuri A.;von Seggern, Heinz;
7:2:38:6 Universality of Polarization Switching Dynamics in Ferroelectric Capacitors Revealed by 5D Piezoresponse Force Microscopy
DOI:10.1002/adfm.201300079 JN:ADVANCED FUNCTIONAL MATERIALS PY:2013 TC:6 AU: Kim, Yunseok;Lu, Xiaoli;Jesse, Stephen;Hesse, Dietrich;Alexe, Marin;Kalinin, Sergei V.;
7:2:38:7 Effect of bipolar electric fatigue on polarization switching in lead-zirconate-titanate ceramics
DOI:10.1063/1.3452326 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:9 AU: Zhukov, Sergey;Fedosov, Sergey;Glaum, Julia;Granzow, Torsten;Genenko, Yuri A.;von Seggern, Heinz;
7:2:38:8 Two-step polarization reversal in biased ferroelectrics
DOI:10.1063/1.4881835 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Daniels, John E.;Cozzan, Clayton;Ukritnukun, Supphatuch;Tutuncu, Goknur;Andrieux, Jerome;Glaum, Julia;Dosch, Chris;Jo, Wook;Jones, Jacob L.;
7:2:38:9 Switching of Ferroelectrics Without Domains
DOI:10.1002/adma.201003264 JN:ADVANCED MATERIALS PY:2010 TC:11 AU: Scott, James F.;
7:2:38:10 Self-consistent model of polarization switching kinetics in disordered ferroelectrics
DOI:10.1063/1.4818951 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Genenko, Yuri A.;Wehner, Jens;von Seggern, Heinz;
7:2:38:11 Polarization switching properties of spray deposited CsNO3: PVA composite films
DOI:10.1007/s00339-010-5699-8 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:6 AU: Nautiyal, Arvind;Sekhar, K. C.;Pathak, N. P.;Dabra, Navneet;Hundal, Jasbir S.;Nath, R.;
7:2:38:12 Analysis of ferroelectric polarization switching in (NH4)(0.39)K0.61NO3 films using nucleation limited switching model
DOI:10.1063/1.3457228 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:5 AU: Dabra, Navneet;Hundal, Jasbir S.;Nautiyal, A.;Sekhar, K. C.;Nath, R.;
7:2:38:13 Study of domain reversal and its field-dependence in epitaxial BaTiO3 thin films
DOI:10.1063/1.3410795 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:3 AU: Li, Jianheng;Liu, Zhifu;Wessels, B. W.;
7:2:38:14 Electrical measurements of dielectric nonlinearities in ferroelectric bilayer thin films
DOI:10.1063/1.4792601 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Salev, Pavel;Meisami-Azad, Mandana;Grigoriev, Alexei;
7:2:38:15 Response delay caused by dielectric relaxation of polymer insulators for organic transistors and resolution method
DOI:10.1063/1.4747804 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Suemori, Kouji;Kamata, Toshihide;
7:2:38:16 Role of internal field and exhaustion in ferroelectric switching
DOI:10.1063/1.4856235 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Viola, Giuseppe;Chong, Kok Boon;Guiu, Frank;Reece, Michael John;
7:2:38:17 Electric field inhomogeneity as a cause for fatigue in lead zirconate titanate ferroelectrics
DOI:10.1016/j.ceramint.2011.03.015 JN:CERAMICS INTERNATIONAL PY:2011 TC:0 AU: Cao, Jiang-Li;Peng, Liang;Ren, Yan-Bo;Lei, Rong;Qiao, Lijie;Gu, Hong-Wei;Li, Tao;Guo, Dong;Yue, Zhenxing;
7:2:38:18 Dynamics of ferroelectric switching of [H3CNH3](5)[ Bi2Br11]
DOI:10.1063/1.3677994 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Wojtas, Maciej;Reece, Michael J.;
7:2:38:19 Study of ferroelectric properties of spray pyrolysis deposited cesium nitrate films
DOI:10.1016/j.tsf.2010.03.100 JN:THIN SOLID FILMS PY:2010 TC:2 AU: Nautiyal, Arvind;Sekhar, K. C.;Pathak, N. P.;Nath, R.;
7:2:39:1 Surface Domain Structures and Mesoscopic Phase Transition in Relaxor Ferroelectrics
DOI:10.1002/adfm.201002582 JN:ADVANCED FUNCTIONAL MATERIALS PY:2011 TC:43 AU: Kholkin, Andrei;Morozovska, Anna;Kiselev, Dmitry;Bdikin, Igor;Rodriguez, Brian;Wu, Pingping;Bokov, Alexei;Ye, Zuo-Guang;Dkhil, Brahim;Chen, Long-Qing;Kosec, Marija;Kalinin, Sergei V.;
7:2:39:2 Direct evidence of mesoscopic dynamic heterogeneities at the surfaces of ergodic ferroelectric relaxors
DOI:10.1103/PhysRevB.81.064107 JN:PHYSICAL REVIEW B PY:2010 TC:34 AU: Kalinin, S. V.;Rodriguez, B. J.;Budai, J. D.;Jesse, S.;Morozovska, A. N.;Bokov, A. A.;Ye, Z. -G.;
7:2:39:3 Piezoresponse force microscopy studies on the domain structures and local switching behavior of Pb(In1/2Nb1/2)O-3-Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals
DOI:10.1063/1.4745979 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:9 AU: Li, Qian;Liu, Yun;Withers, Ray L.;Wan, Yuhui;Li, Zhenrong;Xu, Zhuo;
7:2:39:4 Observation of short-lived local polar states induced by applied tip biases in BaTiO3-based relaxor ferroelectric ceramics
DOI:10.1063/1.4813541 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Li, Qian;Liu, Yun;Cheng, Zhao;Bian, Jianjiang;Chen, Hua;Withers, Ray L.;
7:2:39:5 Fully-inverted piezoresponse hysteresis loops mediated by charge injection in 0.29Pb(In1/2Nb1/2)O-3-0.44Pb(Mg1/3Nb2/3)O-3-0.27PbTiO(3) single crystals
DOI:10.1063/1.3562034 JN:APPLIED PHYSICS LETTERS PY:2011 TC:10 AU: Li, Qian;Liu, Yun;Schiemer, Jason;Smith, Paul;Li, Zhenrong;Withers, Ray L.;Xu, Zhuo;
7:2:39:6 Macroscopic and local piezoelectric properties of Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals exhibiting giant piezoelectric response
DOI:10.1063/1.4801964 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Shvartsman, V. V.;Kholkin, A. L.;Raevski, I. P.;Raevskaya, S. I.;Savenko, F. I.;Emelyanov, A. S.;
7:2:39:7 Electrochemical strain microscopy of silica glasses
DOI:10.1063/1.4891349 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:3 AU: Proksch, R.;
7:2:39:8 Phase diagram and domain splitting in thin ferroelectric films with incommensurate phase
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7:2:39:9 Local domain engineering in relaxor 0.77PbMg(1/3)Nb(2/3)O(3)-0.23PbSc(1/2)Nb(1/2)O(3) single crystals
DOI:10.1063/1.3624812 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Bdikin, I. K.;Gracio, J.;Kiselev, D. A.;Raevskaya, S. I.;Raevski, I. P.;Prosandeev, S. A.;Kholkin, A. L.;
7:2:39:10 Piezoresponse force microscopic study of ferroelectric (1-x)Pb(Sc1/2Nb1/2)O-3-xPbTiO(3) and Pb(Sc1/2Nb1/2)O-3 single crystals
DOI:10.1063/1.4746083 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Guo, H. Y.;Bing, Y. H.;Ye, Z. -G.;
7:2:39:11 Dielectric and Heat Capacity Study of (Pb(Mg1/3Nb2/3)O-3)(0.74)-(PbTiO3)(0.26) Ferroelectric Relaxor Near the Cubic-Tetragonal-Rhombohedral Triple Point
DOI:10.1080/00150193.2012.675268 JN:FERROELECTRICS PY:2012 TC:2 AU: Novak, Nikola;Cordoyiannis, George;Kutnjak, Zdravko;
7:2:39:12 Simulation of Relaxation Times Distribution for Relaxors using Distribution of Three-Dimensional Ising-Type Clusters
DOI:10.1080/00150193.2011.577370 JN:FERROELECTRICS PY:2011 TC:1 AU: Grigalaitis, R.;Lapinskas, S.;Banys, J.;Tornau, E. E.;
7:2:39:13 Theoretical Prediction and Direct Observation of Metastable Non-Polar Regions in Domain Structure of Sn2P2S6 Ferroelectrics with Triple-Well Potential
DOI:10.1080/00150193.2012.741935 JN:FERROELECTRICS PY:2012 TC:1 AU: Kiselev, D. A.;Rushchanskii, K. Z.;Bdikin, I. K.;Malinkovich, M. D.;Parkhomenko, Y. N.;Vysochanskii, Yu. M.;
7:2:40:1 Magnetoelastic coupling and multiferroic ferroelastic/magnetic phase transitions in the perovskite KMnF3
DOI:10.1103/PhysRevB.85.224430 JN:PHYSICAL REVIEW B PY:2012 TC:11 AU: Carpenter, M. A.;Salje, E. K. H.;Howard, Christopher J.;
7:2:40:2 Microstructure dynamics in orthorhombic perovskites
DOI:10.1103/PhysRevB.82.014113 JN:PHYSICAL REVIEW B PY:2010 TC:19 AU: Zhang, Zhiying;Koppensteiner, Johannes;Schranz, Wilfried;Betts, Jonathan B.;Migliori, Albert;Carpenter, Michael A.;
7:2:40:3 Strain coupling in multiferroic phase transitions of samarium yttrium manganite Sm0.6Y0.4MnO3
DOI:10.1103/PhysRevB.88.054108 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Schiemer, Jason;O'Flynn, Daniel;Balakrishnan, Geetha;Carpenter, Michael A.;
7:2:40:4 Elastic and anelastic relaxations associated with the incommensurate structure of Pr0.48Ca0.52MnO3
DOI:10.1103/PhysRevB.82.134123 JN:PHYSICAL REVIEW B PY:2010 TC:11 AU: Carpenter, Michael A.;Howard, Christopher J.;McKnight, Ruth E. A.;Migliori, Albert;Betts, Jon B.;Fanelli, Victor R.;
7:2:40:5 Ferroelastic phase transitions and anelastic dissipation in the LaAlO3-PrAlO3 solid solution series
DOI:10.1103/PhysRevB.82.214111 JN:PHYSICAL REVIEW B PY:2010 TC:14 AU: Thomson, R. I.;Rawson, J. M.;Howard, C. J.;Turczynski, S.;Pawlak, D. A.;Lukasiewicz, T.;Carpenter, M. A.;
7:2:40:6 Elastic anomalies due to structural phase transitions in mechanoluminescent SrAl2O4:Eu
DOI:10.1063/1.3269723 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:11 AU: Carpenter, M. A.;Howard, C. J.;Andrew, M. J.;McKnight, R. E. A.;Liu, Y.;Withers, R. L.;
7:2:40:7 Symmetry and strain analysis of structural phase transitions in Pr0.48Ca0.52MnO3
DOI:10.1103/PhysRevB.82.094101 JN:PHYSICAL REVIEW B PY:2010 TC:12 AU: Carpenter, Michael A.;McKnight, Ruth E. A.;Howard, Christopher J.;Knight, Kevin S.;
7:2:40:8 Magnetoelastic coupling in the organic radical beta-p-NCC6F4CNSSN
DOI:10.1103/PhysRevB.84.104450 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Thomson, R. I.;Wright, E. S. L.;Rawson, J. M.;Howard, C. J.;Carpenter, M. A.;
7:2:40:9 Impact of Jahn-Teller active Mn3+ on strain effects and phase transitions in Sr0.65Pr0.35MnO3
DOI:10.1103/PhysRevB.85.104107 JN:PHYSICAL REVIEW B PY:2012 TC:10 AU: Tan, Teck-Yee;Kennedy, Brendan J.;Zhou, Qingdi;Ling, Christopher D.;Miiller, Wojciech;Howard, Christopher J.;Carpenter, Michael A.;Knight, Kevin S.;
7:2:40:10 Giant domain wall response of highly twinned ferroelastic materials
DOI:10.1063/1.4757992 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Schranz, W.;Kabelka, H.;Sarras, A.;Burock, M.;
7:2:40:11 Thermoelastic and structural properties of ionically conducting cerate perovskites: (I) BaCeO3 at low temperature in the Pbnm phase
DOI:10.1016/j.ssi.2012.11.005 JN:SOLID STATE IONICS PY:2013 TC:5 AU: Knight, Kevin S.;Bonanos, Nikolaos;
7:2:40:12 Superelastic softening in perovskites
DOI:10.1103/PhysRevB.83.094120 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Schranz, W.;
7:2:40:13 Phase Transitions in the Brominated Ferroelectric Tris-Sarcosine Calcium Chloride
DOI:10.1002/adma.201305065 JN:ADVANCED MATERIALS PY:2014 TC:1 AU: Lashley, J. C.;Munns, J. H. D.;Echizen, M.;Ali, M. N.;Rowley, S. E.;Scott, J. F.;
7:2:40:14 Superelastic Softening of Ferroelastic Multidomain Crystals
DOI:10.1080/00150193.2012.671754 JN:FERROELECTRICS PY:2012 TC:3 AU: Schranz, W.;Kabelka, H.;Troester, A.;
7:2:40:15 Elastic coupling and anelastic relaxation associated with multiple phase transitions in para-chloroanilinium tetrachlorocuprate, [p-ClC6H4NH3](2)CuCl4
DOI:10.1016/j.matchemphys.2012.11.031 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2013 TC:4 AU: Thomson, Richard I.;Rawson, Jeremy M.;Goeta, Andres;Probert, Michael R.;Coome, Jonathan A.;Hoang, Tuan K. A.;Carpenter, Michael A.;
7:2:40:16 Crystal structures, strain analysis, and physical properties of Sr0.7Ce0.3MnO3
DOI:10.1103/PhysRevB.85.174110 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Zhang, Zhaoming;Kennedy, Brendan J.;Howard, Christopher J.;Carpenter, Michael A.;Miiller, Wojciech;Knight, Kevin S.;Matsuda, Motohide;Miyake, Michihiro;
7:2:40:17 High temperature proton transport in BaCe0.95Th0.05O3 (-) (delta) perovskite
DOI:10.1016/j.ceramint.2014.03.076 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Nieto, S.;Roque-Malherbe, R.;Polanco, R.;Fuentes-Cobas, L.;Katiya, R. S.;
7:2:40:18 First-principles study of structural, electronic, vibrational, dielectric and elastic properties of tetragonal Ba2YTaO6
DOI:10.1063/1.4897452 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Ganeshraj, C.;Santhosh, P. N.;
7:2:40:19 Phase diagram and phase transitions in ferroelectric tris-sarcosine calcium chloride and its brominated isomorphs
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7:2:40:20 Equation of state of CaMnO3: a combined experimental and computational study
DOI:10.1007/s00339-013-7577-7 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:3 AU: Paszkowicz, Wojciech;Woodley, Scott M.;Piszora, Pawel;Bojanowski, Bohdan;Pietosa, Jaroslaw;Cerenius, Yngve;Carlson, Stefan;Martin, Christine;
7:2:40:21 Investigation of structure and oxygen permeability of Ba-Ce-Co-Fe-O system
DOI:10.1016/j.materresbull.2010.06.006 JN:MATERIALS RESEARCH BULLETIN PY:2010 TC:5 AU: Li, Qiming;Zhu, Xuefeng;Yang, Weishen;
7:2:40:22 Structural phase transitions in Pr1-xLaxAlO3: Heat capacity and x-ray scattering studies
DOI:10.1103/PhysRevB.89.174106 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Tachibana, Makoto;Fritsch, Katharina;Gaulin, Bruce D.;
7:2:41:1 Pressure-Induced Spin-State Transition in BiCoO3
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7:2:41:2 Spin-State Crossover and Hyperfine Interactions of Ferric Iron in MgSiO3 Perovskite
DOI:10.1103/PhysRevLett.106.118501 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:52 AU: Hsu, Han;Blaha, Peter;Cococcioni, Matteo;Wentzcovitch, Renata M.;
7:2:41:3 Electronic structure of BiMO3 multiferroics and related oxides
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7:2:41:4 Cobalt spin states and hyperfine interactions in LaCoO3 investigated by LDA+U calculations
DOI:10.1103/PhysRevB.82.100406 JN:PHYSICAL REVIEW B PY:2010 TC:15 AU: Hsu, Han;Blaha, Peter;Wentzcovitch, Renata M.;Leighton, C.;
7:2:41:5 Pressure-Induced Crystal Structure and Spin-State Transitions in Magnetite (Fe3O4)
DOI:10.1021/ja305167h JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2012 TC:4 AU: Ju, Sheng;Cai, Tian-Yi;Lu, Hai-Shuang;Gong, Chang-De;
7:2:41:6 A Complete High-to-Low spin state Transition of Trivalent Cobalt Ion in Octahedral Symmetry in SrCo0.5Ru0.5O3-delta
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7:2:41:7 Ab initio study of the giant ferroelectric distortion and pressure-induced spin-state transition in BiCoO3
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7:2:41:8 Cascade of Magnetic Field Induced Spin Transitions in LaCoO3
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7:2:41:9 An ab initio study of electronic structure and optical properties of multiferroic perovskites PbVO3 and BiCoO3
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7:2:41:10 Rare case of magnetic Ag3+ ion: Double perovskite Cs2KAgF6
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7:2:41:11 Density functional investigations on electronic structures, magnetic ordering and ferroelectric phase transition in multiferroic Bi2NiMnO6
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7:2:41:12 First principle calculations for pressure induced structural phase transitions of Fe doped in SrMnO3
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7:2:41:13 Co-O-O-Co superexchange pathways enhanced by small charge-transfer energy in multiferroic BiCoO3
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7:2:41:14 Pressure-driven changes in electronic structure of BiCoO3
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7:2:41:15 Effects of spin transition on diffusion of Fe2+ in ferropericlase in Earth's lower mantle
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7:2:41:16 Ab initio energetics of charge compensating point defects: A case study on MgO
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7:2:42:1 Multiferroic properties and surface potential behaviors in cobalt-doped BiFeO3 film
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7:2:42:2 Electric field and surface charge effects on ferroelectric domain dynamics in BaTiO3 single crystal
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7:2:42:3 Effect of local surface potential distribution on its relaxation in polycrystalline ferroelectric films
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7:2:42:4 Humidity effect on BaTiO3 c-domain surface potential inversion induced by electric field
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7:2:42:5 Electric field and humidity effects on adsorbed water behavior on BaTiO3 ferroelectric domains studied by scanning probe microscopy
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7:2:42:6 Humidity effects on (001) BaTiO3 single crystal surface water adsorption
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7:2:42:7 Surface screening of written ferroelectric domains in ambient conditions
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7:2:42:8 Temperature change effect on BaTiO3 single crystal surface around domain walls
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7:2:42:9 Stable bipolar surface potential behavior of copper-doped zinc oxide films studied by Kelvin probe force microscopy
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7:2:42:10 Orientation-dependent surface potential behavior in Nb-doped BiFeO3
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7:2:42:11 Humidity effects on tip-induced polarization switching in lithium niobate
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7:2:42:12 The effect of humidity on nano-scaled domain switching in LiNbO3 single crystal
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7:2:42:13 Enhancement of magnetization at morphotropic phase boundary in epitaxial BiCoO3-BiFeO3 solid solution films grown on SrTiO3 (100) substrates
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7:2:42:14 Mg-doped Bi0.8Ca0.2FeO3 with enhanced ferromagnetic properties
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7:2:42:15 Investigation of the ferroelectric properties and dynamics of nanodomains in LiNbO3 thin films grown on Si (100) substrate by scanning probe microscopy techniques
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7:2:42:16 In-situ nanoscale mapping of surface potential in all-solid-state thin film Li-ion battery using Kelvin probe force microscopy
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7:2:42:17 Leakage current under high electric fields and magnetic properties in Co and Mn co-substituted BiFeO3 polycrystalline films
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7:2:42:18 Bipolar Charge Storage Characteristics in Copper and Cobalt Co-doped Zinc Oxide (ZnO) Thin Film
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7:2:43:1 Synthesis and photocatalytic performance of the electrospun Bi2Fe4O9 nanofibers
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7:2:43:2 Polyacrylamide gel synthesis and photocatalytic performance of Bi2Fe4O9 nanoparticles
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7:2:43:3 A facile approach to pure-phase Bi2Fe4O9 nanoparticles sensitive to visible light
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7:2:43:4 Off-stoichiometry effects on BiFeO3 thin films
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7:2:43:5 Phonon and magnon scattering of antiferromagnetic Bi2Fe4O9
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7:2:43:6 Exchange bias effect in Bi2Fe3AlO9 ceramics
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7:2:43:7 Effect of antiferromagnetic order on the dielectric properties of Bi2Fe4O9
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7:2:43:8 Effects of Ti-doping on the structural, electrical and multiferroic properties of Bi2Fe4O9 thin films
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7:2:43:9 Effects of Ho and Ti Doping on Structural and Electrical Properties of BiFeO3 Thin Films
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7:2:43:10 Enhanced multiferroic properties in Ti-doped Bi2Fe4O9 ceramics
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7:2:43:11 Enhanced magnetic and ferroelectric properties in scandium doped nano Bi2Fe4O9
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7:2:43:12 Synthesis and Photocatalytic Property of Preferred-oriented Bi2Fe4O9 Crystals by Using Different Organic Additives
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7:2:43:13 Enhanced photocatalytic activity in Al-substituted Bi2Fe4O9 submicrocrystals
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7:2:43:14 Synthesis of Bi2Fe4O9 via PVA sol-gel route
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7:2:43:15 Mixed valence of iron inside tetrahedral and pseudopyramids in BiFe2O5-delta
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7:2:43:16 Magnetic and dielectric properties of the PbFeBO4 single crystal
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7:2:43:17 Optimizing phase and microstructure of chemical solution-deposited bismuth ferrite (BiFeO3) thin films to reduce DC leakage
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7:2:44:1 Evidence for local monoclinic structure, polarization rotation, and morphotropic phase transitions in (1-x)BiFeO3-xBaTiO(3) solid solutions: A high-energy synchrotron x-ray powder diffraction study
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7:2:44:2 Magnetic transitions and site-disordered induced weak ferromagnetism in (1-x)BiFeO3-xBaTiO(3)
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7:2:44:3 Multiferroic and piezoelectric properties of 0.65BiFeO(3)-0.35BaTiO(3) ceramic with pseudo-cubic symmetry
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7:2:44:5 Finite-temperature properties of (BiFeO3)(x)(BaTiO3)(1-x) solid solutions
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7:2:44:6 Ferroic states and phase coexistence in BiFeO3-BaTiO3 solid solutions
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7:2:44:7 Enhanced Multiferroic and Magnetocapacitive Properties of ( 1-x) Ba0.7Ca0.3TiO3-xBiFeO3 Ceramics
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7:2:44:8 0.7BiFeO(3)-0.3BaTiO(3)-Y3Fe5O12 composites with simultaneously improved electrical and magnetic properties
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7:2:44:9 Neutron powder diffraction study of nuclear and magnetic structures of multiferroic (Bi0.8Ba0.2)(Fe0.8Ti0.2)O-3: Evidence for isostructural phase transition and magnetoelastic and magnetoelectric couplings
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7:2:44:10 Evidence for weak ferromagnetism, isostructural phase transition, and linear magnetoelectric coupling in the multiferroic Bi0.8Pb0.2Fe0.9Nb0.1O3 solid solution
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7:2:44:11 Measurement and Estimation of Ferroelectric Hysteresis Loops
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7:2:44:12 Structural Refinement and Ferroic Properties in BiFeO3-Based Compounds
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7:2:44:13 Structural and Multiferroic Properties of 1-x(Bi0.85La0.15)FeO3-xPbTiO(3) Solid Solutions
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7:2:45:1 Nanostructured Ferroelectrics: Fabrication and Structure-Property Relations
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7:2:45:3 Individual switching of film-based nanoscale epitaxial ferroelectric capacitors
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7:2:45:4 Reversible plasma switching in epitaxial BiFeO3 thin films
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7:2:45:5 Anisotropy of domain growth in epitaxial ferroelectric capacitors
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7:2:45:6 Role of measurement voltage on hysteresis loop shape in Piezoresponse Force Microscopy
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7:2:45:7 Towards the limit of ferroelectric nanostructures: switchable sub-10 nm nanoisland arrays
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7:2:45:8 Piezoresponse force microscopy observation of domain switching in Bi3.15Nd0.85Ti3O12 thin film prepared by pulsed laser deposition
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7:2:45:9 Cross talk by extensive domain wall motion in arrays of ferroelectric nanocapacitors
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7:2:45:10 Recent Advances in Functional Testing of Ferroelectric Nanostructures
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7:2:45:11 Polarization Reversal in BiFeO3 Capacitors: Complex Behavior Revealed by PFM
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7:2:45:12 Domain structures and piezoelectric properties of Pb(Zr(0.2)Ti(0.8))O(3) nanocapacitors
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7:2:46:1 Influence of transition elements doping on structural, optical and magnetic properties of BiFeO3 films fabricated by magnetron sputtering
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7:2:46:2 Structure, optical and magnetic properties of Bi1-xEuxFeO3 films fabricated by pulsed laser deposition
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7:2:46:3 Influence of Co doping on structural, optical and magnetic properties of BiFeO3 films deposited on quartz substrates by sol-gel method
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7:2:46:4 Optical properties of BiFeO3-(Na0.5Bi0.5)TiO3 thin films deposited on glass substrates by chemical solution deposition
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7:2:46:5 Influence of rare-earth elements doping on structure and optical properties of BiFe03 thin films fabricated by pulsed laser deposition
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7:2:46:6 Structure and optical properties of BiFe1-xZnxO3 thin films fabricated by pulsed laser deposition
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7:2:46:7 Influence of Zn doping on structural, optical and magnetic properties of BiFeO3 films fabricated by the sol-gel technique
DOI:10.1016/j.matlet.2014.06.142 JN:MATERIALS LETTERS PY:2014 TC:3 AU: Liu, Jian;Deng, Hongmei;Zhai, Xuezhen;Lin, Tie;Meng, Xiangjian;Zhang, Yuanyuan;Zhou, Wenliang;Yang, Pingxiong;Chu, Junhao;
7:2:46:8 Optical and electrical properties of multiferroic bismuth ferrite thin films fabricated by sol-gel technique
DOI:10.1016/j.matlet.2010.07.020 JN:MATERIALS LETTERS PY:2010 TC:25 AU: Huang, Dongji;Deng, Hongmei;Yang, Pingxiong;Chu, Junhao;
7:2:46:9 Microwave hydrothermal synthesis of BiFeO3: Impact of different surfactants on the morphology and photocatalytic properties
DOI:10.1016/j.mssp.2013.08.012 JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING PY:2014 TC:0 AU: Huang, Jing;Tan, Guoqiang;Yang, Wei;Zhang, Lili;Ren, Huijun;Xia, Ao;
7:2:46:10 A study of the optical properties of Bi0.7Ba0.15La0.15FeO3 thin film
DOI:10.1016/j.tsf.2011.01.345 JN:THIN SOLID FILMS PY:2011 TC:3 AU: Luo, B. C.;Chen, C. L.;Jin, K. X.;Zhou, C. C.;
7:2:46:11 Optical Properties of 0.95BiFeO3-RTiO3 (R = Mg, Pb, Ba, Ca and Sr) Thin Films
DOI:10.1080/10584587.2012.735853 JN:INTEGRATED FERROELECTRICS PY:2012 TC:0 AU: Wu, Jiagang;Qiao, Sha;Wang, John;Wu, Huaping;Zhu, Jianguo;Xiao, Dingquan;
7:2:46:12 Preparation of BiVO4/bentonite catalysts and their photocatalytic properties under simulated solar irradiation
DOI:10.1016/j.mssp.2012.06.010 JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING PY:2013 TC:8 AU: Qu, J. G.;Li, N. N.;Liu, B. J.;He, J. X.;
7:2:47:1 The magnetic structure of an epitaxial BiMn0.5Fe0.5O3 thin film on SrTiO3 (001) studied with neutron diffraction
DOI:10.1063/1.4762818 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Cortie, D. L.;Stampfl, A. P. J.;Klose, F.;Du, Y.;Wang, X. L.;Zhao, H. Y.;Kimura, H.;Cheng, Z. X.;
7:2:47:2 Multiferroism in orientational engineered (La, Mn) co-substituted BiFeO3 thin films
DOI:10.1063/1.3594745 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:17 AU: Wang, D. Y.;Chan, N. Y.;Zheng, R. K.;Kong, C.;Lin, D. M.;Dai, J. Y.;Chan, H. L. W.;Li, S.;
7:2:47:3 Room Temperature Ferrimagnetism and Ferroelectricity in Strained, Thin Films of BiFe0.5Mn0.5O3
DOI:10.1002/adfm.201401464 JN:ADVANCED FUNCTIONAL MATERIALS PY:2014 TC:0 AU: Choi, Eun-Mi;Fix, Thomas;Kursumovic, Ahmed;Kinane, Christy J.;Arena, Dario;Sahonta, Suman-Lata;Bi, Zhenxing;Xiong, Jie;Yan, Li;Lee, Jun-Sik;Wang, Haiyan;Langridge, Sean;Kim, Young-Min;Borisevich, Albina Y.;MacLaren, Ian;Ramasse, Quentin M.;Blamire, Mark G.;Jia, Quanxi;MacManus-Driscoll, Judith L.;
7:2:47:4 Magnetic properties of Bi2FeMnO6: A multiferroic material with double-perovskite structure
DOI:10.1063/1.3490221 JN:APPLIED PHYSICS LETTERS PY:2010 TC:14 AU: Du, Y.;Cheng, Z. X.;Dou, S. X.;Wang, X. L.;Zhao, H. Y.;Kimura, H.;
7:2:47:5 Strong room temperature magnetism in highly resistive strained thin films of BiFe0.5Mn0.5O3
DOI:10.1063/1.3540683 JN:APPLIED PHYSICS LETTERS PY:2011 TC:13 AU: Choi, E. -M.;Patnaik, S.;Weal, E.;Sahonta, S. -L.;Wang, H.;Bi, Z.;Xiong, J.;Blamire, M. G.;Jia, Q. X.;MacManus-Driscoll, J. L.;
7:2:47:6 Multiferroic BiFeO3-BiMnO3 nanoscale checkerboard from first principles
DOI:10.1103/PhysRevB.82.075432 JN:PHYSICAL REVIEW B PY:2010 TC:4 AU: Palova, L.;Chandra, P.;Rabe, K. M.;
7:2:47:7 Bi-relaxation behaviors in epitaxial multiferroic double-perovskite BiFe0.5Mn0.5O3/CaRuO3 heterostructures
DOI:10.1063/1.3624847 JN:APPLIED PHYSICS LETTERS PY:2011 TC:10 AU: Miao, J.;Zhang, X.;Zhan, Q.;Jiang, Y.;Chew, K. -H.;
7:2:47:8 Ferroelectric and ferromagnetic properties of epitaxial BiFeO3-BiMnO3 films on ion-beam-assisted deposited TiN buffered flexible Hastelloy
DOI:10.1063/1.4869438 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Xiong, J.;Matias, V.;Tao, B. W.;Li, Y. R.;Jia, Q. X.;
7:2:47:9 Anisotropy of crystal growth mechanisms, dielectricity, and magnetism of multiferroic Bi2FeMnO6 thin films
DOI:10.1063/1.4794724 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Liu, P.;Cheng, Z. X.;Du, Y.;Feng, L. Y.;Fang, H.;Wang, X. L.;Dou, S. X.;
7:2:47:10 Magnetostructural Effect in the Multiferroic BiFeO3-BiMnO3 Checkerboard from First Principles
DOI:10.1103/PhysRevLett.104.037202 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:6 AU: Palova, L.;Chandra, P.;Rabe, K. M.;
7:2:47:11 Room temperature multiferroic heterostructure: Nd: BiFeO3/YMnO3
DOI:10.1016/j.jcrysgro.2012.12.023 JN:JOURNAL OF CRYSTAL GROWTH PY:2013 TC:0 AU: Zhao, Hongyang;Kimura, Hideo;Cheng, Zhenxiang;Wang, Xiaolin;Yao, Qiwen;Osada, Minoru;Li, Baowen;
7:2:47:12 Improved multiferroic behavior in [111]-oriented BiFeO3/BiAlO3 superlattice
DOI:10.1063/1.4795847 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Ding, Hang-Chen;Li, Ya-Wei;Zhu, Wanjiao;Gao, Yong-Chao;Gong, Shi-Jing;Duan, Chun-Gang;
7:2:47:13 Strong room temperature magnetism in highly resistive strained thin films of BiFe0.5Mn0.5O3 (vol 98, 012509, 2011)
DOI:10.1063/1.3565432 JN:APPLIED PHYSICS LETTERS PY:2011 TC:1 AU: Choi, E-M;Patnaik, S.;Weal, E.;Sahonta, S-L;Mecklenburg, G.;Wang, H.;Bi, Z.;Xiong, J.;Blamire, M. G.;Jia, Q. X.;MacManus-Driscoll, J. L.;
7:2:47:14 Magnetic properties of La doped Bi2FeMnO6 ceramic and film
DOI:10.1063/1.3503397 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:2 AU: Zhao, Hongyang;Kimura, Hideo;Cheng, Zhenxiang;Wang, Xiaolin;Ozawa, Kiyoshi;Nishida, Takashi;
7:2:47:15 Ab-initio study of competing magnetic configurations in cubic BiFeO3 alloys
DOI:10.1016/j.jmmm.2011.04.016 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:0 AU: Koumpouras, Konstantinos;Galanakis, Iosif;
7:2:48:1 Electrical reliability and leakage mechanisms in highly resistive multiferroic La0.1Bi0.9FeO3 ceramics
DOI:10.1063/1.3580604 JN:APPLIED PHYSICS LETTERS PY:2011 TC:20 AU: Wang, S. Y.;Qiu, Xue;Gao, J.;Feng, Yu;Su, W. N.;Zheng, J. X.;Yu, D. S.;Li, D. J.;
7:2:48:2 Magnetoelectric coupling and phase transition in BiFeO3 and (BiFeO3)(0.95)(BaTiO3)(0.05) ceramics
DOI:10.1063/1.3551578 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:26 AU: Wang, T. -H.;Tu, C. -S.;Chen, H. -Y.;Ding, Y.;Lin, T. C.;Yao, Y. -D.;Schmidt, V. H.;Wu, K. -T.;
7:2:48:3 A simple method of synthesizing homogeneous La0.1Bi0.9FeO3-BiY2Fe5O12 composite powders
DOI:10.1016/j.ceramint.2013.09.108 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Liu, Miao;Yang, Haibo;Lin, Ying;Yang, Yanyan;
7:2:48:4 Impedance spectroscopy analysis of 0.7BiFeO(3)-0.3BaTiO(3)/BiY2Fe5O12 composites with simultaneously improved magnetization and remnant polarization
DOI:10.1016/j.matchemphys.2012.07.007 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:9 AU: Lin, Ying;Yang, Haibo;Zhu, Zhenfeng;
7:2:48:5 Dielectric response and origin in antiferromagnetic/ferroelectric (1=x)BiFeO3-(x)BaTiO3 ceramics
DOI:10.1063/1.4795420 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Tu, C. -S.;Chien, R. R.;Wang, T. -H.;Anthoninappen, J.;Peng, Y. -T.;
7:2:48:6 La0.1Bi0.9FeO3-BiY2Fe5O12 composites with simultaneously improved magnetization and polarization
DOI:10.1016/j.ceramint.2012.10.257 JN:CERAMICS INTERNATIONAL PY:2013 TC:2 AU: Lin, Ying;Yang, Haibo;Zhu, Zhenfeng;Wang, Fen;
7:2:48:7 Ferroelectric, Ferromagnetic, and Magnetoelectric Characteristics of 0.9(0.7BiFeO(3)-0.3BaTiO(3))-0.1CoFe(2)O(4) Ceramic Composite
DOI:10.1111/j.1551-2916.2010.03943.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:12 AU: Liu, Xiao-hui;Xu, Zhuo;Wei, Xiao-yong;Dai, Zhong-hua;Yao, Xi;
7:2:48:8 Electrical properties of BiFeO3-BaTiO3 ceramics fabricated by mechanochemical synthesis and spark plasma sintering
DOI:10.1016/j.matlet.2012.08.015 JN:MATERIALS LETTERS PY:2012 TC:4 AU: Dai, Zhonghua;Akishige, Yukikuni;
7:2:48:9 Origins of dielectric response and conductivity in (Bi1-xNdx)FeO3 multiferroic ceramics
DOI:10.1063/1.3667204 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Tu, C-S.;Yang, W-C;Schmidt, V. H.;Chien, R. R.;
7:2:48:10 xBaTiO(3)-(1-x)BiFeO3 strained epitaxial thin film with enhanced magnetization
DOI:10.1016/j.matlet.2012.11.009 JN:MATERIALS LETTERS PY:2013 TC:4 AU: Yang, Haibo;Lin, Ying;Liu, Miao;Zhu, Jianfeng;Wang, Fen;
7:2:48:11 BiFeO3 ceramics synthesized by spark plasma sintering
DOI:10.1016/j.ceramint.2011.05.020 JN:CERAMICS INTERNATIONAL PY:2012 TC:7 AU: Dai, Zhong-Hua;Akishige, Yukikuni;
7:2:48:12 Structural and Dielectric Properties of (Bi1-xBax)(Fe1-xTix)O-3 Multiferroic Ceramics
DOI:10.1080/00150193.2014.922822 JN:FERROELECTRICS PY:2014 TC:0 AU: Wang, T. -H.;Tu, C. -S.;Schmidt, V. H.;Chien, R. R.;Ding, Y.;
7:2:48:13 Dielectric properties and heating effect of multiferroic BiFeO3 suspension
DOI:10.1016/j.matlet.2011.04.029 JN:MATERIALS LETTERS PY:2011 TC:6 AU: Dai, Zhonghua;Fujita, Yasuhisa;Akishige, Yukikuni;
7:2:48:14 Magnetoelectric coupling-induced anisotropy in multiferroic nanocomposite (1-x)BiFeO3-xBaTiO(3)
DOI:10.1007/s11051-013-2004-8 JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2013 TC:3 AU: Gupta, Rekha;Shah, Jyoti;Chaudhary, Sujeet;Singh, Sukhbeer;Kotnala, Ravinder K.;
7:2:49:1 Phase-field simulation of magnetoelastic couplings in ferromagnetic shape memory alloys
DOI:10.1016/j.actamat.2011.01.001 JN:ACTA MATERIALIA PY:2011 TC:21 AU: Li, L. J.;Lei, C. H.;Shu, Y. C.;Li, J. Y.;
7:2:49:2 Influence of strain on space-charge distribution at ferroelectric thin-film free surfaces
DOI:10.1016/j.actamat.2012.07.050 JN:ACTA MATERIALIA PY:2012 TC:4 AU: Yang, Lun;Dayal, Kaushik;
7:2:49:3 The role of phase compatibility in martensite
DOI:10.1063/1.4712629 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Salman, Oguz Umut;Finel, Alphonse;Delville, Remi;Schryvers, Dominique;
7:2:49:4 Free surface domain nucleation in a ferroelectric under an electrically charged tip
DOI:10.1063/1.3674320 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:7 AU: Yang, Lun;Dayal, Kaushik;
7:2:49:5 Space charges and size effects in semiconducting ferroelectric BaTiO3/SrTiO3 superlattices
DOI:10.1063/1.3473821 JN:APPLIED PHYSICS LETTERS PY:2010 TC:14 AU: Liu, Y. Y.;Li, J. Y.;
7:2:49:6 Phase-field modeling of the coupled microstructure and fracture evolution in ferroelectric single crystals
DOI:10.1016/j.actamat.2011.03.030 JN:ACTA MATERIALIA PY:2011 TC:24 AU: Abdollahi, Amir;Arias, Irene;
7:2:49:7 Formulation of phase-field energies for microstructure in complex crystal structures
DOI:10.1063/1.3319503 JN:APPLIED PHYSICS LETTERS PY:2010 TC:12 AU: Yang, Lun;Dayal, Kaushik;
7:2:49:8 Phase-field modeling of martensitic microstructure with inhomogeneous elasticity
DOI:10.1063/1.4796098 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Chen, H. Z.;Shu, Y. C.;
7:2:49:9 Effect of lattice orientation, surface modulation, and applied fields on free-surface domain microstructure in ferroelectrics
DOI:10.1016/j.actamat.2011.07.014 JN:ACTA MATERIALIA PY:2011 TC:9 AU: Yang, Lun;Dayal, Kaushik;
7:2:49:10 Austenite-martensite interface in shape memory alloys
DOI:10.1063/1.3385278 JN:APPLIED PHYSICS LETTERS PY:2010 TC:11 AU: Lei, C. H.;Li, L. J.;Shu, Y. C.;Li, J. Y.;
7:2:49:11 Evolution of polarization and space charges in semiconducting ferroelectrics
DOI:10.1063/1.3678598 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:9 AU: Suryanarayana, Phanish;Bhattacharya, Kaushik;
7:2:49:12 Domain patterns in free-standing nanoferroelectrics
DOI:10.1016/j.actamat.2012.02.053 JN:ACTA MATERIALIA PY:2012 TC:5 AU: Ng, Nathaniel;Ahluwalia, Rajeev;Srolovitz, David J.;
7:2:49:13 Properties of Clean Surface of BaTiO3 Single Crystals in UHV and Virtual Absence of Nonferroelectric Surface Layer
DOI:10.1080/00150193.2011.594413 JN:FERROELECTRICS PY:2011 TC:3 AU: Watanabe, Yukio;
7:2:49:14 Failure and toughness of bio-inspired composites: Insights from phase field modelling
DOI:10.1016/j.commatsci.2014.07.001 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2014 TC:0 AU: Khaderi, S. N.;Murali, P.;Ahluwalia, R.;
7:2:49:15 Dielectric Enhancement Effect in (Ba0.7Sr0.3TiO3/Ba0.5Sr0.5TiO3)(n) (n=1,2,3,4) Multilayered Thin Films Deposited by Chemical Solution Deposition Method
DOI:10.1080/10584587.2012.685412 JN:INTEGRATED FERROELECTRICS PY:2012 TC:0 AU: Fu, Yankun;Chang, Qing;Liu, Qiangchun;Dai, Jianming;Wu, Dajun;Zhu, Xuebin;Zhang, Weijie;Sun, Yuping;
7:2:49:16 Competition between surface trapping and nonradiative energy transfer to gold nanofilm
DOI:10.1063/1.3503518 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:2 AU: Yang, Zhenling;Liu, Yuqiang;He, Xing;Wen, Yanan;Yang, Yanqiang;
7:2:50:1 Three-dimensional ferroelectric domain imaging of epitaxial BiFeO3 thin films using angle-resolved piezoresponse force microscopy
DOI:10.1063/1.3487933 JN:APPLIED PHYSICS LETTERS PY:2010 TC:17 AU: Park, Moonkyu;Hong, Seungbum;Klug, Jeffrey A.;Bedzyk, Michael J.;Auciello, Orlando;No, Kwangsoo;Petford-Long, Amanda;
7:2:50:2 Effects of cantilever buckling on vector piezoresponse force microscopy imaging of ferroelectric domains in BiFeO3 nanostructures
DOI:10.1063/1.3327831 JN:APPLIED PHYSICS LETTERS PY:2010 TC:17 AU: Nath, Ramesh;Hong, Seungbum;Klug, Jeffrey A.;Imre, Alexandra;Bedzyk, Michael J.;Katiyar, Ram S.;Auciello, Orlando;
7:2:50:3 Mapping and statistics of ferroelectric domain boundary angles and types
DOI:10.1063/1.3643155 JN:APPLIED PHYSICS LETTERS PY:2011 TC:8 AU: Desmarais, Joseph;Ihlefeld, Jon F.;Heeg, Tassilo;Schubert, Juergen;Schlom, Darrell G.;Huey, Bryan D.;
7:2:50:4 High-Resolution Field Effect Sensing of Ferroelectric Charges
DOI:10.1021/nl103372a JN:NANO LETTERS PY:2011 TC:10 AU: Ko, Hyoungsoo;Ryu, Kyunghee;Park, Hongsik;Park, Chulmin;Jeon, Daeyoung;Kim, Yong Kwan;Jung, Juhwan;Min, Dong-Ki;Kim, Yunseok;Lee, Ho Nyung;Park, Yoondong;Shin, Hyunjung;Hong, Seungbum;
7:2:50:5 Visualization and manipulation of meta-stable polarization variants in multiferroic materials
DOI:10.1063/1.4802249 JN:AIP ADVANCES PY:2013 TC:5 AU: Park, Moonkyu;No, Kwangsoo;Hong, Seungbum;
7:2:50:6 Nanoscale ferroelectric switching behavior at charged domain boundaries studied by angle-resolved piezoresponse force microscopy
DOI:10.1063/1.3646761 JN:APPLIED PHYSICS LETTERS PY:2011 TC:5 AU: Park, Moonkyu;Hong, Seungbum;Kim, Jiyoon;Hong, Jongin;No, Kwangsoo;
7:2:50:7 Identifying ferroelectric phase and domain structure using angle-resolved piezoresponse force microscopy
DOI:10.1063/1.4869554 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Kim, K. L.;Huber, J. E.;
7:2:50:8 Measurement of the polarization vector in BiMnO3 multiferroic thin films using surface and embedded microelectrodes
DOI:10.1063/1.4819450 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Mickel, Patrick R.;Buvaev, Sanal;Kamalov, Andrei;Jeen, Hyoungjeen;Finnegan, Patrick;Biswas, Amlan;Hebard, Arthur F.;James, Conrad D.;
7:2:50:9 Modeling and experimental verification of proof mass effects on vibration energy harvester performance
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7:2:50:10 Growth and characterization of multiferroic BiMnO(3) thin films
DOI:10.1063/1.3561860 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:21 AU: Jeen, Hyoungjeen;Singh-Bhalla, Guneeta;Mickel, Patrick R.;Voigt, Kristen;Morien, Chelsey;Tongay, Sefaattin;Hebard, A. F.;Biswas, Amlan;
7:2:50:11 Elastic relaxation and correlation of local strain gradients with ferroelectric domains in (001) BiFeO3 nanostructures
DOI:10.1063/1.3605594 JN:APPLIED PHYSICS LETTERS PY:2011 TC:3 AU: Klug, Jeffrey A.;Holt, Martin V.;Premnath, Ramesh Nath;Joshi-Imre, Alexandra;Hong, Seungbum;Katiyar, Ram S.;Bedzyk, Michael J.;Auciello, Orlando;
7:2:50:12 Direct observation of fatigue in epitaxially grown Pb(Zr,Ti)O-3 thin films using second harmonic piezoresponse force microscopy
DOI:10.1063/1.3619839 JN:APPLIED PHYSICS LETTERS PY:2011 TC:3 AU: Murari, Nishit M.;Hong, Seungbum;Lee, Ho Nyung;Katiyar, Ram. S.;
7:2:50:13 Orientational strain modulation of ferroelectric polarization in multiferroic BiMnO3
DOI:10.1063/1.4903480 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Mickel, Patrick R.;Jeen, Hyoungjeen;Biswas, Amlan;Hebard, Arthur F.;
7:2:50:14 Elastic and Electric Damping Effects on Piezoelectric Cantilever Energy Harvesting
DOI:10.1080/00150193.2013.837735 JN:FERROELECTRICS PY:2014 TC:0 AU: Huang, Hualin;Zheng, Chengjunyi;Ruan, Xuezheng;Zeng, Jiangtao;Zheng, Liaoying;Chen, Wenyuan;Li, Guorong;
7:2:50:15 Modeling and experimental verification of proof mass effects on vibration energy harvester performance (vol 19, 045023, 2010)
DOI:10.1088/0964-1726/19/6/069801 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:1 AU: Kim, Miso;Hoegen, Mathias;Dugundji, John;Wardle, Brian L.;
7:2:51:1 Cation ordering in perovskites
DOI:10.1039/b926757c JN:JOURNAL OF MATERIALS CHEMISTRY PY:2010 TC:110 AU: King, Graham;Woodward, Patrick M.;
7:2:51:2 Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3-xTiO3 Perovskites
DOI:10.1021/cm4012052 JN:CHEMISTRY OF MATERIALS PY:2013 TC:6 AU: Abakumov, Artem M.;Erni, Rolf;Tsirlin, Alexander A.;Rossell, Marta D.;Batuk, Dmitry;Nenert, Gwilherm;Van Tendeloo, Gustaaf;
7:2:51:3 Antiferroelectric (Pb,Bi)(1-x)Fe1+xO3-y Perovskites Modulated by Crystallographic Shear Planes
DOI:10.1021/cm102907h JN:CHEMISTRY OF MATERIALS PY:2011 TC:20 AU: Abakumov, Artem M.;Batuk, Dmitry;Hadermann, Joke;Rozova, Marina G.;Sheptyakov, Denis V.;Tsirlin, Alexander A.;Niermann, Daniel;Waschkowski, Florian;Hemberger, Joachim;Van Tendeloo, Gustaaf;Antipov, Evgeny V.;
7:2:51:4 Chessboard/Diamond Nanostructures and the A-site Deficient, Li1/2-3x Nd1/2+xTiO3, Defect Perovskite Solid Solution
DOI:10.1021/cm303239d JN:CHEMISTRY OF MATERIALS PY:2013 TC:6 AU: Withers, Ray L.;Bourgeois, Laure;Snashall, Amanda;Liu, Yun;Noren, Lasse;Dwyer, Christian;Etheridge, Joanne;
7:2:51:5 Spontaneous Superlattice Formation in the Doubly Ordered Perovskite KLaMnWO6
DOI:10.1021/cm102592p JN:CHEMISTRY OF MATERIALS PY:2011 TC:17 AU: Garcia-Martin, Susana;King, Graham;Urones-Garrote, Esteban;Nenert, Gwilherm;Woodward, Patrick M.;
7:2:51:6 Nanoscale phase separation in perovskites revisited
DOI:10.1038/nmat3865 JN:NATURE MATERIALS PY:2014 TC:3 AU: Erni, Rolf;Abakumov, Artem M.;Rossell, Marta D.;Batuk, Dmitry;Tsirlin, Alexander A.;Nenert, Gwilherm;Van Tendeloo, Gustaaf;
7:2:51:7 Nanoscale phase separation in perovskites revisited Reply
DOI:10.1038/nmat3866 JN:NATURE MATERIALS PY:2014 TC:2 AU: Davies, Peter K.;Guiton, Beth S.;
7:2:51:8 New Perovskite-Related Structure Family of Oxide-Ion Conducting Materials NdBalnO(4)
DOI:10.1021/cm500776x JN:CHEMISTRY OF MATERIALS PY:2014 TC:7 AU: Fujii, Kotaro;Esaki, Yuichi;Omoto, Kazuki;Yashima, Masatomo;Hoshikawa, Akinori;Ishigaki, Toru;Hester, James R.;
7:2:51:9 Structural, magnetic and electrical properties of double-doped manganites Y0.5+ySr0.5-yMn1-yCryO3 (0 <= y <= 0.5)
DOI:10.1016/j.jmmm.2013.04.011 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:1 AU: Yang, Lei;Duanmu, Qingyong;Hao, Lin;Wang, Xiaoping;Wei, Yiyong;Zhang, Zhongfeng;Zhu, Hong;
7:2:51:10 Structure and magnetic properties of a new anion-deficient perovskite Pb2Ba2BiFe4ScO13 with crystallographic shear structure
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7:2:51:11 Structural Determination and Imaging of Charge Ordering and Oxygen Vacancies of the Multifunctional Oxides REBaMn 2 O 6-X( RE = Gd, Tb)
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7:2:51:12 Nanocheckerboard modulations in (NaNd)(MgW)O-6
DOI:10.1063/1.3490637 JN:APPLIED PHYSICS LETTERS PY:2010 TC:7 AU: Licurse, Mark W.;Davies, Peter K.;
7:2:51:13 Incommensurate Crystallographic Shear Structures and Magnetic Properties of the Cation Deficient Perovskite (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29
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7:2:51:14 Na1.5Ag1.5MO3F3 (M = Mo, W): An Ordered Oxyfluoride Derivative of the LiNbO3 Structure
DOI:10.1021/ja208587e JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2012 TC:12 AU: Fry, Allyson M.;Seibel, Harry A., II;Lokuhewa, Indunil N.;Woodward, Patrick M.;
7:2:51:15 Synthesis and structure determination of ferromagnetic semiconductors LaAMnSnO(6) (A = Sr, Ba)
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7:2:51:16 Synthesis and characterisation of the novel double perovskites La2CrB2/3Nb1/3O6, B = Mg, Ni, Cu
DOI:10.1016/j.materresbull.2012.05.019 JN:MATERIALS RESEARCH BULLETIN PY:2012 TC:1 AU: Svensson, G.;Grins, J.;Shafeie, S.;Masson, D.;Norberg, S. T.;Eriksson, S.;Hull, S.;Zakharov, K. V.;Volkova, O. S.;Vasil'ev, A. N.;Istomin, S. Ya.;
7:2:52:1 Superspin Glass Mediated Giant Spontaneous Exchange Bias in a Nanocomposite of BiFeO3-Bi2Fe4O9
DOI:10.1103/PhysRevLett.110.107201 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:18 AU: Maity, Tuhin;Goswami, Sudipta;Bhattacharya, Dipten;Roy, Saibal;
7:2:52:2 Multiferroic coupling in nanoscale BiFeO3
DOI:10.1063/1.3625924 JN:APPLIED PHYSICS LETTERS PY:2011 TC:20 AU: Goswami, Sudipta;Bhattacharya, Dipten;Choudhury, P.;Ouladdiaf, B.;Chatterji, T.;
7:2:52:3 Particle size dependence of magnetization and noncentrosymmetry in nanoscale BiFeO3
DOI:10.1063/1.3567038 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:13 AU: Goswami, Sudipta;Bhattacharya, Dipten;Choudhury, P.;
7:2:52:4 Do Dielectric Nanostructures Turn Metallic in High-Electric dc Fields?
DOI:10.1021/n1502715s JN:NANO LETTERS PY:2014 TC:5 AU: Silaeva, E. P.;Arnoldi, L.;Karahka, M. L.;Deconihout, B.;Menand, A.;Kreuzer, H. J.;Vella, A.;
7:2:52:5 Large magnetoelectric coupling in nanoscale BiFeO3 from direct electrical measurements
DOI:10.1103/PhysRevB.90.104402 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Goswami, Sudipta;Bhattacharya, Dipten;Keeney, Lynette;Maity, Tuhin;Kaushik, S. D.;Siruguri, V.;Das, Gopes C.;Yang, Haifang;Li, Wuxia;Gu, Chang-zhi;Pemble, M. E.;Roy, Saibal;
7:2:52:6 Effect of particle size on ferroelectric and magnetic properties of BiFeO3 nanopowders
DOI:10.1088/0957-4484/24/35/355701 JN:NANOTECHNOLOGY PY:2013 TC:8 AU: Castillo, M. Escobar;Shvartsman, V. V.;Gobeljic, D.;Gao, Y.;Landers, J.;Wende, H.;Lupascu, D. C.;
7:2:52:7 Origin of the asymmetric exchange bias in BiFeO3/Bi2Fe4O9 nanocomposite
DOI:10.1103/PhysRevB.89.140411 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Maity, Tuhin;Goswami, Sudipta;Bhattacharya, Dipten;Roy, Saibal;
7:2:52:8 Spontaneous exchange bias in a nanocomposite of BiFeO3-Bi2Fe4O9
DOI:10.1063/1.4796149 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Maity, Tuhin;Goswami, Sudipta;Bhattacharya, Dipten;Das, Gopes C.;Roy, Saibal;
7:2:52:9 High K Nanophase Zinc Oxide on Biomimetic Silicon Nanotip Array as Supercapacitors
DOI:10.1021/nl304303p JN:NANO LETTERS PY:2013 TC:4 AU: Han, Hsieh-Cheng;Chong, Cheong-Wei;Wang, Sheng-Bo;Heh, Dawei;Tseng, Chi-Ang;Huang, Yi-Fan;Chattopadhyay, Surojit;Chen, Kuei-Hsien;Lin, Chi-Feng;Lee, Jiun-Haw;Chen, Li-Chyong;
7:2:52:10 A training effect on electrical properties in nanoscale BiFeO3
DOI:10.1088/0957-4484/24/13/135705 JN:NANOTECHNOLOGY PY:2013 TC:1 AU: Goswami, Sudipta;Bhattacharya, Dipten;Li, Wuxia;Cui, Ajuan;Jiang, QianQing;Gu, Chang-zhi;
7:2:52:11 Magnetoelectric coupling of spray pyrolysis deposited multiferroic BiFeO3 films
DOI:10.1016/j.tsf.2012.12.053 JN:THIN SOLID FILMS PY:2013 TC:3 AU: Reddy, V. Annapu;Pathak, N. P.;Nath, R.;
7:2:53:1 Calibrated real-time detection of nonlinearly propagating strain waves
DOI:10.1103/PhysRevB.86.144306 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Bojahr, Andre;Herzog, Marc;Schick, Daniel;Vrejoiu, Ionela;Bargheer, Matias;
7:2:53:2 Comparing the oscillation phase in optical pump-probe spectra to ultrafast x-ray diffraction in the metal-dielectric SrRuO3/SrTiO3 superlattice
DOI:10.1103/PhysRevB.85.224302 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Bojahr, Andre;Schick, Daniel;Maerten, Lena;Herzog, Marc;Vrejoiu, Ionela;Schmising, Clemens von Korff;Milne, Chris;Johnson, Steven L.;Bargheer, Matias;
7:2:53:3 Direct time-domain sampling of subterahertz coherent acoustic phonon spectra in SrTiO3 using ultrafast x-ray diffraction
DOI:10.1103/PhysRevB.87.184301 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Shayduk, Roman;Herzog, Marc;Bojahr, Andre;Schick, Daniel;Gaal, Peter;Leitenberger, Wolfram;Navirian, Hengameh;Sander, Mathias;Goldshteyn, Jevgenij;Vrejoiu, Ionela;Bargheer, Matias;
7:2:53:4 Analysis of ultrafast X-ray diffraction data in a linear-chain model of the lattice dynamics
DOI:10.1007/s00339-011-6719-z JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2012 TC:13 AU: Herzog, M.;Schick, D.;Gaal, P.;Shayduk, R.;Schmising, C. von Korff;Bargheer, M.;
7:2:53:5 Ultrafast manipulation of hard x-rays by efficient Bragg switches
DOI:10.1063/1.3402773 JN:APPLIED PHYSICS LETTERS PY:2010 TC:14 AU: Herzog, M.;Leitenberger, W.;Shayduk, R.;van der Veen, R. M.;Milne, C. J.;Johnson, S. L.;Vrejoiu, I.;Alexe, M.;Hesse, D.;Bargheer, M.;
7:2:53:6 Observation of anomalous acoustic phonon dispersion in SrTiO3 by broadband stimulated Brillouin scattering
DOI:10.1063/1.3593488 JN:APPLIED PHYSICS LETTERS PY:2011 TC:7 AU: Brivio, S.;Polli, D.;Crespi, A.;Osellame, R.;Cerullo, G.;Bertacco, R.;
7:2:53:7 Detecting optically synthesized quasi-monochromatic sub-terahertz phonon wavepackets by ultrafast x-ray diffraction
DOI:10.1063/1.3688492 JN:APPLIED PHYSICS LETTERS PY:2012 TC:8 AU: Herzog, M.;Bojahr, A.;Goldshteyn, J.;Leitenberger, W.;Vrejoiu, I.;Khakhulin, D.;Wulff, M.;Shayduk, R.;Gaal, P.;Bargheer, M.;
7:2:53:8 Following Strain-Induced Mosaicity Changes of Ferroelectric Thin Films by Ultrafast Reciprocal Space Mapping
DOI:10.1103/PhysRevLett.110.095502 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:5 AU: Schick, D.;Bojahr, A.;Herzog, M.;Gaal, P.;Vrejoiu, I.;Bargheer, M.;
7:2:53:9 Time-domain sampling of x-ray pulses using an ultrafast sample response
DOI:10.1063/1.4769828 JN:APPLIED PHYSICS LETTERS PY:2012 TC:2 AU: Gaal, P.;Schick, D.;Herzog, M.;Bojahr, A.;Shayduk, R.;Goldshteyn, J.;Navirian, H. A.;Leitenberger, W.;Vrejoiu, I.;Khakhulin, D.;Wulff, M.;Bargheer, M.;
7:2:53:10 Shortening x-ray pulses for pump-probe experiments at synchrotrons
DOI:10.1063/1.3601057 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Navirian, H. A.;Herzog, M.;Goldshteyn, J.;Leitenberger, W.;Vrejoiu, I.;Khakhulin, D.;Wulff, M.;Shayduk, R.;Gaal, P.;Bargheer, M.;
7:2:53:11 Response to "Comment on 'Observation of anomalous acoustic phonon dispersion in SrTiO3 by broadband stimulated Brillouin scattering'" [Appl. Phys. Lett. 100, 206101 (2012)]
DOI:10.1063/1.4717245 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Brivio, S.;Polli, D.;Crespi, A.;Osellame, R.;Cerullo, G.;Bertacco, R.;
7:2:53:12 Characterization of irradiation damage distribution near TiO2/SrTiO3 interfaces using coherent acoustic phonon interferometry
DOI:10.1063/1.4729621 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Yarotski, Dmitry;Fu, Engang;Yan, Li;Jia, Quanxi;Wang, Yongqiang;Taylor, Antoinette J.;Uberuaga, Blas P.;
7:2:53:13 Comment on "Observation of anomalous acoustic phonon dispersion in SrTiO3 by broadband stimulated Brillouin scattering" [Appl. Phys. Lett. 98, 211907 (2011)]
DOI:10.1063/1.4717244 JN:APPLIED PHYSICS LETTERS PY:2012 TC:2 AU: Devos, A.;Wen, Y. -C.;Mante, P. -A.;Sun, C. -K.;
7:2:53:14 Laser-excited acoustical phonons probed by ultrashort pulses from a laser-driven x-ray diode
DOI:10.1063/1.3577605 JN:APPLIED PHYSICS LETTERS PY:2011 TC:1 AU: Schulze, K. S.;Kaempfer, T.;Uschmann, I.;Hoefer, S.;Loetzsch, R.;Foerster, E.;
7:2:54:1 Strong strain dependence of ferroelectric coercivity in a BiFeO3 film
DOI:10.1063/1.3569137 JN:APPLIED PHYSICS LETTERS PY:2011 TC:23 AU: Biegalski, M. D.;Kim, D. H.;Choudhury, S.;Chen, L. Q.;Christen, H. M.;Doerr, K.;
7:2:54:2 Thickness effect on the dielectric, ferroelectric, and piezoelectric properties of ferroelectric lead zirconate titanate thin films
DOI:10.1063/1.3514170 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:29 AU: de la Cruz, J. Perez;Joanni, E.;Vilarinho, P. M.;Kholkin, A. L.;
7:2:54:3 Thickness-Dependent Dielectric, Ferroelectric, and Magnetodielectric Properties of BiFeO3 Thin Films Derived by Chemical Solution Deposition
DOI:10.1111/j.1551-2916.2011.04920.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:12 AU: Tang, Xianwu;Dai, Jianming;Zhu, Xuebin;Lin, Jianchao;Chang, Qing;Wu, Dajun;Song, Wenhai;Sun, Yuping;
7:2:54:4 Effect of the thickness of BiFeO3 layers on the magnetic and electric properties of BiFeO3/La0.7Sr0.3MnO3 heterostructures
DOI:10.1063/1.4811439 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Wang, Le;Wang, Zhen;Jin, Kui-juan;Li, Jian-qi;Yang, Huai-xin;Wang, Can;Zhao, Rui-qiang;Lu, Hui-bin;Guo, Hai-zhong;Yang, Guo-zhen;
7:2:54:5 Ferroelectric Behavior in Bismuth Ferrite Thin Films of Different Thickness
DOI:10.1021/am200801u JN:ACS APPLIED MATERIALS & INTERFACES PY:2011 TC:15 AU: Wu, Jiagang;Wang, John;Xiao, Dingquan;Zhu, Jianguo;
7:2:54:6 Thickness effect on the properties of BaTiO3-CoFe2O4 multilayer thin films prepared by chemical solution deposition
DOI:10.1016/j.jallcom.2013.11.026 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:4 AU: Dai, Y. Q.;Dai, J. M.;Tang, X. W.;Zhang, K. J.;Zhu, X. B.;Yang, J.;Sun, Y. P.;
7:2:54:7 Variation of ferroelectric properties in (Bi,Pr)(Fe,Mn)O-3/SrRuO3-Pt/CoFe2O4 layered film structure by applying direct current magnetic field
DOI:10.1063/1.4730334 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Liu, Chen;Kawae, Takeshi;Tsukada, Yoshinori;Morimoto, Akiharu;Naganuma, Hiroshi;Nakajima, Takashi;Okamura, Soichiro;
7:2:54:8 Repetition Rate Dependence of Ferroelectric Properties of Polycrystalline BiFeO3 Films Prepared by Pulsed Laser Deposition Method
DOI:10.1080/00150193.2013.842064 JN:FERROELECTRICS PY:2013 TC:0 AU: Park, Jung Min;Nakashima, Seiji;Sohgawa, Masayuki;Kanashima, Takeshi;Okuyama, Masanori;
7:2:54:9 Hysteresis loops of polarization and magnetization in (BiNd0.05)(Fe0.97Mn0.03)O-3/Pt/CoFe2O4 layered epitaxial thin film grown by pulsed laser deposition
DOI:10.1016/j.tsf.2011.05.067 JN:THIN SOLID FILMS PY:2011 TC:7 AU: Kawae, Takeshi;Hu, Jie;Naganuma, Hiroshi;Nakajima, Takeshi;Terauchi, Yuki;Okamura, Soichiro;Morimoto, Akiharu;
7:2:54:10 Columnar Growth of BiFeO3 Films Prepared by Magnetic-field-assisted Pulsed Laser Deposition
DOI:10.1080/00150193.2014.894869 JN:FERROELECTRICS PY:2014 TC:0 AU: Kanashima, T.;Park, J. M.;Ricinschi, D.;Okuyama, M.;
7:2:54:11 Calorimetric investigations on cubic BaTiO3 and Ba0.9Nd0.1TiO3 systems
DOI:10.1016/j.jallcom.2010.07.077 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:4 AU: Babu, R.;Kandan, R.;Jena, Hrudananda;Kutty, K. V. Govindan;Nagarajan, K.;
7:2:55:1 Soft modes in strained and unstrained rutile TiO2
DOI:10.1103/PhysRevB.81.134303 JN:PHYSICAL REVIEW B PY:2010 TC:20 AU: Mitev, Pavlin D.;Hermansson, Kersti;Montanari, Barbara;Refson, Keith;
7:2:55:2 Phonon calculations in cubic and tetragonal phases of SrTiO3: A comparative LCAO and plane-wave study
DOI:10.1103/PhysRevB.83.134108 JN:PHYSICAL REVIEW B PY:2011 TC:25 AU: Evarestov, Robert A.;Blokhin, Evgeny;Gryaznov, Denis;Kotomin, Eugene A.;Maier, Joachim;
7:2:55:3 Jahn-Teller effect in the phonon properties of defective SrTiO3 from first principles
DOI:10.1103/PhysRevB.85.174303 JN:PHYSICAL REVIEW B PY:2012 TC:17 AU: Evarestov, Robert;Blokhin, Evgeny;Gryaznov, Denis;Kotomin, Eugene A.;Merkle, Rotraut;Maier, Joachim;
7:2:55:4 First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO2
DOI:10.1103/PhysRevB.84.132105 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Gruenebohm, A.;Ederer, C.;Entel, P.;
7:2:55:5 First-principles investigation of incipient ferroelectric trends of rutile TiO2 in bulk and at the (110) surface
DOI:10.1103/PhysRevB.87.054110 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Gruenebohm, A.;Entel, P.;Ederer, C.;
7:2:55:6 First-Principles Study of the Influence of (110) Strain on the Ferroelectric Trends of TiO2
DOI:10.1080/00150193.2012.676945 JN:FERROELECTRICS PY:2012 TC:4 AU: Gruenebohm, A.;Siewert, M.;Ederer, C.;Entel, P.;
7:2:55:7 Reply to "Comment on 'First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO2'"
DOI:10.1103/PhysRevB.88.136102 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Gruenebohm, A.;Ederer, C.;Entel, P.;
7:2:55:8 Comment on "First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO2"
DOI:10.1103/PhysRevB.88.136101 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Refson, Keith;Montanari, Barbara;Mitev, Pavlin D.;Hermansson, Kersti;Harrison, Nicholas M.;
7:2:55:9 Ab initio study of the electronic and magnetic structure of the TiO2 rutile (110)/Fe interface
DOI:10.1103/PhysRevB.88.155401 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Gruenebohm, Anna;Entel, Peter;Herper, Heike C.;
7:2:55:10 Theoretical modeling of the complexes of iron impurities and oxygen vacancies in SrTiO3
DOI:10.1063/1.4796182 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Blokhin, Evgeny;Kotomin, Eugene;Kuzmin, Alexei;Purans, Juris;Evarestov, Robert;Maier, Joachim;
7:2:55:11 Physical Origin of General Oscillation of Structure, Surface Energy, and Electronic Property in Rutile TiO2 Nanoslab
DOI:10.1021/am300193d JN:ACS APPLIED MATERIALS & INTERFACES PY:2012 TC:4 AU: He, T.;Li, J. L.;Yang, G. W.;
7:2:55:12 Pseudopotential errors in titanium
DOI:10.1016/j.commatsci.2010.12.033 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2012 TC:3 AU: Tegner, Bengt E.;Ackland, Graeme J.;
7:2:55:13 Titanium Dioxide (TiO2) Nanopowder Prepared by the Low Temperature Solvothermal Method
DOI:10.1080/00150193.2013.846775 JN:FERROELECTRICS PY:2013 TC:0 AU: Pookmanee, P.;Phiwchai, I.;Yoriya, S.;Puntharod, R.;Sangsrichan, S.;Phanichphant, S.;
7:2:55:14 Hydrothermal synthesis of brookite-type titanium dioxide with snowflake-like nanostructures using a water-soluble citratoperoxotitanate complex
DOI:10.1016/j.jcrysgro.2011.09.046 JN:JOURNAL OF CRYSTAL GROWTH PY:2011 TC:10 AU: Kobayashi, Makoto;Petrykin, Valery;Tomita, Koji;Kakihana, Masato;
7:2:55:15 A Comparative Hybrid DFT Study of Phonons in Several SrTiO3 Phases
DOI:10.1080/10584587.2011.570591 JN:INTEGRATED FERROELECTRICS PY:2011 TC:2 AU: Blokhin, Evgeny;Gryaznov, Denis;Kotomin, Eugene;Evarestov, Robert;Maier, Joachim;
7:2:56:1 Controlling the magnetic characters co-existing at the novel nanometric multiferroic PrAlxFe1-xO3; 0.0 <= x <= 0.6 via an exchange bias interaction to open a new era of applications
DOI:10.1016/j.jallcom.2014.03.164 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:0 AU: Khafagy, Rasha M.;El-Khawas, E. H.;
7:2:56:2 Phase equilibrium of Bi2O3-Fe2O3 pseudo-binary system and growth of BiFeO3 single crystal
DOI:10.1016/j.jcrysgro.2010.10.181 JN:JOURNAL OF CRYSTAL GROWTH PY:2011 TC:15 AU: Lu, J.;Qiao, L. J.;Fu, P. Z.;Wu, Y. C.;
7:2:56:3 Giant dielectric response and enhanced thermal stability of multiferroic BiFeO3
DOI:10.1016/j.jallcom.2014.02.128 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:3 AU: Lin, Peng;Cui, Simin;Zeng, Xierong;Huang, Haitao;Ke, Shanming;
7:2:56:4 Direct piezoelectric properties of (100) and (111) BiFeO3 epitaxial thin films
DOI:10.1063/1.3692579 JN:APPLIED PHYSICS LETTERS PY:2012 TC:17 AU: Ujimoto, K.;Yoshimura, T.;Ashida, A.;Fujimura, N.;
7:2:56:5 Synthesis peculiarities of BiVO3 perovskite
DOI:10.1016/j.ceramint.2012.12.035 JN:CERAMICS INTERNATIONAL PY:2013 TC:2 AU: Dragomir, Mirela;Valant, Matjaz;
7:2:56:6 Varistor and Magnetic Properties of Nickel Copper Zinc Niobium Ferrite Doped with Bi2O3
DOI:10.1111/jace.13243 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:0 AU: Mei, Li-Then;Hsiang, Hsing-I;Hsu, Wei-Hung;
7:2:56:7 Ferromagnetic properties and conversion-electron Mossbauer spectroscopy of (La2O3)(x)-(Bi2O3)(1-x)-Fe2O3 films
DOI:10.1016/j.matlet.2013.03.006 JN:MATERIALS LETTERS PY:2013 TC:1 AU: Xiao, RenZheng;Pelenovich, Vasiliy O.;Fu, Dejun;
7:2:56:8 High permittivity Bi24Fe2O39 thin films prepared by a low temperature process
DOI:10.1063/1.3524492 JN:APPLIED PHYSICS LETTERS PY:2010 TC:4 AU: Zhu, X. H.;Defay, E.;Lee, Y.;Andre, B.;Aid, M.;Zhu, J. L.;Xiao, D. Q.;Zhu, J. G.;
7:2:56:9 Microwave Sintering of Multilayer Integrated Passive Devices
DOI:10.1111/j.1551-2916.2010.03740.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:5 AU: Vaidhyanathan, Balasubramaniam;Annapoorani, Ketharam;Binner, Jon;Raghavendra, Ramesh;
7:2:56:10 High permittivity 0.9Pb(Mg1/3Nb2/3)O-3-0.1PbTiO(3) relaxor thin films for high-value, wide-temperature capacitor applications
DOI:10.1063/1.4751028 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Zhu, Xiaohong;Defay, Emmanuel;Le Rhun, Gwenael;Aid, Marc;Xu, Yunhui;Zhang, Qiang;Xiao, Yunjun;Gao, Haobin;Liang, Dayun;Zhu, Jiliang;Zhu, Jianguo;Xiao, Dingquan;
7:2:56:11 Phase and morphology evolution of bismuth ferrites via hydrothermal reaction route
DOI:10.1016/j.materresbull.2013.01.032 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:7 AU: Yang, Xin;Zhang, Yanfang;Xu, Gang;Wei, Xiao;Ren, Zhaohui;Shen, Ge;Han, Gaorong;
7:2:56:12 Photophysical and photocatalytic water splitting performance of stibiotantalite type-structure compounds, SbMO4 (M = Nb, Ta)
DOI:10.1016/j.ijhydene.2012.08.123 JN:INTERNATIONAL JOURNAL OF HYDROGEN ENERGY PY:2012 TC:7 AU: Kim, Sang Hyeon;Park, Sangbaek;Lee, Chan Woo;Han, Byung Suh;Seo, Se Won;Kim, Ju Seong;Cho, In Sun;Hong, Kug Sun;
7:2:57:1 Improved ferroelectric behavior in (110) oriented BiFeO3 thin films
DOI:10.1063/1.3296226 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:36 AU: Wu, Jiagang;Wang, John;
7:2:57:2 Exchange bias induced by domain walls in BiFeO3
DOI:10.1103/PhysRevB.82.064408 JN:PHYSICAL REVIEW B PY:2010 TC:12 AU: Livesey, K. L.;
7:2:57:3 Driving mechanism of exchange bias and magnetic anisotropy in multiferroic polycrystalline BiFeO3/permalloy bilayers
DOI:10.1063/1.4763480 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Hauguel, Tony;Pogossian, Souren P.;Dekadjevi, David T.;Spenato, David;Jay, Jean-Philippe;Ben Youssef, Jamal;
7:2:57:4 A giant polarization value in bismuth ferrite thin films
DOI:10.1016/j.jallcom.2011.08.056 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:6 AU: Wang, Yuanyu;
7:2:57:5 Sputter-prepared BiFeO3(001) films on L1(0) FePt(001)/glass substrates
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7:2:57:6 Exchange bias in sputtered FM/BiFeO3 thin films (FM = Fe and Co)
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7:2:57:7 Strong exchange bias with the (110)-oriented BiFeO3 films
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7:2:57:8 Experimental evidence for exchange bias in polycrystalline BiFeO3/Ni81Fe19 thin films
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7:2:57:9 Formation of perovskite BiFeO3(001) films on refined Pt(111) electrode layer with reduced thickness on glass substrates
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7:2:57:10 Highly (111)-oriented multiferroic BiFeO3 thin film on a glass substrate
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7:2:57:11 Enhancement of magnetoresistance using CoFe/Ru/CoFe synthetic ferrimagnetic pinned layer in BiFeO3 based spin-valves
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7:2:57:12 Exchange biases of Co, Py, Co40Fe40B20, Co75Fe25, and Co50Fe50 on epitaxial BiFeO3 films prepared by chemical solution deposition
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7:2:57:13 High quality multiferroic BiFeO3 films prepared by pulsed laser deposition on glass substrates at reduced temperatures
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7:2:57:14 Exchange bias and crystal structure of epitaxial (111) FePt/BiFeO3 sputtered thin films
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7:2:58:1 Free-Standing Ferroelectric Nanotubes Processed via Soft-Template Infiltration
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7:2:58:2 Finite Curvature-Mediated Ferroelectricity
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7:2:58:3 Spatial Charge Separation in Asymmetric Structure of Au Nanoparticle on TiO2 Nanotube by Light-Induced Surface Potential Imaging
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7:2:58:4 The Ferroelectric Field Effect within an Integrated Core/Shell Nanowire
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7:2:58:5 Phononic Crystals for Shaping Fluids
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7:2:58:6 Magneto-elastic tuning of ferroelectricity within a magnetoelectric nanowire
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7:2:58:7 Effects of lateral and substrate constraint on the piezoresponse of ferroelectric nanostructures
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7:2:58:8 Visualization of three dimensional domain structures in ferroelectric PbTiO3 nanotubes
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7:2:58:9 The atomic layer deposition array defined by etch-back technique: a new method to fabricate TiO2 nanopillars, nanotubes and nanochannel arrays
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7:2:58:10 Effects of Wall Thickness on Morphology and Structure of Lead Titanate Nanotubes
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7:2:58:11 Three dimensional piezoresponse force microscopy polarization difference maps
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7:2:58:12 Incorporation of lead and titanium into a porous alumina membrane during Pb(Zr0.52Ti0.48)O-3 nanotube synthesis
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7:2:59:1 Epitaxial properties of ZnO thin films on LaAlO3 substrates by pulsed laser deposition
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7:2:59:2 Three-state resistive switching in CoFe2O4/Pb(Zr0.52Ti0.48)O-3/ZnO heterostructure
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7:2:59:3 Interface polarization coupling in piezoelectric-semiconductor ferroelectric heterostructures
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7:2:59:4 Semiconductor layer thickness impact on optical and resistive switching behavior of pulsed laser deposited BaTiO3/ZnO heterostructures
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7:2:59:5 Reversible metal-insulator transition in LaAlO3 thin films mediated by intragap defects: An alternative mechanism for resistive switching
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7:2:59:6 Different nonvolatile memory effects in epitaxial Pt/PbZr0.3Ti0.7O3/LSCO heterostructures
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7:2:59:7 Enhanced tunnel magnetoresistance in fully epitaxial ZnO:Co-based magnetic tunnel junctions with Mg-doped ZnO barrier
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7:2:59:8 Investigation of ZnO thin films deposited on ferromagnetic metallic buffer layer by molecular beam epitaxy toward realization of ZnO-based magnetic tunneling junctions
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7:2:59:9 Defect dynamics and spectral observation of twinning in single crystalline LaAlO3 under subbandgap excitation
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7:2:59:10 Microstructure of a-plane ZnO grown on LaAlO3 (001)
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7:2:59:11 Defects in nonpolar (13(4)over-bar0) ZnO epitaxial film grown on (114) LaAlO3 substrate
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7:2:59:12 Optical properties of BaTiO3/ZnO heterostructures under the effect of an applied bias
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7:2:59:13 The role of the interface structure on the growth of nonpolar (10(1)over-bar0) and semipolar (11(2)over-bar(2)over-bar) ZnO on (112) LaAlO3 substrates
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7:2:60:1 Electrical transport behavior of lead-free 0.5Ba(Zr0.2Ti0.8)O-3-0.5 (Ba0.7Ca0.3)TiO3 thin film grown on LaNiO3/Si by pulsed laser deposition
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7:2:60:2 Leakage mechanism of cation -modified BiFeO3 thin film
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7:2:60:3 Influence of La and Mn dopants on the current-voltage characteristics of BiFeO3/ZnO heterojunction
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7:2:60:4 Multiferroic properties and temperature-dependent leakage mechanism of Sc-substituted bismuth ferrite-lead titanate thin films
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7:2:60:5 Temperature-dependent leakage current characteristics of Pr and Mn cosubstituted BiFeO3 thin films
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7:2:60:6 Leakage behavior and conduction mechanisms of Ba(Ti0.85Sn0.15)O-3/Bi1.5Zn1.0Nb1.5O7 heterostructures
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7:2:60:7 Enhanced tunable and pyroelectric properties of Ba(Ti0.85Sn0.15)O-3 thin films with Bi1.5Zn1.0Nb1.5O7 buffer layers
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7:2:60:8 Leakage Current and Dielectric Properties of Integrated Ferroelectric Capacitor Etched in Non-Crystalline Phase
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7:2:61:1 Evidence of Superior Ferroelectricity in Structurally Welded ZnSnO3 Nanowire Arrays
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7:2:61:2 Intrinsic anomalous ferroelectricity in vertically aligned LiNbO3-type ZnSnO3 hybrid nanoparticle-nanowire arrays
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7:2:61:3 First-Principles Studies on Novel Polar Oxide ZnSnO3, Pressure-Induced Phase Transition and Electric Properties
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7:2:61:4 Joining Copper Oxide Nanotube Arrays Driven by the Nanoscale Kirkendall Effect
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7:2:61:5 Energetic stability, structural transition, and thermodynamic properties of ZnSnO3
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7:2:61:6 Structural identification, electronic and optical properties of ZnSnO3: First principle calculations
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7:2:61:7 Controlled synthesis and structure tunability of photocatalytically active mesoporous metal-based stannate nanostructures
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7:2:62:1 Oxygen concentration and its effect on the leakage current in BiFeO3 thin films
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7:2:62:2 Improved ferroelectric property of very thin Mn-doped BiFeO3 films by an inlaid Al2O3 tunnel switch
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7:2:62:3 The improved polarization retention through high-field charge injection in highly strained BiFeO3 thin films with preferred domain orientations
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7:2:62:4 Polarization reversal behavior in the Pt/Pb(Zr,Ti)O-3/Pt and Pt/Al2O3/Pb(Zr,Ti)O-3/Pt capacitors for different reversal directions
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7:2:62:5 Nanosecond-range imprint and retention characterized from polarization-voltage hysteresis loops in insulating or leaky ferroelectric thin films
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7:2:62:6 Tristate Memory Using Ferroelectric-Insulator-Semiconductor Heterojunctions for 50% Increased Data Storage
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7:2:62:7 Nonlinear antiferroelectric-like capacitance-voltage curves in ferroelectric BiFeO3 thin films
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7:2:62:8 Structural and electrical properties of BiFeO3 thin films by solution deposition and microwave annealing
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7:2:62:9 Leakage Current Behaviors of SrTiO3/BiFeO3 Multi-Layers Fabricated by Pulsed Laser Deposition
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7:2:62:10 Effects of Annealing Atmosphere on Structure and Electrical Properties of (Bi0.9Eu0.1) (Fe0.9Mn0.1)O-3 Thin Films
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7:2:62:11 Morphology and orientation of iron oxide precipitates in epitaxial BiFeO3 thin films grown under two non-optimized oxygen pressures
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7:2:62:12 Leakage Current Behaviors of SrTiO3 Capped Mn-doped Polycrystalline BiFeO3 Thin Film
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7:2:63:1 Interplay of Coulomb blockade and ferroelectricity in nanosized granular materials
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7:2:63:2 Interplay of ferroelectricity and single electron tunneling
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7:2:63:3 Coupling of ferroelectricity and ferromagnetism through Coulomb blockade in composite multiferroics
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7:2:63:4 Proximity coupling of a granular film with a ferroelectric substrate and giant electroresistance effect
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7:2:63:5 Single grain heating due to inelastic cotunneling
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7:2:63:6 Universality and quantization of the power-to-heat ratio in nanogranular systems
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7:2:63:7 Relaxation dynamics of the electron distribution in the Coulomb-blockade problem
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7:2:63:8 Heating effects in a chain of quantum dots
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7:2:63:9 Giant quantum freezing of nanojunctions mediated by the environment
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7:2:63:10 Nonlinear transport characteristics of mesoscopic tunnel junctions far from equilibrium
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7:2:63:11 Transport mechanism in granular Ni deposited on carbon nanotubes fibers
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7:2:63:12 Effect of potassium doping on electrical properties of carbon nanotube fibers
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7:2:64:1 Strain-induced control of domain wall morphology in ultrathin PbTiO3 films
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7:2:64:2 Tailoring properties of ferroelectric ultrathin films by partial charge compensation
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7:2:64:3 Epitaxial Pb(Zr, Ti)O-3 Ultrathin Films under Open-Circuit Electrical Boundary Conditions
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7:2:64:4 Chiral Patterns of Tilting of Oxygen Octahedra in Zero-Dimensional Ferroelectrics and Multiferroics: A First Principle-Based Study
DOI:10.1103/PhysRevLett.104.207603 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:9 AU: Sichuga, David;Ren, Wei;Prosandeev, Sergey;Bellaiche, L.;
7:2:64:5 Twin Motion Faster Than the Speed of Sound
DOI:10.1103/PhysRevLett.104.155501 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:8 AU: Faran, Eilon;Shilo, Doron;
7:2:64:6 Domain evolution in epitaxial (001) Pb(Zr,Ti)O-3 ultrathin films under an electric field applied along the [111] direction
DOI:10.1103/PhysRevB.85.214111 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Sichuga, D.;Bellaiche, L.;
7:2:64:7 Nanodynamics of Ferroelectric Ultrathin Films
DOI:10.1103/PhysRevLett.107.177601 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:10 AU: Zhang, Qingteng;Herchig, R.;Ponomareva, I.;
7:2:64:8 Atomistic study of soft-mode dynamics in PbTiO3
DOI:10.1103/PhysRevB.88.064306 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Mani, B. K.;Chang, C. -M.;Ponomareva, I.;
7:2:64:9 Domain wall fluctuations in ferroelectrics coupled to strain
DOI:10.1103/PhysRevB.89.184104 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Brierley, R. T.;Littlewood, P. B.;
7:2:65:1 Semiconducting ferroelectric photovoltaics through Zn2+ doping into KNbO3 and polarization rotation
DOI:10.1103/PhysRevB.89.235105 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Wang, Fenggong;Grinberg, Ilya;Rappe, Andrew M.;
7:2:65:2 Post density functional theoretical studies of highly polar semiconductive Pb(Ti1-xNix)O3-x solid solutions: Effects of cation arrangement on band gap
DOI:10.1103/PhysRevB.83.205115 JN:PHYSICAL REVIEW B PY:2011 TC:19 AU: Gou, G. Y.;Bennett, J. W.;Takenaka, H.;Rappe, A. M.;
7:2:65:3 Structural phase transition, narrow band gap, and room-temperature ferromagnetism in [KNbO3](1-x)[BaNi1/2Nb1/2O3-delta](x) ferroelectrics
DOI:10.1063/1.4896317 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Zhou, Wenliang;Deng, Hongmei;Yang, Pingxiong;Chu, Junhao;
7:2:65:4 Pb-free semiconductor ferroelectrics: A theoretical study of Pd-substituted Ba(Ti1-xCex)O-3 solid solutions
DOI:10.1103/PhysRevB.82.184106 JN:PHYSICAL REVIEW B PY:2010 TC:14 AU: Bennett, Joseph W.;Grinberg, Ilya;Davies, Peter K.;Rappe, Andrew M.;
7:2:65:5 First-principles study of band gap engineering via oxygen vacancy doping in perovskite ABB ' O-3 solid solutions
DOI:10.1103/PhysRevB.84.245206 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Qi, Tingting;Curnan, Matthew T.;Kim, Seungchul;Bennett, Joseph W.;Grinberg, Ilya;Rappe, Andrew M.;
7:2:65:6 Band-gap engineering via local environment in complex oxides
DOI:10.1103/PhysRevB.83.224108 JN:PHYSICAL REVIEW B PY:2011 TC:11 AU: Qi, Tingting;Grinberg, Ilya;Rappe, Andrew M.;
7:2:65:7 Band gap engineering strategy via polarization rotation in perovskite ferroelectrics
DOI:10.1063/1.4871707 JN:APPLIED PHYSICS LETTERS PY:2014 TC:3 AU: Wang, Fenggong;Grinberg, Ilya;Rappe, Andrew M.;
7:2:65:8 Modified structure and electrical properties of BSZT doped KNN hybrid ceramic
DOI:10.1007/s00339-012-6970-y JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2012 TC:2 AU: Rani, Jyoti;Yadav, K. L.;Prakash, Satya;
7:2:65:9 An alternative approach of solid-state reaction to prepare nanocrystalline KNbO3
DOI:10.1007/s10853-010-4431-6 JN:JOURNAL OF MATERIALS SCIENCE PY:2010 TC:6 AU: Su, Tingting;Jiang, Heng;Gong, Hong;Zhai, Yuchun;
7:2:66:1 Diodelike and resistive hysteresis behavior of heterolayered BiFeO3/ZnO ferroelectric thin films
DOI:10.1063/1.3500498 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:21 AU: Wu, Jiagang;Wang, John;
7:2:66:2 ZnO as a buffer layer for growth of BiFeO3 thin films
DOI:10.1063/1.3460108 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:22 AU: Wu, Jiagang;Wang, John;
7:2:66:3 Effect of bottom electrodes on nanoscale switching characteristics and piezoelectric response in polycrystalline BiFeO3 thin films
DOI:10.1063/1.3651383 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:15 AU: Yan, F.;Zhu, T. J.;Lai, M. O.;Lu, L.;
7:2:66:4 Resistive hysteresis in BiFeO3 thin films
DOI:10.1016/j.materresbull.2011.07.030 JN:MATERIALS RESEARCH BULLETIN PY:2011 TC:11 AU: Wu, Jiagang;Wang, John;Xiao, Dingquan;Zhu, Jianguo;
7:2:66:5 Enhanced magnetic properties of chemical solution deposited BiFeO3 thin film with ZnO buffer layer
DOI:10.1016/j.mseb.2012.04.014 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2012 TC:2 AU: Rajalakshmi, R.;Kambhala, Nagaiah;Angappane, S.;
7:2:66:6 Dependence of magnetic properties on the Fe2+ ion in Ba-doped BiFeO3 multiferroic films
DOI:10.1016/j.tsf.2012.01.036 JN:THIN SOLID FILMS PY:2012 TC:4 AU: Yu, Benfang;Li, Meiya;Wang, Jing;Hu, Zhongqiang;Liu, Xiaolian;Zhu, Yongdan;Zhao, Xingzhong;
7:2:66:7 Fabrication and electrical properties of LiNbO3/ZnO/n-Si heterojunction
DOI:10.1063/1.4800705 JN:AIP ADVANCES PY:2013 TC:1 AU: Hao, Lanzhong;Li, Yanrong;Zhu, Jun;Wu, Zhipeng;Deng, Jie;Liu, Xingzhao;Zhang, Wanli;
7:2:66:8 Orientation dependence of resistive hysteresis in bismuth ferrite thin films
DOI:10.1016/j.jallcom.2013.03.121 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:3 AU: Wu, Jiagang;Wang, Xiaopeng;Zhang, Binyu;Zhu, Jianguo;Xiao, Dingquan;
7:2:66:9 Strain relaxation in Bi0.9Pb0.1FeO3/SrRuO3/SrTiO3 heterostructures
DOI:10.1063/1.3671791 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Bohra, Murtaza;Wu, C. P.;Yeh, H. J.;Chou, H.;
7:2:66:10 Influence of oxygen pressure on the ferroelectric properties of BiFeO3 thin films on LaNiO3/Si substrates via laser ablation
DOI:10.1007/s00339-010-5918-3 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:12 AU: Yan, F.;Zhu, T. J.;Lai, M. O.;Lu, L.;
7:2:66:11 BiFeO3/Zn1-xMnxO bilayered thin films
DOI:10.1016/j.apsusc.2011.09.083 JN:APPLIED SURFACE SCIENCE PY:2011 TC:3 AU: Wu, Jiagang;Wang, John;Xiao, Dingquan;Zhu, Jianguo;
7:2:67:1 Multiple Soft-Mode Vibrations of Lead Zirconate
DOI:10.1103/PhysRevLett.112.197601 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:7 AU: Hlinka, J.;Ostapchuk, T.;Buixaderas, E.;Kadlec, C.;Kuzel, P.;Gregora, I.;Kroupa, J.;Savinov, M.;Klic, A.;Drahokoupil, J.;Etxebarria, I.;Dec, J.;
7:2:67:2 Anomalous properties of antiferroelectric PbZrO3 under hydrostatic pressure
DOI:10.1103/PhysRevB.89.214111 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Prosandeev, S.;Xu, Changsong;Faye, R.;Duan, Wenhui;Liu, H.;Dkhil, B.;Janolin, P. -E.;Iniguez, Jorge;Bellaiche, L.;
7:2:67:3 Interplay of epitaxial strain and rotations in PbTiO3/PbZrO3 superlattices from first principles
DOI:10.1103/PhysRevB.84.205413 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Blok, Jeroen L.;Blank, Dave H. A.;Rijnders, Guus;Rabe, Karin M.;Vanderbilt, David;
7:2:67:4 Mode softening, precursor phenomena, and intermediate phases in PbZrO3
DOI:10.1103/PhysRevB.87.184110 JN:PHYSICAL REVIEW B PY:2013 TC:9 AU: Ko, Jae-Hyeon;Gorny, Michal;Majchrowski, Andrzej;Roleder, Krystian;Bussmann-Holder, Annette;
7:2:67:5 Surface polarization, rumpling, and domain ordering of strained ultrathin BaTiO3(001) films with in-plane and out-of-plane polarization
DOI:10.1103/PhysRevB.90.014107 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Dionot, Jelle;Geneste, Gregory;Mathieu, Claire;Barrett, Nick;
7:2:67:6 Antiferroelectricity and ferroelectricity in epitaxially strained PbZrO3 from first principles
DOI:10.1103/PhysRevB.88.180102 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:2:67:7 Temperature dependence of Raman scattering and anharmonic properties in LiNbO3
DOI:10.1007/s00339-014-8485-1 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2014 TC:0 AU: Kokanyan, Ninel;Chapron, David;Fontana, Marc D.;
7:2:67:8 Ferroelectric properties of BaZrO3/PbZrO3 and SrZrO3/PbZrO3 superlattices: An ab-initio study
DOI:10.1063/1.4893300 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Al-Aqtash, Nabil;Alsaad, Ahmad;Sabirianov, Renat;
7:2:67:9 Non-ergodicity and polar features of the transitional phase in lead zirconate
DOI:10.1063/1.4899139 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Faye, R.;Liu, H.;Kiat, J. -M.;Dkhil, B.;Janolin, P. -E.;
7:2:67:10 Mechanism of the abnormal thermal expansion of nearly stoichiometric LiNbO3
DOI:10.1016/j.jcrysgro.2010.10.052 JN:JOURNAL OF CRYSTAL GROWTH PY:2011 TC:3 AU: Yao, S. H.;Wang, J. Y.;Liu, H.;Yan, T.;Yu, D. H.;Chen, Y. F.;
7:2:68:1 High Response Piezoelectric and Piezoresistive Materials for Fast, Low Voltage Switching: Simulation and Theory of Transduction Physics at the Nanometer-Scale
DOI:10.1002/adma.201104617 JN:ADVANCED MATERIALS PY:2012 TC:12 AU: Newns, Dennis M.;Elmegreen, Bruce G.;Liu, Xiao-Hu;Martyna, Glenn J.;
7:2:68:2 A low-voltage high-speed electronic switch based on piezoelectric transduction
DOI:10.1063/1.4704391 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:21 AU: Newns, Dennis;Elmegreen, Bruce;Liu, Xiao Hu;Martyna, Glenn;
7:2:68:3 The piezoelectronic transistor: A nanoactuator-based post-CMOS digital switch with high speed and low power
DOI:10.1557/mrs.2012.267 JN:MRS BULLETIN PY:2012 TC:5 AU: Newns, D. M.;Elmegreen, B. G.;Liu, X-H;Martyna, G. J.;
7:2:68:4 Lateral scaling of Pb(Mg1/3Nb2/3)O-3-PbTiO3 thin films for piezoelectric logic applications
DOI:10.1063/1.4882025 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Keech, Ryan;Shetty, Smitha;Kuroda, Marcelo A.;Liu, Xiao Hu;Martyna, Glenn J.;Newns, Dennis M.;Trolier-McKinstry, Susan;
7:2:68:5 Giant Piezoresistive On/Off Ratios in Rare-Earth Chalcogenide Thin Films Enabling Nanomechanical Switching
DOI:10.1021/nl401710f JN:NANO LETTERS PY:2013 TC:11 AU: Copel, M.;Kuroda, M. A.;Gordon, M. S.;Liu, X-H;Mahajan, S. S.;Martyna, G. J.;Moumen, N.;Armstrong, C.;Rossnagel, S. M.;Shaw, T. M.;Solomon, P. M.;Theis, T. N.;Yurkas, J. J.;Zhu, Y.;Newns, D. M.;
7:2:68:6 Pathway to the Piezoelectronic Transduction Logic Device
DOI:10.1021/nl5046796 JN:NANO LETTERS PY:2015 TC:2 AU: Solomon, P. M.;Bryce, B. A.;Kuroda, M. A.;Keech, R.;Shetty, S.;Shaw, T. M.;Copel, M.;Hung, L. -W.;Schrott, A. G.;Armstrong, C.;Gordon, M. S.;Reuter, K. B.;Theis, T. N.;Haensch, W.;Rossnagel, S. M.;Miyazoe, H.;Elmegreen, B. G.;Liu, X. -H.;Trolier-McKinstry, S.;Martyna, G. J.;Newns, D. M.;
7:2:68:7 Electrode size dependence of piezoelectric response of lead zirconate titanate thin films measured by double beam laser interferometry
DOI:10.1063/1.4821948 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Sivaramakrishnan, S.;Mardilovich, P.;Mason, A.;Roelofs, A.;Schmitz-Kempen, T.;Tiedke, S.;
7:2:68:8 Processing Optimization of Lead Magnesium Niobate-Lead Titanate Thin Films for Piezoelectric MEMS Application
DOI:10.1111/j.1551-2916.2011.05042.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:5 AU: Bastani, Yaser;Bassiri-Gharb, Nazanin;
7:2:68:9 Methods for determining piezoelectric properties of thin epitaxial films: Theoretical foundations
DOI:10.1063/1.4885058 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:3 AU: McCartney, L. N.;Wright, L.;Cain, M. G.;Crain, J.;Martyna, G. J.;Newns, D. M.;
7:2:68:10 A Nanoscale Piezoelectric Transformer for Low-Voltage Transistors
DOI:10.1021/n1502578q JN:NANO LETTERS PY:2014 TC:0 AU: Agarwal, Sapan;Yablonovitch, Eli;
7:2:68:11 Electron transport in nano-scaled piezoelectronic devices
DOI:10.1063/1.4804601 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Jiang, Zhengping;Kuroda, Marcelo A.;Tan, Yaohua;Newns, Dennis M.;Povolotskyi, Michael;Boykin, Timothy B.;Kubis, Tillmann;Klimeck, Gerhard;Martyna, Glenn J.;
7:2:69:1 Anomalous capacitance response induced by the superconducting gap in an Au/BiFeO3/La1.84Sr0.16CuO4/LaSrAlO4 heterostructure
DOI:10.1063/1.4824837 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Liu, F. G.;Xie, L.;Liu, W.;
7:2:69:2 Nature of magnetic domains in an exchange coupled BiFeO3/CoFe heterostructure
DOI:10.1063/1.4795794 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Qiu, D. Y.;Ashraf, K.;Salahuddin, S.;
7:2:69:3 Comment on "Anomalous capacitance response induced by the superconducting gap in an Au/BiFeO3/La1.84Sr0.16CuO4/LaSrAlO4 heterostructure" [Appl. Phys. Lett. 103, 153507 (2013)]
DOI:10.1063/1.4897990 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Zhang, M. J.;Yin, Y. W.;Li, X. G.;
7:2:69:4 Superconducting gap induced barrier enhancement in a BiFeO3-based heterostructure
DOI:10.1063/1.3530446 JN:APPLIED PHYSICS LETTERS PY:2010 TC:7 AU: Lu, C. L.;Wang, Y.;You, L.;Zhou, X.;Peng, H. Y.;Xing, G. Z.;Chia, E. E. M.;Panagopoulos, C.;Chen, L.;Liu, J. -M.;Wang, J.;Wu, T.;
7:2:69:5 Heterojunction of Fe(Se1-xTex) superconductor on Nb-doped SrTiO3
DOI:10.1063/1.3370355 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Wu, C. T.;Chang, H. H.;Luo, J. Y.;Chen, T. J.;Hsu, F. C.;Chen, T. K.;Wang, M. J.;Wu, M. K.;
7:2:69:6 Response to "Comment on 'Anomalous capacitance response induced by the superconducting gap in an Au/BiFeO3/La1.84Sr0.16CuO4/LaSrAlO4 heterostructure'" [Appl. Phys. Lett. 105, 246103 (2014)]
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7:2:69:7 A method for measuring exchange stiffness in ferromagnetic films
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7:2:69:8 Effect of anti-ferromagnet surface moment density on the hysteresis properties of exchange coupled antiferromagnet-ferromagnet systems: The case of bismuth-ferrite
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7:2:69:9 Exchange stiffness in thin film Co alloys
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7:2:69:10 Transport properties in FeSe0.5Te0.5 nanobridges
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7:2:69:11 Fermi level shift in La2-xSrxCuO4 probed by heteroepitaxial junctions with Nb-doped SrTiO3
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7:2:69:12 Ferroelectric Polarization Effects in the Surface Superconductivity
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7:2:70:1 Activated Solutions Enabling Low-Temperature Processing of Functional Ferroelectric Oxides for Flexible Electronics
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7:2:70:2 A UV-absorber bismuth(III)-N-methyldiethanolamine complex as a low-temperature precursor for bismuth-based oxide thin films
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7:2:70:3 A low-temperature crystallization path for device-quality ferroelectric films
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7:2:70:4 A simple, low-cost CVD route to thin films of BiFeO3 for efficient water photo-oxidation
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7:2:70:5 Solution Synthesis of BiFeO3 Thin Films onto Silicon Substrates with Ferroelectric, Magnetic, and Optical Functionalities
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7:2:70:6 Polarization behavior of poly(vinylidene fluoride-trifluoroethylene) copolymer ferroelectric thin film capacitors for nonvolatile memory application in flexible electronics
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7:2:70:7 Photoactivation of Sol-Gel Precursors for the Low-Temperature Preparation of PbTiO3 Ferroelectric Thin Films
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7:2:70:8 Crystallization of lead zirconate titanate without passing through pyrochlore by new solution process
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7:2:70:9 Metal complexes with N-methyldiethanolamine as new photosensitive precursors for the low-temperature preparation of ferroelectric thin films
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7:2:70:10 Aqueous Solutions for Low-Temperature Photoannealing of Functional Oxide Films: Reaching the 400 degrees C Si-Technology Integration Barrier
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7:2:70:11 Use of the solvent chemistry for the control of the critical thickness of PbTiO3 ultrathin films
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7:2:71:1 Bulk interface engineering for enhanced magnetization in multiferroic BiFeO3 compounds
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7:2:71:2 Role of Pb(Zr0.52Ti0.48)O-3 substitution in multiferroic properties of polycrystalline BiFeO3 thin films
DOI:10.1063/1.3668123 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:8 AU: Yan, F.;Zhu, T. J.;Lai, M. O.;Lu, L.;
7:2:71:3 Weak ferromagnetism in La-doped BiFeO3 multiferroic thin films
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7:2:71:4 Effect of nonmagnetic alkaline-earth dopants on magnetic properties of BiFeO3 thin films
DOI:10.1063/1.3622564 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:13 AU: Li, Pai;Lin, Yuan-Hua;Nan, Ce-Wen;
7:2:71:5 Giant room-temperature magnetodielectric coupling in spark plasma sintered brownmillerite ceramics
DOI:10.1063/1.4903479 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Wu, J. W.;Wang, J.;Liu, G.;Wu, Y. J.;Liu, X. Q.;Chen, X. M.;
7:2:71:6 Structural, Raman, and Dielectric Studies on Multiferroic Mn-doped Bi1-xLaxFeO3 Ceramics
DOI:10.1111/jace.12942 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:4 AU: Xing, Zhibiao;Zhu, Xinhua;Zhu, Jianmin;Liu, Zhiguo;Al-Kassab, Talaat;
7:2:71:7 Magnetic-field-induced spin flop transition and magnetoelectric effect in Ca2Fe2-xAlxO5
DOI:10.1103/PhysRevB.89.054437 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Abe, N.;Khanh, N. D.;Sasaki, T.;Arima, T.;
7:2:71:8 Improved multiferroic properties in Sm-doped BiFeO3 thin films deposited using chemical solution deposition method
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7:2:71:9 Magnetodielectric coupling in epitaxial Nd2CoMnO6 thin films with double perovskite structure
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7:2:72:1 Raman spectra and dielectric function of BiCrO3: Experimental and first-principles studies
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7:2:72:2 Strain dependent microstructural modifications of BiCrO3 epitaxial thin films
DOI:10.1016/j.tsf.2013.07.053 JN:THIN SOLID FILMS PY:2013 TC:4 AU: Kannan, Vijayanandhini;Arredondo, Miryam;Johann, Florian;Hesse, Dietrich;Labrugere, Christine;Maglione, Mario;Vrejoiu, Ionela;
7:2:72:3 Microstructure of epitaxial strained BiCrO3 thin films
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7:2:72:4 Constrained ferroelectric domain orientation in (BiFeO3)(m)(SrTiO3)(n) superlattice
DOI:10.1063/1.3275726 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Ranjith, R.;Mangalam, R. V. K.;Boullay, Ph.;David, A.;Lepetit, M. B.;Lueders, U.;Prellier, W.;Da Costa, A.;Ferri, A.;Desfeux, R.;Vincze, Gy.;Radi, Zs.;Aruta, C.;
7:2:72:5 Enhanced electrical and ferroelectric properties in a multiferroic (BiFeO3/Bi0.5Na0.5TiO3)(3)/LaNiO3 superlattices structure
DOI:10.1007/s00339-013-8184-3 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2014 TC:1 AU: Cheng, X. Q.;Miao, J.;Wu, S. Z.;Shao, F.;Guo, L. Q.;Xu, X. G.;Jiang, Y.;
7:2:72:6 Growth of BiFeO3/SrTiO3 artificial superlattice structure by RF sputtering
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7:2:72:7 Raman spectroscopic and X-ray diffraction investigations of epitaxial BiCrO3 thin films
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7:2:72:8 The structure and ferroelectric property of La-doped BiFeO3/SrTiO3 artificial superlattice structure by rf sputtering: Effect of deposition temperature
DOI:10.1016/j.tsf.2012.02.033 JN:THIN SOLID FILMS PY:2013 TC:1 AU: Chiu, Shang-Jui;Liu, Yen-Ting;Yu, Ge-Ping;Lee, Hsin-Yi;Huang, Jia-Hong;
7:2:72:9 Photovoltaic Properties of Multiferroic BiFeO3/BiCrO3 Heterostructures
DOI:10.1111/jace.12837 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:1 AU: Chakrabartty, Joyprokash;Nechache, Riad;Li, Shun;Nicklaus, Mischa;Ruediger, Andreaus;Rosei, Federico;
7:2:72:10 Density functional study of weak ferromagnetism in a thick BiCrO3 film
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7:2:72:11 Strain enhanced ferroelectric properties of multiferroic BiFeO3/SrTiO3 superlattice structure prepared by radio frequency magnetron sputtering
DOI:10.1016/j.tsf.2013.05.004 JN:THIN SOLID FILMS PY:2013 TC:2 AU: Chiu, Shang-Jui;Liu, Yen-Ting;Lee, Hsin-Yi;Yu, Ge-Ping;Huang, Jia-Hong;
7:2:73:1 Magnetically separable BiFeO3 nanoparticles with a gamma-Fe2O3 parasitic phase: controlled fabrication and enhanced visible-light photocatalytic activity
DOI:10.1039/c1jm13072b JN:JOURNAL OF MATERIALS CHEMISTRY PY:2011 TC:23 AU: Guo, Renqing;Fang, Liang;Dong, Wen;Zheng, Fengang;Shen, Mingrong;
7:2:73:2 Nonlinear optical and magnetic properties of BiFeO3 harmonic nanoparticles
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7:2:73:3 Visible light responsive Bi7Fe3Ti3O21 nanoshelf photocatalysts with ferroelectricity and ferromagnetism
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7:2:73:4 Spontaneous polarization in ultrasmall lithium niobate nanocrystals revealed by second harmonic generation
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7:2:73:5 Preparation of BiFeO3-Graphene Nanocomposites and Their Enhanced Photocatalytic Activities
DOI:10.1155/2013/642897 JN:JOURNAL OF NANOMATERIALS PY:2013 TC:1 AU: Dai, J. F.;Xian, T.;Di, L. J.;Yang, H.;
7:2:73:6 Low-temperature hydrothermal synthesis of BiFeO3 microcrystals and their visible-light photocatalytic activity
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7:2:73:7 Orientation of colloidally suspended LiNbO3 nanocrystals in externally applied electric fields
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7:2:73:8 Surface chemical and photocatalytic consequences of Ca-doping of BiFeO3 as probed by XPS and H2O2 decomposition studies
DOI:10.1016/j.apsusc.2014.09.007 JN:APPLIED SURFACE SCIENCE PY:2014 TC:4 AU: Zaki, Mohamed I.;Ramadan, Wegdan;Katrib, Ali;Rabee, Abdallah I. M.;
7:2:73:9 Synthesis of Bismuth Ferrite Nanoparticles via a Wet Chemical Route at Low Temperature
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7:2:73:10 Highly efficient photocatalysis by BiFeO3/alpha(gamma)-Fe2O3 ferromagnetic nano p/n junctions formed by dopant-induced phase separation
DOI:10.1007/s11051-013-1848-2 JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2013 TC:4 AU: Ramadan, Wegdan;Shaikh, Parvez A.;Ebrahim, Sh.;Ramadan, Abdallah;Hannoyer, Beatrice;Jouen, Samuel;Sauvage, Xavier;Ogale, Satishchandra;
7:2:74:1 Structural, Electronic, and Lattice Dynamics of PbTiO3, SnTiO3, and SnZrO3: A Comparative First-Principles Study
DOI:10.1080/10584587.2013.780528 JN:INTEGRATED FERROELECTRICS PY:2013 TC:6 AU: Taib, M. F. M.;Yaakob, M. K.;Hassan, O. H.;Yahya, M. Z. A.;
7:2:74:2 First principles calculation on structural and lattice dynamic of SnTiO3 and SnZrO3
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7:2:74:3 Theory of prospective perovskite ferroelectrics with double rocksalt order
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7:2:74:4 Influences of Epitaxial Strain and Volume on BaTiO3: Ab Initio Total Energy Calculation
DOI:10.1080/10584587.2014.905350 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Mansor, F. D.;Yaakob, M. K.;Taib, M. F. M.;Kudin, T. I. T.;Hassan, O. H.;Yahya, M. Z. A.;
7:2:74:5 First principle study on structural, elastic and electronic properties of cubic BiFeO3
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7:2:74:6 Determination of Electronic Structure and Band Gap of Li2MnP2O7 via First-Principle Study
DOI:10.1080/10584587.2014.905160 JN:INTEGRATED FERROELECTRICS PY:2014 TC:1 AU: Rasiman, M. S. A.;Badrudin, F. W.;Kudin, T. I. T.;Yaakob, M. K.;Taib, M. F. M.;Yahya, M. Z. A.;Hassan, O. H.;
7:2:74:7 First Principles LDA plus U Calculations for ZnO Materials
DOI:10.1080/10584587.2014.905086 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Yaakob, M. K.;Hussin, N. H.;Taib, M. F. M.;Kudin, T. I. T.;Hassan, O. H.;Ali, A. M. M.;Yahya, M. Z. A.;
7:2:74:8 First-Principles Comparative Study of the Electronic and Optical Properties of Tetragonal (P4mm) ATiO(3) (A = Pb,Sn,Ge)
DOI:10.1080/10584587.2014.905105 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Taib, M. F. M.;Yaakob, M. K.;Badrudin, F. W.;Rasiman, M. S. A.;Kudin, T. I. T.;Hassan, O. H.;Yahya, M. Z. A.;
7:2:74:9 First-Principles Calculation of the Structural, Elastic, Electronic and Lattice Dynamics of GeTiO3
DOI:10.1080/00150193.2013.841525 JN:FERROELECTRICS PY:2013 TC:1 AU: Taib, M. F. M.;Yaakob, M. K.;Badrudin, F. W.;Kudin, T. I. T.;Hassan, O. H.;Yahya, M. Z. A.;
7:2:74:10 First Principles Calculation of Tetragonal (P4 mm) Pb-free Ferroelectric Oxide of SnTiO3
DOI:10.1080/00150193.2013.849178 JN:FERROELECTRICS PY:2014 TC:0 AU: Taib, M. F. M.;Yaakob, M. K.;Badrudin, F. W.;Kudin, T. I. T.;Hassan, O. H.;Yahya, M. Z. A.;
7:2:74:11 Ab Initio Studies on the Structural and Electronic Properties of Bismuth Ferrite Based on Ferroelectric Hexagonal Phase and Paraelectric Orthorhombic Phase
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7:2:75:1 Effect of space charge on the polarization hysteresis characteristics of monolithic and compositionally graded ferroelectrics
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7:2:75:2 Asymmetric hysteresis loops and smearing of the dielectric anomaly at the transition temperature due to space charges in ferroelectric thin films
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7:2:75:3 Thickness driven stabilization of saw-tooth-like domains upon phase transitions in ferroelectric thin films with depletion charges
DOI:10.1063/1.3691938 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Misirlioglu, I. B.;Cologlu, H. N.;Yildiz, M.;
7:2:75:4 Spinodal single-domain -> polydomain transition and P-E hysteresis in thin ferroelectric films
DOI:10.1016/j.actamat.2009.10.016 JN:ACTA MATERIALIA PY:2010 TC:5 AU: Artemev, A.;Roytburd, A.;
7:2:75:5 Effect of Asymmetrical Interface Charges on the Hysteresis and Domain Configurations of Ferroelectric Thin Films
DOI:10.1080/10584587.2011.575017 JN:INTEGRATED FERROELECTRICS PY:2011 TC:2 AU: Misirlioglu, I. B.;Okatan, M. B.;Alpay, S. P.;
7:2:75:6 Improved dielectric and electrical insulating properties in Pb(Mg1/3Nb2/3)(0.62)Ti0.38O3 based multilayer ferroelectric thin films
DOI:10.1016/j.tsf.2012.08.049 JN:THIN SOLID FILMS PY:2012 TC:1 AU: Zhou, Dan;Tang, Yanxue;Wang, Feifei;Xie, Dongzhu;Sun, Dazhi;Shi, Wangzhou;Tian, Li;Sun, Jinglan;Meng, Xiangjian;Chu, Junhao;Kong, Weijin;Luo, Laihui;
7:2:75:7 Hysteretic electrical transport in BaTiO3/Ba1-xSrxTiO3/Ge heterostructures
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7:2:75:8 Domain Structure and P(E) Hysteresis in m BaxSr(1-x)TiO3 - n BaTiO3 Bilayers on SrTiO3 Substrate
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7:2:75:9 Twisted ferroelectric liquid crystals dynamic behaviour modification under electric field: A Mueller matrix polarimetry approach using birefringence
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7:2:76:1 Structural and electronic properties of oxygen vacancy in lead-free KTa1-xNbxO3: Comparative first-principles calculations
DOI:10.1016/j.commatsci.2012.07.024 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2012 TC:2 AU: Shen, Yanqing;Zhou, Zhongxiang;
7:2:76:2 Theory of Giant Electromechanical Response from Ferroelectric Bilayers with Polydomain Structures due to Interlayer and Interdomain Coupling
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7:2:76:3 Trapping of oxygen vacancy at grain boundary and its correlation with local atomic configuration and resultant excess energy in barium titanate: A systematic computational analysis
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7:2:76:4 Defects and transport processes in beryllium
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7:2:76:5 Voltage bias induced modification of the transport property of all oxide Pr0.5Ca0.5MnO3/SrTi0.95Nb0.05O3 junctions
DOI:10.1063/1.3580507 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Ghosh, Barnali;Das, K.;Raychaudhuri, A. K.;
7:2:76:6 Oxygen atoms and molecules at La1-xSrxMnO3 surfaces
DOI:10.1103/PhysRevB.81.045433 JN:PHYSICAL REVIEW B PY:2010 TC:4 AU: Harrison, Walter A.;
7:2:76:7 Phase field simulations of ferroelectrics domain structures in PbZrxTi1-xO3 bilayers
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7:2:76:8 Comment on "Theory of Giant Electromechanical Response from Ferroelectric Bilayers with Polydomain Structures due to Interlayer and Interdomain Coupling''
DOI:10.1103/PhysRevLett.107.139701 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:1 AU: Pertsev, N. A.;
7:2:76:9 Comment on "Theory of Giant Electromechanical Response from Ferroelectric Bilayers with Polydomain Structures due to Interlayer and Interdomain Coupling'' Reply
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7:2:76:10 Room temperature resistive state switching with hysteresis in GdMnO3 thin film with low threshold voltage
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7:2:76:11 Interactions of extrinsic interstitial atoms (H, He, O, C) with vacancies in beryllium from first-principles
DOI:10.1016/j.commatsci.2014.04.028 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2014 TC:1 AU: Zhang, Pengbo;Zhao, Jijun;
7:2:77:1 The Size-Dependent Ferroelectric Phase Transition in BaTiO3 Nanocrystals Probed by Surface Plasmons
DOI:10.1021/nn102385e JN:ACS NANO PY:2011 TC:21 AU: Szwarcman, Daniel;Vestler, Daniel;Markovich, Gil;
7:2:77:2 Probing Local Dipoles and Ligand Structure in BaTiO3 Nanoparticles
DOI:10.1021/cm100440p JN:CHEMISTRY OF MATERIALS PY:2010 TC:40 AU: Page, Katharine;Proffen, Thomas;Niederberger, Markus;Seshadri, Ram;
7:2:77:3 Ferroelectric domains and diffuse transitions in ultrathin films of PbTiO3: Effects of strain and electrodes
DOI:10.1103/PhysRevB.88.064102 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Kouser, Summayya;Nishimatsu, Takeshi;Waghmare, Umesh V.;
7:2:77:4 A modified Landau-Devonshire thermodynamic potential for strontium titanate
DOI:10.1063/1.3442915 JN:APPLIED PHYSICS LETTERS PY:2010 TC:7 AU: Sheng, G.;Li, Y. L.;Zhang, J. X.;Choudhury, S.;Jia, Q. X.;Gopalan, V.;Schlom, D. G.;Liu, Z. K.;Chen, L. Q.;
7:2:77:5 Phase transitions and domain stabilities in biaxially strained (001) SrTiO3 epitaxial thin films
DOI:10.1063/1.3488636 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Sheng, G.;Li, Y. L.;Zhang, J. X.;Choudhury, S.;Jia, Q. X.;Gopalan, V.;Schlom, D. G.;Liu, Z. K.;Chen, L. Q.;
7:2:77:6 Diffuse phase transitions in ferroelectric ultrathin films from first principles
DOI:10.1103/PhysRevB.81.094119 JN:PHYSICAL REVIEW B PY:2010 TC:5 AU: Bin-Omran, S.;Kornev, I.;Ponomareva, I.;Bellaiche, L.;
7:2:77:7 Size dependent transition enthalpy in PbTiO3 nanoparticles due to a cubic surface layer
DOI:10.1007/s00339-012-7274-y JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:1 AU: Ma, Wenhui;
7:2:77:8 Correlation between interfacial defects and ferromagnetism of BaTiO3 nanocrystals studied by positron annihilation
DOI:10.1016/j.apsusc.2011.07.132 JN:APPLIED SURFACE SCIENCE PY:2011 TC:4 AU: Chen, Zhi-Yuan;Chen, Z. Q.;Wang, D. D.;Wang, S. J.;
7:2:77:9 Study of 90 degrees and 180 degrees Nanodomains in BaTiO3 Nanoparticles Using Transmission Electron Microscopy
DOI:10.1080/00150193.2014.964095 JN:FERROELECTRICS PY:2014 TC:3 AU: Dudhe, C. M.;Nagdeote, S. B.;Khambadkar, S. J.;Arjunwadkar, P. R.;Patil, R. R.;
7:2:77:10 Surface and finite size effect on fluctuations dynamics in nanoparticles with long-range order
DOI:10.1063/1.3291126 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Morozovska, A. N.;Eliseev, E. A.;
7:2:78:1 Modeling the switching kinetics in ferroelectrics
DOI:10.1063/1.3660680 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:9 AU: Kliem, Herbert;Kuehn, Markus;
7:2:78:2 The Weiss Field Revisited
DOI:10.1080/00150193.2010.505465 JN:FERROELECTRICS PY:2010 TC:13 AU: Kliem, H.;Kuehn, M.;Martin, B.;
7:2:78:3 Ferroelectric switching in Langmuir-Blodgett and spin-coated thin films of poly(vinylidene fluoride/trifluoroethylene) copolymers
DOI:10.1063/1.3636397 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:10 AU: Mai, Manfang;Martin, Bjoern;Kliem, Herbert;
7:2:78:4 Polarization relaxation and charge injection in thin films of poly(vinylidene fluoride/trifluoroethylene) copolymer
DOI:10.1063/1.4817508 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Mai, Manfang;Martin, Bjoern;Kliem, Herbert;
7:2:78:5 A model for the double loop of ferroelectric polarization close to T-C
DOI:10.1063/1.4795113 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Kliem, Herbert;Leschhorn, Andreas;Edtbauer, Tobias;
7:2:78:6 Microscopic model of domain wall motion
DOI:10.1063/1.4868901 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Leschhorn, Andreas;Djoumbou, Stephane;Kliem, Herbert;
7:2:78:7 Strain Induced Change from Second Order to First Order Ferroelectric Phase Transition
DOI:10.1080/00150193.2011.634747 JN:FERROELECTRICS PY:2011 TC:7 AU: Kliem, H.;
7:2:78:8 Simulation of effective dielectric permittivities: Comparison of different crystal structures, amorphous systems, and nanocomposites
DOI:10.1063/1.3633768 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Leschhorn, A.;Kliem, H.;
7:2:78:9 Observation of thermal Barkhausen effect in ferroelectric films of poly(vinylidene fluoride/trifluoroethylene) copolymer
DOI:10.1063/1.4845395 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Mai, Manfang;Kliem, Herbert;
7:2:78:10 Influence of the piezoeffect on static and dynamic ferroelectric properties
DOI:10.1063/1.4820574 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Leschhorn, Andreas;Kliem, Herbert;
7:2:78:11 Nonlinear dielectric response and transient current: An effective potential for ferroelectric domain wall displacement
DOI:10.1063/1.4820589 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Jimenez, Rolando Placeres;Rino, Jose Pedro;Goncalves, Andre Marino;Eiras, Jose Antonio;
7:2:78:12 Phase Transitions in the Modified Weiss Model
DOI:10.1080/00150193.2010.505466 JN:FERROELECTRICS PY:2010 TC:3 AU: Kuehn, M.;Kliem, H.;
7:2:78:13 Modeling of Ferroelectric-Dielectric Nanocomposites
DOI:10.1080/00150193.2010.484716 JN:FERROELECTRICS PY:2010 TC:3 AU: Nechaev, V. N.;Shuba, A. V.;
7:2:78:14 Interacting and noninteracting dipole systems in ferroelectric poly(vinylidene fluoride-trifluoroethylene) copolymer
DOI:10.1063/1.3499614 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Martin, Bjoern;Kuehn, Markus;Kliem, Herbert;
7:2:79:1 Goldstone-like States in a Layered Perovskite with Frustrated Polarization: A First-Principles Investigation of PbSr2Ti2O7
DOI:10.1103/PhysRevLett.104.097601 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:15 AU: Nakhmanson, S. M.;Naumov, Ivan;
7:2:79:2 Strain induced vortex-to-uniform polarization transitions in soft-ferroelectric nanoparticles
DOI:10.1063/1.4887068 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Lee, Byounghak;Nakhmanson, Serge M.;Heinonen, Olle;
7:2:79:3 First-principles study of competing ferroelectric and antiferroelectric instabilities in BaTiO3/BaO superlattices
DOI:10.1103/PhysRevB.82.045426 JN:PHYSICAL REVIEW B PY:2010 TC:10 AU: Bousquet, Eric;Junquera, Javier;Ghosez, Philippe;
7:2:79:4 Influence of dielectric stiffness, interface, and layer thickness on hysteresis loops of ferroelectric superlattices
DOI:10.1063/1.3630016 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Chew, K. -H.;Ong, L. -H.;Iwata, M.;
7:2:79:5 Structural and electronic properties of PbTiO3/SrTiO3 superlattices from first principles
DOI:10.1103/PhysRevB.82.134102 JN:PHYSICAL REVIEW B PY:2010 TC:3 AU: Gu, Mingqiang;Wang, Jianli;Xie, Q. Y.;Wu, X. S.;
7:2:79:6 Chemical control of polar behavior in bicomponent short-period superlattices
DOI:10.1103/PhysRevB.81.235112 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Das, Hena;Spaldin, Nicola A.;Waghmare, Umesh V.;Saha-Dasgupta, T.;
7:2:79:7 Piezoelectrics by design: A route through short-period Perovskite superlattices
DOI:10.1063/1.3561843 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Das, Hena;Waghmare, Umesh V.;Saha-Dasgupta, Tanusri;
7:2:79:8 The Behavior of Ferroelectric Instability in the Perovskite SrTiO3 With Doping Trivalent Ions Sc3+, In3+, La3+, Bi3+
DOI:10.1080/00150193.2011.577315 JN:FERROELECTRICS PY:2011 TC:0 AU: Zamkova, N. G.;Zinenko, V. I.;
7:2:79:9 Lattice Vibrations in Finite Discrete Systems with Symmetric and Asymmetric Boundary Conditions
DOI:10.1080/00150193.2012.678099 JN:FERROELECTRICS PY:2012 TC:0 AU: Iwata, Makoto;Ishibashi, Yoshihiro;
7:2:80:1 Combined effects of Bi deficiency and Mn substitution on the structural transformation and functionality of BiFeO3 films
DOI:10.1063/1.4901323 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Chen, Jingyi;Wang, Yao;Deng, Yuan;
7:2:80:2 Improving the optical absorption of BiFeO3 for photovoltaic applications via uniaxial compression or biaxial tension
DOI:10.1063/1.4793397 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Dong, Huafeng;Wu, Zhigang;Wang, Shanying;Duan, Wenhui;Li, Jingbo;
7:2:80:3 Double polarization hysteresis loop induced by the domain pinning by defect dipoles in HoMnO3 epitaxial thin films
DOI:10.1103/PhysRevB.81.012101 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Lee, D.;Kim, H. S.;Jang, S. Y.;Joh, K. W.;Noh, T. W.;Yu, J.;Lee, C. E.;Yoon, J. -G.;
7:2:80:4 Magnetoelectric properties of particulate and bi-layer PMN-PT/CoFe2O4 composites
DOI:10.1016/j.jmmm.2011.08.056 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:7 AU: Mathe, V. L.;Sheikh, A. D.;Srinivasan, G.;
7:2:80:5 Photo-magnetic assisted ferroelectric polarization in magneto-electric BiFeO3/BaTiO3 thin film
DOI:10.1016/j.jmmm.2013.12.014 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:1 AU: Khalkhali, S. M. H.;Tehranchi, M. M.;Hamidi, S. M.;
7:2:80:6 Piezoresponse force microscopy and vibrating sample magnetometer study of single phased Mn induced multiferroic BiFeO3 thin film
DOI:10.1063/1.3699021 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:8 AU: Gupta, Surbhi;Sharma, Anjali;Tomar, Monika;Gupta, Vinay;Pal, Madhuparna;Guo, Ruyan;Bhalla, Amar;
7:2:80:7 Microstructure-property relationship in magnetoelectric bulk composites
DOI:10.1016/j.jmmm.2010.10.038 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:6 AU: Sheikh, Arif D.;Fawzi, Abdulsamee;Mathe, V. L.;
7:2:80:8 Spin exchange interactions in hexagonal manganites RMnO3 (R = Tb, Dy, Ho, Er) epitaxial thin films
DOI:10.1063/1.3622768 JN:APPLIED PHYSICS LETTERS PY:2011 TC:3 AU: Chen, Xiang-Bai;Nguyen Thi Minh Hien;Lee, D.;Jang, S. -Y.;Noh, T. W.;Yang, In-Sang;
7:2:81:1 Electrical transport and resistance switching characteristics of BiFeO3/Nb:SrTiO3/GaAs heterostructure fabricated by pulsed laser deposition
DOI:10.1063/1.4890115 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Huang, W.;Yang, J. J.;Gao, G. Y.;Lei, Y.;Zhu, J.;Zeng, H. Z.;Zheng, F. G.;Hao, J. H.;
7:2:81:2 Heteroepitaxial growth and multiferroic properties of Mn-doped BiFeO3 films on SrTiO3 buffered III-V semiconductor GaAs
DOI:10.1063/1.4820579 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Gao, G. Y.;Yang, Z. B.;Huang, W.;Zeng, H. Z.;Wang, Y.;Chan, H. L. W.;Wu, W. B.;Hao, J. H.;
7:2:81:3 Interfacial and rectifying characteristic of epitaxial SrTiO3-delta/GaAs p-n junctions
DOI:10.1016/j.scriptamat.2011.04.035 JN:SCRIPTA MATERIALIA PY:2011 TC:8 AU: Wei, X. H.;Huang, W.;Yang, Z. B.;Hao, J. H.;
7:2:81:4 Structural and resistance switching properties of ZnO/SrTiO3/GaAs heterostructure grown by laser molecular beam epitaxy
DOI:10.1063/1.3505136 JN:APPLIED PHYSICS LETTERS PY:2010 TC:8 AU: Huang, W.;Dai, J. Y.;Hao, J. H.;
7:2:81:5 Influence of target composition and deposition temperature on the domain structure of BiFeO3 thin films
DOI:10.1063/1.4757938 JN:AIP ADVANCES PY:2012 TC:2 AU: Guo, Rui;You, Lu;Motapothula, M.;Zhang, Zhen;Breese, M. B. H.;Chen, Lang;Wu, Di;Wang, Junling;
7:2:81:6 Mechanical Polishing Effects Toward Surface Domain Evolution in Pb(Zn1/3Nb2/3)O-3-PbTiO3 Single Crystals
DOI:10.1111/j.1551-2916.2010.04204.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:7 AU: Wong, Meng Fei;Zeng, Kaiyang;
7:2:81:7 Effects of SrTiO(3)/TiO(2) buffer layer on structural and electrical properties of BiFeO(3) thin films grown on GaN (0002)
DOI:10.1063/1.3585836 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Luo, W. B.;Zhu, J.;Zeng, H. Z.;Liao, X. W.;Chen, H.;Zhang, W. L.;Li, Y. R.;
7:2:81:8 Anomalous electrical transport characteristics of orthorhombic HoMnO3/Nb-doped SrTiO3 epitaxial heterojunctions
DOI:10.1063/1.3391162 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:3 AU: Wang, Weitian;Zhang, Lixin;Yuan, Dehua;Sun, Yuming;
7:2:81:9 In-plane dielectric properties of epitaxial Ba0.7Sr0.3TiO3 thin films grown on GaAs for tunable device application
DOI:10.1063/1.4749270 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Yang, Zhibin;Hao, Jianhua;
7:2:81:10 Epitaxial Growth and Ferroelectricity of BaTiO3 on SrRuO3/TiO2 Buffered GaN
DOI:10.1080/00150193.2010.484334 JN:FERROELECTRICS PY:2010 TC:2 AU: Luo, W. B.;Zhu, J.;Li, Y. R.;Zhang, Y.;Chen, H.;
7:2:81:11 Epitaxial growth of ZnO layers on (111) GaAs substrates by laser molecular beam epitaxy
DOI:10.1016/j.tsf.2011.11.018 JN:THIN SOLID FILMS PY:2012 TC:1 AU: Ding, Jian;Zhang, Di;Konomi, Takaharu;Saito, Katsuhiko;Guo, Qixin;
7:2:82:1 Sub-Picosecond Processes of Ferroelectric Domain Switching from Field and Temperature Experiments
DOI:10.1002/adfm.201101521 JN:ADVANCED FUNCTIONAL MATERIALS PY:2012 TC:13 AU: Jiang, An Quan;Lee, Hyun Ju;Hwang, Cheol Seong;Scott, James F.;
7:2:82:2 Subpicosecond Domain Switching in Discrete Regions of Pb(Zr0.35Ti0.65)O3 Thick Films
DOI:10.1002/adfm.201102829 JN:ADVANCED FUNCTIONAL MATERIALS PY:2012 TC:5 AU: Jiang, An Quan;Chen, Zhi Hui;Hui, Wen Yuan;Wu, Dongping;Scott, James F.;
7:2:82:3 High-temperature, high-pressure Raman spectra and their intrinsic anharmonic effects in the perovskite Pb1-xLaxTiO3
DOI:10.1063/1.4772721 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:8 AU: Joya, Miryam R.;Barba-Ortega, J.;Pizani, P. S.;
7:2:82:4 Pressure-temperature-La concentration three-dimensional phase diagram of La-modified PbTiO3 determined by Raman scattering
DOI:10.1063/1.3464971 JN:APPLIED PHYSICS LETTERS PY:2010 TC:12 AU: Joya, M. R.;Pizani, P. S.;
7:2:82:5 In situ structure characterization of Pb(Yb1/2Nb1/2)O-3-PbTiO3 crystals under high pressure-temperature
DOI:10.1063/1.4742165 JN:APPLIED PHYSICS LETTERS PY:2012 TC:2 AU: Kong, Lingping;Wang, Luhong;Zhang, Shujun;Tschauner, Oliver;Zhao, Yusheng;Yang, Wenge;Liu, Haozhe;Mao, Ho-kwang;
7:2:82:6 Thermal equations of state and phase relation of PbTiO3: A high P-T synchrotron x-ray diffraction study
DOI:10.1063/1.3651377 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:11 AU: Zhu, Jinlong;Xu, Hongwu;Zhang, Jianzhong;Jin, Changqing;Wang, Liping;Zhao, Yusheng;
7:2:82:7 Thermodynamic and mechanical properties of TiC from ab initio calculation
DOI:10.1063/1.4890307 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:5 AU: Dang, D. Y.;Fan, J. L.;Gong, H. R.;
7:2:82:8 Piezoelectric and dielectric characteristics of lead-free BNKLBT ceramic thick film and multilayered piezoelectric actuators
DOI:10.1016/j.ceramint.2010.07.030 JN:CERAMICS INTERNATIONAL PY:2010 TC:5 AU: Choy, S. H.;Jiang, X. P.;Kwok, K. W.;Chan, H. L. W.;
7:2:82:9 Thermal equation of state of TiC: A synchrotron x-ray diffraction study
DOI:10.1063/1.3436571 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:3 AU: Yu, Xiaohui;Lin, Zhijun;Zhang, Jianzhong;Wang, Liping;Ding, Zejun;Jin, Changqing;Zhao, Yusheng;
7:2:82:10 The creep process of the domain switching in poly(vinylidene fluoride-trifluoroethylene) ferroelectric thin films
DOI:10.1063/1.4816749 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Tian, B. B.;Chen, Z. H.;Jiang, A. Q.;Zhao, X. L.;Liu, B. L.;Wang, J. L.;Han, L.;Sun, Sh.;Sun, J. L.;Meng, X. J.;Chu, J. H.;
7:2:82:11 Estimation of film-electrode contact resistance and domain switching time from ferroelectric polarization-voltage hysteresis loops
DOI:10.1016/j.tsf.2013.07.060 JN:THIN SOLID FILMS PY:2013 TC:0 AU: Jiang, A. Q.;Zhang, D. W.;
7:2:83:1 Growth and characterisation of multiferroic BiFeO3 films with fully saturated ferroelectric hysteresis loops and large remanent polarisations
DOI:10.1016/j.jeurceramsoc.2009.05.038 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:15 AU: Qi, Xiaoding;Chang, Wen-Chih;Kuo, Jui-Chao;Chen, In-Gann;Chen, Yi-Chun;Ko, Cheng-Hung;Huang, Jung-Chun-Andrew;
7:2:83:2 Exchange bias and magneto-resistance in an all-oxide spin valve with multi-ferroic BiFeO3 as the pinning layer
DOI:10.1016/j.actamat.2013.08.054 JN:ACTA MATERIALIA PY:2013 TC:1 AU: Lin, Wei-Jui;Chang, Wei-Che;Qi, Xiaoding;
7:2:83:3 Magnetic and Dielectric Properties of Nanostructured BiFeO3 Prepared by Sol-Gel Method
DOI:10.1111/jace.12960 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:1 AU: Lu, Shih-Zong;Qi, Xiaoding;
7:2:83:4 Substrate-dependant chemical stability and conductivity of LaNiO3-x thin films
DOI:10.1016/j.tsf.2012.05.049 JN:THIN SOLID FILMS PY:2013 TC:4 AU: Hsiao, Chun-Lung;Qi, Xiaoding;
7:2:83:5 Epitaxial growth and exchange coupling of spinel ferrimagnet Ni0.3Zn0.7Fe2O4 on multiferroic BiFeO3
DOI:10.1016/j.tsf.2011.03.068 JN:THIN SOLID FILMS PY:2011 TC:5 AU: Lin, Wei-Jui;Qi, Xiaoding;Chern, Gung;Huang, Jung-Chun-Andrew;
7:2:83:6 Direct observation of oxygen vacancy and its effect on the microstructure, electronic and transport properties of sputtered LaNiO3-delta films on Si substrates
DOI:10.1016/j.tsf.2010.08.129 JN:THIN SOLID FILMS PY:2010 TC:8 AU: Qiao, Liang;Bi, Xiaofang;
7:2:83:7 Sputter-epitaxy and electric properties of multiferroic Bim+1Fem-3Ti3O3m+3 thin films
DOI:10.1016/j.tsf.2011.03.069 JN:THIN SOLID FILMS PY:2011 TC:1 AU: Yamaguchi, K.;Gomi, M.;Shimizu, Y.;Yokota, T.;
7:2:83:8 Structural, Dielectric and Leakage Current Behaviors of Ti-Substituted BiFeO3 Ceramics
DOI:10.1080/00150193.2010.492028 JN:FERROELECTRICS PY:2011 TC:3 AU: Cho, J. H.;Lee, S. C.;Yeo, H. G.;Sung, Y. S.;Kim, M. -H.;Song, T. K.;Kim, S. S.;Choi, B. C.;
7:2:83:9 Annealing temperature dependence of exchange bias in BiFeO3/CoFe bilayers
DOI:10.1063/1.3673435 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Yu, T.;Naganuma, H.;Wang, W. X.;Ando, Y.;Han, X. F.;
7:2:84:1 Chiral Selectivity of Unusual Helimagnetic Transition in Iron Nanotubes: Chirality Makes Quantum Helimagnets
DOI:10.1021/nl401047z JN:NANO LETTERS PY:2013 TC:5 AU: Shimada, Takahiro;Okuno, Junichi;Kitamura, Takayuki;
7:2:84:2 Ab initio study of magnetism at iron surfaces under epitaxial in-plane strain
DOI:10.1103/PhysRevB.81.134420 JN:PHYSICAL REVIEW B PY:2010 TC:15 AU: Shimada, Takahiro;Ishii, Yoshiyuki;Kitamura, Takayuki;
7:2:84:3 Ab initio study of ferromagnetic single-wall nickel nanotubes
DOI:10.1103/PhysRevB.84.165452 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Shimada, Takahiro;Ishii, Yoshiyuki;Kitamura, Takayuki;
7:2:84:4 Chiral selectivity of improper ferroelectricity in single-wall PbTiO3 nanotubes
DOI:10.1103/PhysRevB.89.144102 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Wang, Jie;Xu, Tao;Shimada, Takahiro;Wang, Xiaoyuan;Zhang, Tong-Yi;Kitamura, Takayuki;
7:2:84:5 Ab initio study of energetics and magnetism of Fe, Co, and Ni along the trigonal deformation path
DOI:10.1103/PhysRevB.83.184424 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Zeleny, M.;Friak, M.;Sob, M.;
7:2:84:6 Ab initio study of spin-spiral noncollinear magnetism in a free-standing Fe(110) monolayer under in-plane strain
DOI:10.1103/PhysRevB.85.134440 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Shimada, Takahiro;Okuno, Junichi;Kitamura, Takayuki;
7:2:84:7 Ab initio study of ferromagnetism in edged iron nanowires under axial strain
DOI:10.1103/PhysRevB.84.174405 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Shimada, Takahiro;Ishii, Yoshiyuki;Kitamura, Takayuki;
7:2:84:8 Influence of normal and shear strain on magnetic anisotropy energy of hcp cobalt: An ab initio study
DOI:10.1557/jmr.2013.149 JN:JOURNAL OF MATERIALS RESEARCH PY:2013 TC:1 AU: Wang, Juan;Albina, Jan-Michael;Iwasaki, Tomio;Moriya, Hiroshi;Umeno, Yoshitaka;
7:2:85:1 Very large dielectric response from ferroelectric nanocapacitor films due to collective surface and strain relaxation effects
DOI:10.1063/1.4831939 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Misirlioglu, I. B.;Yildiz, M.;
7:2:85:2 Misfit strain-film thickness phase diagrams and related electromechanical properties of epitaxial ultra-thin lead zirconate titanate films
DOI:10.1016/j.actamat.2009.09.060 JN:ACTA MATERIALIA PY:2010 TC:13 AU: Qiu, Q. Y.;Mahjoub, R.;Alpay, S. P.;Nagarajan, V.;
7:2:85:3 Piezoelectric response of single-crystal PbZr1-xTixO3 near morphotropic phase boundary predicted by phase-field simulation
DOI:10.1063/1.3530443 JN:APPLIED PHYSICS LETTERS PY:2010 TC:8 AU: Cao, Y.;Sheng, G.;Zhang, J. X.;Choudhury, S.;Li, Y. L.;Randall, C. A.;Chen, L. Q.;
7:2:85:4 Phase-field simulations of thickness-dependent domain stability in PbTiO3 thin films
DOI:10.1016/j.actamat.2012.03.003 JN:ACTA MATERIALIA PY:2012 TC:6 AU: Sheng, G.;Hu, J. M.;Zhang, J. X.;Li, Y. L.;Liu, Z. K.;Chen, L. Q.;
7:2:85:5 Inhibition of polydomain formation in PbTiO3/PbZr0.2Ti0.8O3 superlattices by intercalation of ultra-thin SrTiO3 layers
DOI:10.1063/1.3619843 JN:APPLIED PHYSICS LETTERS PY:2011 TC:1 AU: Hubault, C.;Davoisne, C.;Dupont, L.;Perrin, A.;Boulle, A.;Holc, J.;Kosec, M.;Karkut, M. G.;Lemee, N.;
7:2:85:6 Strain effect in PbTiO3/PbZr0.2Ti0.8O3 superlattices: From polydomain to monodomain structures
DOI:10.1063/1.4767329 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Hubault, C.;Davoisne, C.;Boulle, A.;Dupont, L.;Demange, V.;Perrin, A.;Gautier, B.;Holc, J.;Kosec, M.;Karkut, M. G.;Lemee, N.;
7:2:85:7 Structural investigation of interface and defects in epitaxial Bi3.25La0.75Ti3O12 film on SrRuO3/SrTiO3 (111) and (100)
DOI:10.1063/1.4775598 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Gunawan, Lina;Zhu, Guo-zhen;Shao, Yang;Lazar, Sorin;Gautreau, Olivier;Harnagea, Catalin;Pignolet, Alain;Botton, Gianluigi A.;
7:2:86:1:1 Direct writing of ferroelectric domains on strontium barium niobate crystals using focused ultraviolet laser light
DOI:10.1063/1.4823702 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Boes, Andreas;Crasto, Tristan;Steigerwald, Hendrik;Wade, Scott;Frohnhaus, Jakob;Soergel, Elisabeth;Mitchell, Arnan;
7:2:86:1:2 Ultraviolet laser induced domain inversion on chromium coated lithium niobate crystals
DOI:10.1364/OME.4.000241 JN:OPTICAL MATERIALS EXPRESS PY:2014 TC:1 AU: Boes, Andreas;Yudistira, Didit;Crasto, Tristan;Steigerwald, Hendrik;Sivan, Vijay;Limboeck, Thorsten;Friend, James;Mailis, Sakellaris;Soergel, Elisabeth;Mitchell, Arnan;
7:2:86:1:3 Direct writing of ferroelectric domains on the x- and y-faces of lithium niobate using a continuous wave ultraviolet laser
DOI:10.1063/1.3553194 JN:APPLIED PHYSICS LETTERS PY:2011 TC:10 AU: Steigerwald, H.;Ying, Y. J.;Eason, R. W.;Buse, K.;Mailis, S.;Soergel, E.;
7:2:86:1:4 Ultrafast laser inscription of bistable and reversible waveguides in strontium barium niobate crystals
DOI:10.1063/1.3429584 JN:APPLIED PHYSICS LETTERS PY:2010 TC:4 AU: Jaque, D.;Psaila, N. D.;Thomson, R. R.;Chen, F.;Maestro, L. M.;Rodenas, A.;Reid, D. T.;Kar, A. K.;
7:2:86:2:1 Origin of UV-induced poling inhibition in lithium niobate crystals
DOI:10.1103/PhysRevB.82.214105 JN:PHYSICAL REVIEW B PY:2010 TC:10 AU: Steigerwald, H.;Lilienblum, M.;von Cube, F.;Ying, Y. J.;Eason, R. W.;Mailis, S.;Sturman, B.;Soergel, E.;Buse, K.;
7:2:86:2:2 Pyroelectric field assisted ion migration induced by ultraviolet laser irradiation and its impact on ferroelectric domain inversion in lithium niobate crystals
DOI:10.1063/1.4818828 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Ying, C. Y. J.;Daniell, G. J.;Steigerwald, H.;Soergel, E.;Mailis, S.;
7:2:86:2:3 Ferroelectric domain building blocks for photonic and nonlinear optical microstructures in LiNbO3
DOI:10.1063/1.4868907 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Zisis, G.;Ying, C. Y. J.;Soergel, E.;Mailis, S.;
7:2:86:2:4 Ultraviolet laser-induced poling inhibition produces bulk domains in MgO-doped lithium niobate crystals
DOI:10.1063/1.4895387 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Boes, Andreas;Steigerwald, Hendrik;Yudistira, Didit;Sivan, Vijay;Wade, Scott;Mailis, Sakellaris;Soergel, Elisabeth;Mitchell, Arnan;
7:2:86:3:1 Ellipsometric study of near band gap optical properties of SrxBa1-xNb2O6 crystals
DOI:10.1016/j.optmat.2012.10.050 JN:OPTICAL MATERIALS PY:2013 TC:3 AU: Dorywalski, K.;Andriyevsky, B.;Cobet, C.;Piasecki, M.;Kityk, I. V.;Esser, N.;Lukasiewicz, T.;Patryn, A.;
7:2:86:3:2 Fabrication of Sr0.5Ba0.5Nb2O6 Nanocrystallite-Precipitated Transparent Phosphate Glass-Ceramics
DOI:10.1111/jace.12547 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:0 AU: Masai, Hirokazu;Shirai, Ryota;Miyazaki, Takamichi;Yoshida, Kazuki;Fujiwara, Takumi;Tokuda, Yomei;Yoko, Toshinobu;
7:2:86:3:3 Spectral Ellipsometry Study of SBN Single Crystals in Visible and Ultraviolet Region
DOI:10.1080/00150193.2011.578460 JN:FERROELECTRICS PY:2011 TC:2 AU: Andriyevsky, B.;Dorywalski, K.;Kityk, I.;Piasecki, M.;Lukasiewicz, T.;Swirkowicz, M.;Patryn, A.;Dec, J.;Esser, N.;Cobet, C.;
7:2:86:3:4 Electronic and Optical Properties of Strontium Barium Niobate Single Crystals
DOI:10.1080/00150193.2012.671735 JN:FERROELECTRICS PY:2012 TC:5 AU: Andriyevsky, Bohdan;Patryn, Aleksy;Dorywalski, Krzysztof;Cobet, Christoph;Piasecki, Michal;Kityk, Iwan;Esser, Norbert;Lukasiewicz, Tadeusz;Dec, Jan;
7:2:86:4:1 High temperature oxidation of chromium: Kinetic modeling and microstructural investigation
DOI:10.1016/j.ssi.2013.02.017 JN:SOLID STATE IONICS PY:2013 TC:3 AU: Hallstrom, Samuel;Halvarsson, Mats;Hoglund, Lars;Jonsson, Torbjorn;Agren, John;
7:2:86:4:2 Modeling of iron diffusion in the iron oxides magnetite and hematite with variable stoichiometry
DOI:10.1016/j.actamat.2010.08.032 JN:ACTA MATERIALIA PY:2011 TC:12 AU: Hallstrom, Samuel;Hoglund, Lars;Agren, John;
7:2:87:1 Detection of the magnetic and electric transitions by electron paramagnetic resonance and low-field microwave absorption in the magnetoelectric Pb(Fe0.5Ta0.5)O-3
DOI:10.1016/j.jallcom.2010.08.095 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:9 AU: Alvarez, G.;Montiel, H.;Pena, J. A.;Castellanos, M. A.;Zamorano, R.;
7:2:87:2 Yafet-Kittel-type magnetic ordering in Ni0.35Zn0.65Fe2O4 ferrite detected by magnetosensitive microwave absorption measurements
DOI:10.1016/j.jmmm.2009.09.056 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:16 AU: Alvarez, G.;Montiel, H.;Barron, J. F.;Gutierrez, M. P.;Zamorano, R.;
7:2:87:3 Resonant and non-resonant microwave absorption in the magnetoelectric YCrO3 through ferro-paraelectric transition
DOI:10.1016/j.jallcom.2011.06.064 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:3 AU: Alvarez, G.;Montiel, H.;Cruz, M. P.;Duran, A. C.;Zamorano, R.;
7:2:87:4 Signature of ferro-paraelectric transition in biferroic LuCrO3 from electron paramagnetic resonance and non-resonant microwave absorption
DOI:10.1016/j.matchemphys.2014.09.027 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2014 TC:1 AU: Alvarez, G.;Montiel, H.;Duran, A.;Conde-Gallardo, A.;Zamorano, R.;
7:2:87:5 Magnetic and ferroelectric properties of multiferroic Bi2NiMnO6 nanoparticles
DOI:10.1063/1.3537943 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Du, Y.;Cheng, Z. X.;Wang, X. L.;Liu, P.;Dou, S. X.;
7:2:87:6 Detection of para-antiferromagnetic transition in Bi2Fe4O9 powders by means of microwave absorption measurements
DOI:10.1016/j.jmmm.2013.08.014 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:7 AU: Alvarez, G.;Contreras, J.;Conde-Gallardo, A.;Montiel, H.;Zamorano, R.;
7:2:87:7 Microwave absorption measurements in the complex perovskite Pb(Fe0.5Ta0.5)O-3: Detection of short-range orderly regions
DOI:10.1016/j.matchemphys.2011.07.028 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:3 AU: Alvarez, G.;Montiel, H.;Castellanos, M. A.;Heiras, J.;Zamorano, R.;
7:2:87:8 Influence of SrTiO3 Buffer Layer on the Ferroelectric Properties of Bi2NiMnO6 Thin Film
DOI:10.1080/10584587.2012.737206 JN:INTEGRATED FERROELECTRICS PY:2012 TC:3 AU: Lai, J. L.;Tang, X. G.;Ma, C. B.;Li, R.;Liu, Q. X.;Jiang, Y. P.;
7:2:87:9 Lattice Dynamics and Ferroelectric Properties of SrTiO3 (100) Thin Film in a Nonempirical Model of Polarizable Ions
DOI:10.1080/00150193.2011.577314 JN:FERROELECTRICS PY:2011 TC:1 AU: Zhandun, V. S.;Zinenko, V. I.;
7:2:88:1 Theoretical investigation of {110} generalized stacking faults and their relation to dislocation behavior in perovskite oxides
DOI:10.1016/j.actamat.2010.07.025 JN:ACTA MATERIALIA PY:2010 TC:14 AU: Hirel, P.;Marton, P.;Mrovec, M.;Elsaesser, C.;
7:2:88:2 Atomistic simulation study of < 1 1 0 > dislocations in strontium titanate
DOI:10.1016/j.actamat.2011.09.049 JN:ACTA MATERIALIA PY:2012 TC:8 AU: Hirel, P.;Mrovec, M.;Elsaesser, C.;
7:2:88:3 Dislocation dissociation and stacking-fault energy calculation in strontium titanate
DOI:10.1016/j.scriptamat.2009.11.016 JN:SCRIPTA MATERIALIA PY:2010 TC:8 AU: Castillo-Rodriguez, M.;Sigle, W.;
7:2:88:4 Concurrent atomistic and continuum simulation of strontium titanate
DOI:10.1016/j.actamat.2012.09.032 JN:ACTA MATERIALIA PY:2013 TC:4 AU: Yang, Shengfeng;Xiong, Liming;Deng, Qian;Chen, Youping;
7:2:88:5 A concurrent scheme for passing dislocations from atomistic to continuum domains
DOI:10.1016/j.actamat.2011.11.002 JN:ACTA MATERIALIA PY:2012 TC:12 AU: Xiong, Liming;Deng, Qian;Tucker, Garritt;McDowell, David L.;Chen, Youping;
7:2:88:6 Modelling thermal activation of < 1 1 0 >{110} slip at low temperature in SrTiO3
DOI:10.1016/j.scriptamat.2010.04.045 JN:SCRIPTA MATERIALIA PY:2010 TC:6 AU: Carrez, P.;Ferre, D.;Denoual, C.;Cordier, P.;
7:2:88:7 Atomic core structure and mobility of [100](010) and [010](100) dislocations in MgSiO3 perovskite
DOI:10.1016/j.actamat.2014.07.001 JN:ACTA MATERIALIA PY:2014 TC:0 AU: Hirel, P.;Kraych, A.;Carrez, P.;Cordier, P.;
7:2:88:8 The kink-pair mechanism and low-temperature flow-stress behaviour of strontium titanate single crystals
DOI:10.1016/j.scriptamat.2010.10.014 JN:SCRIPTA MATERIALIA PY:2011 TC:2 AU: Castillo-Rodriguez, M.;Sigle, W.;
7:2:88:9 Stacking faults in an epitaxially grown PbTiO3 thick film and their size distribution
DOI:10.1016/j.mseb.2012.01.013 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2012 TC:0 AU: Aoyagi, Kenta;Kodama, Yumiko;Kiguchi, Takanori;Ehara, Yoshitaka;Funakubo, Hiroshi;Konno, Toyohiko J.;
7:2:88:10 Nucleation and growth of dislocation loops in Cu, Al and Si by a concurrent atomistic-continuum method
DOI:10.1016/j.scriptamat.2012.07.026 JN:SCRIPTA MATERIALIA PY:2012 TC:3 AU: Xiong, Liming;McDowell, David L.;Chen, Youping;
7:2:89:1 First-principles study of A-site substitution in ferroelectric bismuth titanate
DOI:10.1007/s10853-014-8363-4 JN:JOURNAL OF MATERIALS SCIENCE PY:2014 TC:0 AU: Xue, Kan-Hao;Fonseca, Leonardo R. C.;Nishi, Yoshio;
7:2:89:2 Effect of Gd substitution on ferroelectric and magnetic properties of Bi4Ti3O12
DOI:10.1016/j.matlet.2010.02.016 JN:MATERIALS LETTERS PY:2010 TC:10 AU: Khomchenko, V. A.;Kakazei, G. N.;Pogorelov, Y. G.;Araujo, J. P.;Bushinsky, M. V.;Kiselev, D. A.;Kholkin, A. L.;Paixao, J. A.;
7:2:89:3 Multiferroic behavior of Aurivillius Bi4Mn3O12 from first principles
DOI:10.1103/PhysRevB.85.224112 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Tinte, Silvia;Stachiotti, M. G.;
7:2:89:4 Temperature-dependent ferroelectric and dielectric properties of Bi3.25La0.75Ti3O12 thin films
DOI:10.1016/j.apsusc.2009.10.089 JN:APPLIED SURFACE SCIENCE PY:2010 TC:7 AU: Zhang, Shan-Tao;Chen, Zhong;Zhang, Chong;Yuan, Guo-Liang;
7:2:89:5 A comparative study on Bi4Ti3O12 and Bi3.25La0.75Ti3O12 ferroelectric thin films derived by metal organic decomposition
DOI:10.1063/1.3428968 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:6 AU: Xue, Kan-Hao;de Araujo, Carlos A. Paz;Celinska, Jolanta;
7:2:89:6 Influence of the stereochemically active bismuth lone pair structure on ferroelectricity and photocalytic activity of Aurivillius phase Bi2WO6
DOI:10.1103/PhysRevB.83.014103 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Mohn, Chris E.;Stolen, Svein;
7:2:89:7 Leakage current characteristics of Bi3.15Nd0.85Ti3-xZrxO12 thin films
DOI:10.1016/j.matlet.2010.08.043 JN:MATERIALS LETTERS PY:2010 TC:1 AU: Zhong, X. L.;Liao, H.;Hu, Z. S.;Li, B.;Wang, J. B.;
7:2:89:8 Low leakage current in (Bi0.95La0.05)(2)NiMnO6 double-perovskite thin films prepared by chemical solution deposition
DOI:10.1016/j.matlet.2014.01.025 JN:MATERIALS LETTERS PY:2014 TC:0 AU: Li, Wan-peng;Liu, Qiu-xiang;Tang, Xin-gui;Lai, Ju-lan;Jiang, Yan-ping;
7:2:89:9 Investigation on Divalent Metal Substituted Bismuth Titanate Ferroelectric Thin Films
DOI:10.1080/10584587.2011.573714 JN:INTEGRATED FERROELECTRICS PY:2011 TC:0 AU: Xue, Kan-Hao;de Araujo, Carlos A. Paz;Celinska, Jolanta;McWilliams, Christopher;
7:2:89:10 Temperature dependence of ferroelectric and dielectric properties of textured 0.98(0.94Na(0.5)Bi(0.5)TiO(3)-0.06BaTiO(3))-0.02K(0.5)Na(0.5)NbO(3) thick film
DOI:10.1007/s10853-010-4872-y JN:JOURNAL OF MATERIALS SCIENCE PY:2011 TC:1 AU: Fu, Fang;Zhai, Jiwei;Xu, Zhengkui;Ye, Chenggen;Yao, Xi;
7:2:89:11 Conductivity investigations of Aurivillius-type Bi2.5Gd1.5Ti3O12 ceramics
DOI:10.1016/j.ssi.2010.10.027 JN:SOLID STATE IONICS PY:2011 TC:2 AU: Masiukaite, E.;Banys, J.;Sobiestianskas, R.;Ramoska, T.;Khomchenko, V. A.;Kiselev, D. A.;
7:2:89:12 Testing field and annealing temperature dependence of leakage properties in Bi3.25La0.75Ti3O12 thin films
DOI:10.1016/j.tsf.2010.11.021 JN:THIN SOLID FILMS PY:2011 TC:3 AU: Wu, Xiumei;Dong, Shuai;Zhai, Ya;Xu, Mingxiang;Kan, Yi;
7:2:90:1 Enhancement in the multiferroic properties of BiFeO3 by charge compensated aliovalent substitution of Ba and Nb
DOI:10.1063/1.4869081 JN:AIP ADVANCES PY:2014 TC:4 AU: Makhdoom, A. R.;Akhtar, M. J.;Rafiq, M. A.;Siddique, M.;Iqbal, M.;Hasan, M. M.;
7:2:90:2 Tunable magnetization and spin transfer induced by electric field in magnetic ultrathin BiFeO3 layer
DOI:10.1063/1.4823515 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Feng, Hong-Jian;
7:2:90:3 The role of Coulomb and exchange interaction on the Dzyaloshinskii-Moriya interaction (DMI) in BiFeO3
DOI:10.1016/j.jmmm.2009.12.025 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:14 AU: Feng, Hongjian;
7:2:90:4 Magnetism and electronic properties of BiFeO3 under lower pressure
DOI:10.1016/j.jmmm.2010.07.034 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:10 AU: Feng, Hongjian;
7:2:90:5 The reversal of magnetization driven by the Dzyaloshinskii-Moriya interaction in Bi2FeMnO6
DOI:10.1016/j.jmmm.2011.08.005 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:8 AU: Feng, Hong-Jian;
7:2:91:1 Thickness-dependent twinning evolution and ferroelectric behavior of epitaxial BiFeO3 (001) thin films
DOI:10.1103/PhysRevB.82.064108 JN:PHYSICAL REVIEW B PY:2010 TC:13 AU: Liu, Huajun;Yao, Kui;Yang, Ping;Du, Yonghua;He, Qing;Gu, Yueliang;Li, Xiaolong;Wang, Sisheng;Zhou, Xingtai;Wang, John;
7:2:91:2 Preparation and electric properties of BiFeO3 film by electrophoretic deposition
DOI:10.1016/j.jallcom.2014.03.161 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:1 AU: Liu, Kaihua;Cai, Wei;Fu, Chunlin;Lei, Kang;Xiang, Lian;Gong, Xinbo;
7:2:91:3 Ultrathin Oriented BiFeO3 Films from Deposition of Atomic Layers with Greatly Improved Leakage and Ferroelectric Properties
DOI:10.1021/am404498y JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:2 AU: Liu, Yen-Ting;Ku, Ching-Shun;Chiu, Shang-Jui;Lee, Hsin-Yi;Chen, San-Yuan;
7:2:91:4 Hydrothermal epitaxial multiferroic BiFeO3 thick film by addition of the PVA
DOI:10.1016/j.jallcom.2013.04.148 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:5 AU: Si, Hua-Yan;Lu, Wen-lai;Chen, Jing-Sheng;Chow, Gan-Moog;Sun, Xiuguo;Zhao, Jinjin;
7:2:91:5 Low temperature hydrothermal epitaxy of heteroepitaxial BiFeO3 film
DOI:10.1016/j.ceramint.2011.05.018 JN:CERAMICS INTERNATIONAL PY:2012 TC:6 AU: Han, S. H.;Cheon, C. I.;Lee, H-G.;Kang, H-W.;Hwang, H. I.;
7:2:91:6 Preparation and electrical properties of Sm-doped Bi2Ti2O7 thin films prepared on Pt (111) substrates
DOI:10.1016/j.ceramint.2012.07.035 JN:CERAMICS INTERNATIONAL PY:2013 TC:1 AU: Sui, H. T.;Yang, D. M.;Jiang, H.;Ding, Y. L.;Yang, C. H.;
7:2:91:7 Effect of magnetic annealing on magnetization of BiFeO3 ceramics
DOI:10.1016/j.jmmm.2012.03.010 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:3 AU: Luo, Wanju;Zhang, Shuxia;Wang, Dongliang;Ma, Yanwei;Wang, Fangwei;Watanabe, Kazuo;
7:2:91:8 Fabrication and ferroelectric properties of BiFeO3/LaNiO3 artificial superlattice structures grown by radio-frequency magnetron-sputtering
DOI:10.1016/j.tsf.2012.07.073 JN:THIN SOLID FILMS PY:2013 TC:2 AU: Liu, Yen-Ting;Chiu, Shang-Jui;Lee, Hsin-Yi;Chen, San-Yuan;
7:2:91:9 Characteristics of highly orientated BiFeO3 thin films on a LaNiO3-coated Si substrate by RF sputtering
DOI:10.1016/j.tsf.2010.05.003 JN:THIN SOLID FILMS PY:2010 TC:1 AU: Liu, Yen-Ting;Chen, San-Yuan;Lee, Hsin-Yi;
7:2:92:1 Preface to special topic: Piezoresponse force microscopy and nanoscale phenomena in polar materials
DOI:10.1063/1.3625609 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:0 AU: Kalinin, Sergei V.;Kholkin, Andrei L.;
7:2:92:2 Step bunching-induced vertical lattice mismatch and crystallographic tilt in vicinal BiFeO3(001) films
DOI:10.1063/1.3535981 JN:APPLIED PHYSICS LETTERS PY:2011 TC:14 AU: Kim, T. H.;Baek, S. H.;Jang, S. Y.;Yang, S. M.;Chang, S. H.;Song, T. K.;Yoon, J. -G.;Eom, C. B.;Chung, J. -S.;Noh, T. W.;
7:2:92:3 Domain Wall Roughness in Stripe Phase BiFeO3 Thin Films
DOI:10.1103/PhysRevLett.111.247604 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:2 AU: Ziegler, B.;Martens, K.;Giamarchi, T.;Paruch, P.;
7:2:92:4 Domain growth and domain wall roughness along different directions in LiNbO3 single crystal
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7:2:92:5 Anisotropic relaxation and crystallographic tilt in BiFeO3 on miscut SrTiO3 (001)
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7:2:92:6 Thermal-induced domain wall motion of tip-inverted micro/nanodomains in near-stoichiometric LiNbO3 crystals
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7:2:93:1 Lattice, elastic properties and Debye temperatures of ATiO(3) (A = Ba, Ca, Pb, Sr) from first-principles
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7:2:93:2 Structural and thermoelastic properties of CaTiO3 perovskite between 7 K and 400 K
DOI:10.1016/j.jallcom.2011.03.014 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:10 AU: Knight, Kevin S.;
7:2:93:3 Mechanism for suppression of ferroelectricity in Cd1-xCaxTiO3
DOI:10.1103/PhysRevB.84.174106 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Taniguchi, Hiroki;Soon, Hwee Ping;Shimizu, Takao;Moriwake, Hiroki;Shan, Yue Jin;Itoh, Mitsuru;
7:2:93:4 A molecular dynamics study of structural and dynamical correlations of CaTiO3
DOI:10.1016/j.actamat.2010.11.003 JN:ACTA MATERIALIA PY:2011 TC:4 AU: Souza, J. A.;Rino, J. P.;
7:2:93:5 Elastic Properties and Debye Temperature of Zn Doped PbTiO3 from First Principles Calculation
DOI:10.1080/10584587.2014.905154 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Wattanasarn, Hassakorn;Seetawan, Tosawat;
7:2:93:6 Thermomechanical properties of calcium series perovskite-type oxides
DOI:10.1016/j.jallcom.2010.05.088 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:7 AU: Yang, Hongyan;Ohishi, Yuji;Kurosaki, Ken;Muta, Hiroaki;Yamanaka, Shinsuke;
7:2:93:7 The elastic and thermodynamic properties of new antiperovskite-type superconductor CuNNi3 under pressure
DOI:10.1016/j.mssp.2014.06.042 JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING PY:2014 TC:3 AU: Chen, Haichuan;Lei, Xia;Long, Jianping;Huang, Wen;
7:2:93:8 Theoretical investigation of the elastic, Vickers hardness and thermodynamic properties of delta-WN under pressure
DOI:10.1016/j.mssp.2014.08.041 JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING PY:2014 TC:1 AU: Wei, Jin Cheng;Chen, Hai Chuan;Huang, Wen;Long, Jianping;
7:2:93:9 First-principles calculations of lattice dynamics in CdTiO3 and CaTiO3: Phase stability and ferroelectricity
DOI:10.1103/PhysRevB.84.104114 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Moriwake, Hiroki;Kuwabara, Akihide;Fisher, Craig A. J.;Taniguchi, Hiroki;Itoh, Mitsuru;Tanaka, Isao;
7:2:93:10 An interaction potential for barium sulfide: A molecular dynamics study
DOI:10.1016/j.commatsci.2014.05.053 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2014 TC:1 AU: Rino, Jose Pedro;
7:2:93:11 Effect of Ca-Substitution on CdTiO3 Studied by Raman Scattering and First Principles Calculations
DOI:10.1080/00150193.2012.672035 JN:FERROELECTRICS PY:2012 TC:0 AU: Taniguchi, Hiroki;Soon, Hwee Ping;Moriwake, Hiroki;Shan, Yue Jin;Itoh, Mitsuru;
7:2:94:1 BiGaO3-Based Perovskites: A Large Family of Polar Materials
DOI:10.1021/cm301603v JN:CHEMISTRY OF MATERIALS PY:2012 TC:16 AU: Belik, Alexei A.;Rusakov, Dmitriy A.;Furubayashi, Takao;Takayama-Muromachi, Eiji;
7:2:94:2 Phase transition and huge ferroelectric polarization observed in BiFe1-xGaxO3 thin films
DOI:10.1063/1.4809955 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Yan, Jingdan;Gomi, Manabu;Yokota, Takeshi;Song, Huaihe;
7:2:94:3 Electronic structure and optical responses of nanocrystalline BiGaO3 films: A combination study of experiment and theory
DOI:10.1063/1.4867006 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Zhang, J. Z.;Ding, H. C.;Zhu, J. J.;Li, Y. W.;Hu, Z. G.;Duan, C. G.;Meng, X. J.;Chu, J. H.;
7:2:94:4 Electronic structure and lattice dynamics of orthorhombic BiGaO3
DOI:10.1016/j.jallcom.2014.06.025 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:0 AU: Kaczkowski, J.;
7:2:95:1:1 Ferroelectric and ferromagnetic properties of Gd-doped BiFeO3-BaTiO3 solid solution
DOI:10.1016/j.matchemphys.2009.10.011 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2010 TC:25 AU: Rai, Radheshyam;Bdikin, Igor;Valente, Manuel Almeida;Kholkin, Andrei L.;
7:2:95:1:2 Influence of heating rate on the crystalline properties of 0.7BiFeO(3)-0.3PbTiO(3) thin films prepared by sol-gel process
DOI:10.1016/j.apsusc.2010.08.044 JN:APPLIED SURFACE SCIENCE PY:2010 TC:5 AU: Li, Haimin;Zhou, Yuanyuan;Tian, Yunfei;Li, Xuedong;Guo, Hongli;Xiao, Dingquan;Zhu, Jianguo;
7:2:95:1:3 Investigation on ferromagnetic and ferroelectric properties of (La, K)-doped BiFeO3-BaTiO3 solid solution
DOI:10.1016/j.ceramint.2012.10.071 JN:CERAMICS INTERNATIONAL PY:2013 TC:1 AU: Prasatkhetragarn, Anurak;Muangkonkad, Pantip;Aommongkol, Parichart;Jantaratana, Pongsakorn;Vittayakorn, Naratip;Yimnirun, Rattikorn;
7:2:95:1:4 Ferroelectromagnetic characteristic of Na-doped 0.75BiFeO(3)-0.25BaTiO(3) multiferroic ceramics
DOI:10.1016/j.ceramint.2012.10.070 JN:CERAMICS INTERNATIONAL PY:2013 TC:1 AU: Prasatkhetragarn, Anurak;Arthan, Amrnaruta;Jantaratana, Pongsakorn;Vittayakorn, Naratip;Yotburut, Benjaporn;Yimnirun, Rattikorn;
7:2:95:1:5 Ferroelectric and Ferromagnetic Properties of K-doped 0.7BiFeO(3)-0.3BaTiO(3) Multiferroic Ceramics
DOI:10.1080/00150193.2013.839282 JN:FERROELECTRICS PY:2013 TC:0 AU: Prasatkhetragarn, A.;Jantaratana, P.;Vittayakorn, N.;Yotburut, B.;Yimnirun, R.;
7:2:95:1:6 Effect of Temperature on Ferroelectric Properties of Bismuth Ferrite-Barium Titanate
DOI:10.1080/10584587.2013.852027 JN:INTEGRATED FERROELECTRICS PY:2013 TC:0 AU: Sratta, Yuthapong;Chandarak, Sujittra;Unruan, Muangjai;Kantha, Puripat;Marungsri, Boonruang;Yimnirun, Rattikorn;Pojprapai, Soodkhet;
7:2:95:1:7 Multiferroic and relaxor properties of Pb0 7Sr0 3[(Fe2/3Ce1/3)(0 012)Ti-0 988]O-3 and Pb0 7Sr0 3[(Fe2/3La1/3)(0 012)Ti-0 988]O-3 nanoparticles
DOI:10.1016/j.matchemphys.2010.07.075 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2010 TC:1 AU: Verma, Kuldeep Chand;Bhatt, S. S.;Ram, Mast;Negi, N. S.;Kotnala, R. K.;
7:2:95:2:1 Magneto-Dielectric Properties of Epitaxial Ba(Fe0.5Sn0.5)O3-delta Thin Films on (001) SrTiO3 Substrates by Pulsed Laser Deposition
DOI:10.2320/matertrans.M2013429 JN:MATERIALS TRANSACTIONS PY:2014 TC:3 AU: Shinoda, Ryoichi;Iwase, Akihiro;Matsui, Toshiyuki;
7:2:95:2:2 Effect of film thickness on structural and magnetic properties of single crystalline Ba(Fe0.2Zr0.8)O3-delta thin films on (001)SrTiO3 substrates
DOI:10.1063/1.3360208 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Kanatani, H.;Matsui, T.;Hirao, N.;Yamamoto, H.;Baba, Y.;Kume, H.;Iwase, A.;
7:2:95:2:3 Magnetic and structural properties of Ba(Co1-xMnx)O-3 using synchrotron x-ray spectroscopy
DOI:10.1063/1.4904851 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Shinoda, Ryoichi;Iwase, Akihiro;Matsui, Toshiyuki;
7:2:95:2:4 Magnetic Compton scattering studies of magneto-dielectric Ba(Co0.85Mn0.15)O3-delta
DOI:10.1063/1.4799476 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Shinoda, R.;Itou, M.;Sakurai, Y.;Yamamoto, H.;Hirao, N.;Baba, Y.;Iwase, A.;Matsui, T.;
7:2:95:2:5 Effect of Doping for Epitaxial (Ba1-xYbx)(Fe0.2Zr0.8)O3-delta Thin Films with Yb
DOI:10.2320/matertrans.M2014194 JN:MATERIALS TRANSACTIONS PY:2014 TC:1 AU: Shinoda, Ryoichi;Hirao, Norie;Baba, Yuji;Iwase, Akihiro;Matsui, Toshiyuki;
7:2:95:3:1 Influence of GdFeO3 addition on the physical properties of NaKNbO3 lead free ferroelectric ceramics
DOI:10.1016/j.matlet.2011.05.078 JN:MATERIALS LETTERS PY:2011 TC:2 AU: Rai, Radheshyam;Sharma, Seema;Rani, Rashmi;Valente, M. A.;Kholkin, Andrei L.;
7:2:95:3:2 Hardness, isomer shifts and chemical bond properties of rare earth orthoferrites
DOI:10.1016/j.jallcom.2011.03.169 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:1 AU: Hou, Li;Gao, Faming;Gao, Lihua;
7:2:96:1 Dipole spring ferroelectrics in superlattice SrTiO3/BaTiO3 thin films exhibiting constricted hysteresis loops
DOI:10.1063/1.3691172 JN:APPLIED PHYSICS LETTERS PY:2012 TC:8 AU: Wu, Pingping;Ma, Xingqiao;Li, Yulan;Gopalan, Venkatraman;Chen, Long-Qing;
7:2:96:2 Effect of grain boundary on the electromechanical response of ferroelectric polycrystals
DOI:10.1063/1.4752269 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:12 AU: Shu, Weilin;Wang, Jie;Zhang, Tong-Yi;
7:2:96:3 Effect of dislocation walls on the polarization switching of a ferroelectric single crystal
DOI:10.1063/1.4809945 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Wu, H. H.;Wang, J.;Cao, S. G.;Zhang, T. Y.;
7:2:96:4 Domain Wall Motion for Slowly Varying Electric Field
DOI:10.1080/00150193.2013.773852 JN:FERROELECTRICS PY:2013 TC:1 AU: Starkov, A.;Starkov, I.;
7:2:96:5 Oxygen-vacancy-induced memory effect and large recoverable strain in a barium titanate single crystal
DOI:10.1103/PhysRevB.82.064103 JN:PHYSICAL REVIEW B PY:2010 TC:17 AU: Zhang, Yihui;Li, Jiangyu;Fang, Daining;
7:2:96:6 Role of grain orientation distribution in the ferroelectric and ferroelastic domain switching of ferroelectric polycrystals
DOI:10.1016/j.actamat.2013.06.044 JN:ACTA MATERIALIA PY:2013 TC:4 AU: Wang, J.;Shu, W.;Shimada, T.;Kitamura, T.;Zhang, T. -Y.;
7:2:96:7 Domains and Switching in Ferroelectricity
DOI:10.1080/00150193.2012.671672 JN:FERROELECTRICS PY:2012 TC:2 AU: Fridkin, V. M.;
7:2:96:8 Micro-/macro-responses of a ferroelectric single crystal with domain pinning and depinning by dislocations
DOI:10.1063/1.4826532 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Wu, H. H.;Wang, J.;Cao, S. G.;Chen, L. Q.;Zhang, T. Y.;
7:2:96:9 Domain Wall Motion for Slowly Varying Electric Field (Vol 442, pg 1, 2013)
DOI:10.1080/00150193.2013.812860 JN:FERROELECTRICS PY:2013 TC:0 AU: Starkov, A.;Starkov, I.;
7:2:97:1 Non-180 degrees polarization rotation of ferroelectric (Bi0.5Na0.5)TiO3 single crystals under electric field
DOI:10.1103/PhysRevB.89.104104 JN:PHYSICAL REVIEW B PY:2014 TC:2 AU: Kitanaka, Yuuki;Yanai, Ken;Noguchi, Yuji;Miyayama, Masaru;Kagawa, Yutaka;Moriyoshi, Chikako;Kuroiwa, Yoshihiro;
7:2:97:2 Oxygen-vacancy-induced 90 degrees-domain clamping in ferroelectric Bi4Ti3O12 single crystals
DOI:10.1103/PhysRevB.81.094114 JN:PHYSICAL REVIEW B PY:2010 TC:27 AU: Kitanaka, Yuuki;Noguchi, Yuji;Miyayama, Masaru;
7:2:97:3 High-Performance Ferroelectric Bi0.5Na0.5TiO3 Single Crystals Grown by Top-Seeded Solution Growth Method under High-Pressure Oxygen Atmosphere
DOI:10.1080/00150193.2011.577291 JN:FERROELECTRICS PY:2011 TC:8 AU: Kitanaka, Yuuki;Onozuka, Hiroaki;Noguchi, Yuji;Miyayama, Masaru;
7:2:97:4 Oxygen-vacancy effect on structural, magnetic, and ferroelectric properties in multiferroic YMnO3 single crystals
DOI:10.1063/1.3676000 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Chen, D. P.;Du, Y.;Wang, X. L.;Cheng, Z. X.;Dou, S. X.;Lin, Z. W.;Zhu, J. G.;Xu, B.;
7:2:97:5 On preferred Mn site in multiferroic BiFeO3: A view by synchrotron x-ray absorption near edge structure spectroscopy
DOI:10.1063/1.4895474 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Jutimoosik, Jaru;Hunpratub, Sitchai;Maensiri, Santi;Rujirawat, Saroj;Yimnirun, Rattikorn;
7:2:97:6 Electronic and local structures of Mn-doped BiFeO3 crystals
DOI:10.1103/PhysRevB.86.184112 JN:PHYSICAL REVIEW B PY:2012 TC:28 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;Phonon softening and dispersion in EuTiO3;PHYSICAL REVIEW B;86;22;220301;10.1103/PhysRevB.86.220301;DEC 4 2012;2012;We measured phonon dispersion in single-crystal EuTiO3 using inelastic;x-ray scattering. Astructural transition to an antiferrodistortive phase;was found at a critical temperature T-0 = 287 +/- 1K using powder and;single-crystal x-ray diffraction. Clear softening of the zone boundary;R-point q = (0.5 0.5 0.5) acoustic phonon shows this to be a displacive;transition. The mode energy plotted against reduced temperature could be;seen to nearly overlap that of SrTiO3, suggesting a universal scaling;relation. Phonon dispersion was measured along Gamma-X (0 0 0) -> (0.5 0;0). Mode eigenvectors were obtained from a shell model consistent with;the q dependence of intensity and energy, which also showed that the;dispersion is nominally the same as in SrTiO3 at room temperature, but;corrected for mass. The lowest-energy optical mode, determined to be of;Slater character, softens approximately linearly with temperature until;the 70-100 K range where the softening stops, and at low temperature,;the mode disperses linearly near the zone center.;7;0;0;0;7;1098-0121;WOS:000311910600001;;;J;Fock, J.;Leijnse, M.;Jennum, K.;Zyazin, A. S.;Paaske, J.;Hedegard, P.;Nielsen, M. Brondsted;van der Zant, H. S. J.;Manipulation of organic polyradicals in a single-molecule transistor;PHYSICAL REVIEW B;86;23;235403;10.1103/PhysRevB.86.235403;DEC 4 2012;2012;Inspired by cotunneling spectroscopy of spin-states in a single;OPE5-based molecule, we investigate the prospects for electric control;of magnetism in purely organic molecules contacted in a three-terminal;geometry. Using the gate electrode, the molecule is reversibly switched;between three different redox states, with magnetic spectra revealing;both ferromagnetic and antiferromagnetic exchange couplings on the;molecule. These observations are shown to be captured by an effective;low-energy Heisenberg model, which we substantiate microscopically by a;simple valence bond description of the molecule. These preliminary;findings suggest an interesting route towards functionalized all-organic;molecular magnetism.;Fock, Jeppe/A-9074-2011;Fock, Jeppe/0000-0002-7515-4026;3;0;0;0;3;1098-0121;WOS:000311911100003;;;J;Li, P. H. Y.;Bishop, R. F.;Campbell, C. E.;Farnell, D. J. J.;Goetze, O.;Richter, J.;Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice;PHYSICAL REVIEW B;86;21;214403;10.1103/PhysRevB.86.214403;DEC 4 2012;2012;We use the coupled-cluster method to study the zero-temperature;properties of an extended two-dimensional Heisenberg antiferromagnet;formed from spin-1/2 moments on an infinite spatially anisotropic kagome;lattice of corner-sharing isosceles triangles, with nearest-neighbor;bonds only. The bonds have exchange constants J(1) > 0 along two of the;three lattice directions and J(2) = kappa J(1) > 0 along the third. In;the classical limit, the ground-state (GS) phase for kappa < 1/2 has;collinear ferrimagnetic (Neel') order where the J(2)-coupled chain spins;are ferromagnetically ordered in one direction with the remaining spins;aligned in the opposite direction, while for kappa > 1/2 there exists an;infinite GS family of canted ferrimagnetic spin states, which are;energetically degenerate. For the spin-1/2 case, we find that quantum;analogs of both these classical states continue to exist as stable GS;phases in some regions of the anisotropy parameter kappa, namely, for 0;< kappa < kappa(c1) for the Neel' state and for (at least part of) the;region kappa > kappa(c2) for the canted phase. However, they are now;separated by a paramagnetic phase without either sort of magnetic order;in the region kappa(c1) < kappa < kappa(c2), which includes the;isotropic kagome point kappa = 1 where the stable GS phase is now;believed to be a topological (Z(2)) spin liquid. Our best numerical;estimates are kappa(c1) = 0.515 +/- 0.015 and kappa(c2) = 1.82 +/- 0.03.;Richter, Johannes/A-6339-2009; Bishop, Raymond/D-9715-2012;Bishop, Raymond/0000-0001-5565-0658;4;0;0;0;4;1098-0121;WOS:000311910100002;;;J;Monozon, B. S.;Schmelcher, P.;Bound and resonant impurity states in a narrow gapped armchair graphene;nanoribbon;PHYSICAL REVIEW B;86;24;245404;10.1103/PhysRevB.86.245404;DEC 4 2012;2012;An analytical study of discrete and resonant impurity quasi-Coulomb;states in a narrow gapped armchair graphene nanoribbon (GNR) is;performed. We employ the adiabatic approximation assuming that the;motions parallel ("slow") and perpendicular ("fast") to the boundaries;of the ribbon are separated adiabatically. The energy spectrum comprises;a sequence of series of quasi-Rydberg levels relevant to the slow motion;adjacent from the low energies to the size-quantized levels associated;with the fast motion. Only the series attributed to the ground;size-quantized subband is really discrete, while others corresponding to;the excited subbands consist of quasidiscrete (Fano resonant) levels of;nonzero energetic widths, caused by the coupling with the states of the;continuous spectrum branching from the low lying subbands. In the;two-and three-subband approximation the spectrum of the complex energies;of the impurity electron is derived in an explicit form. Narrowing the;GNR leads to an increase of the binding energy and the resonant width;both induced by the finite width of the ribbon. Displacing the impurity;center from the midpoint of the GNR causes the binding energy to;decrease, while the resonant width of the first excited Rydberg series;increases. As for the second excited series, their widths become;narrower with the shift of the impurity. A successful comparison of our;analytical results with those obtained by other theoretical and;experimental methods is presented. Estimates of the binding energies and;the resonant widths taken for the parameters of typical GNRs show that;not only the strictly discrete but also some resonant states are quite;stable and could be studied experimentally in doped GNRs.;Monozon, Boris/E-6412-2012; Schmelcher, Peter/D-9592-2014;Schmelcher, Peter/0000-0002-2637-0937;0;0;0;0;0;1098-0121;WOS:000311911900002;;;J;Thiaville, Andre;Vukadinovic, Nicolas;Acher, Olivier;Sum rule for the magnetic permeability of arbitrary textures;PHYSICAL REVIEW B;86;21;214404;10.1103/PhysRevB.86.214404;DEC 4 2012;2012;The f-sum rule for the magnetic permeability, derived previously for an;assembly of isolated macrospins, is generalized for an arbitrary;nonuniform three-dimensional magnetization texture, in which the;magnetizations at different points are coupled by exchange and;magnetostatic interactions. The sum value depends only on the magnetic;texture at rest. It has no direct contribution from the exchange energy,;but depends on the anisotropy, applied field, and demagnetizing;energies. The derived formula is tested against numerical calculations;for several complex and very different magnetization structures. This;generalized sum rule should be useful for experiments, numerical;simulations, and metrology.;1;0;0;0;1;1098-0121;WOS:000311910100003;;;J;Troc, R.;Gajek, Z.;Pikul, A.;Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as;seen in magnetic, transport, and specific-heat data;PHYSICAL REVIEW B;86;22;224403;10.1103/PhysRevB.86.224403;DEC 4 2012;2012;Single-crystalline UGe2 was investigated by means of magnetic;susceptibility, magnetization, electrical resistivity,;magnetoresistivity, and specific-heat measurements, all carried out in;wide temperature and magnetic-field ranges. An analysis of the obtained;data points out the dual behavior of the 5f electrons in this compound,;i. e., possessing simultaneously local and itinerant characters in two;substates. The magnetic and thermal characteristics of the compound were;modeled using the effective crystal field (CF) in the intermediate;coupling scheme and initial parameters obtained in the angular overlap;model. Various configurations of the localized 5f(n) (n = 1, 2, and 3);electrons on the uranium ion have been probed. The best results were;obtained for the 5f(2) (U4+) configuration. The CF parameters obtained;in the paramagnetic region allowed us to reproduce satisfactorily the;experimental findings in the whole temperature range including also the;magnitude of the ordered magnetic moment of uranium at low temperature.;The electrical resistivity data after subtraction of the phonon;contribution reveal the presence of a Kondo-like interaction in UGe2;supporting the idea of partial localization of the 5f electrons in UGe2.;On the other hand, magnetoresistivity and an excess of specific heat;originated from the hybridized (itinerant) part of 5f states, apparent;around the characteristic temperature T*, give a distinct signature for;the presence of the coupled charge-density wave and spin-density wave;fluctuations over all the ferromagnetic region with a maximum at T*,;postulated earlier in the literature.;7;0;0;0;7;1098-0121;WOS:000311910600004;;;J;Williams, T. J.;Yamani, Z.;Butch, N. P.;Luke, G. M.;Maple, M. B.;Buyers, W. J. L.;Neutron scattering study of URu2-xRexSi2 (x=0.10): Driving order towards;quantum criticality;PHYSICAL REVIEW B;86;23;235104;10.1103/PhysRevB.86.235104;DEC 4 2012;2012;We report inelastic neutron scattering measurements in the hidden order;state of URu2-xRexSi2 with x = 0.10. We observe that towards the;ferromagnetic quantum critical point induced by the negative chemical;pressure of Re doping, the gapped incommensurate fluctuations are robust;and comparable in intensity to the parent material. As the Re doping;moves the system toward the quantum critical point, the commensurate;spin fluctuations related to hidden order weaken, display a shortened;lifetime, and slow down. Halfway to the quantum critical point, the;hidden order phase survives, albeit weakened, in contrast to its;destruction by hydrostatic pressure and by positive chemical pressure;from Rh doping.;yamani, zahra/B-7892-2012; Luke, Graeme/A-9094-2010;0;0;0;0;0;1098-0121;WOS:000311911100001;;;J;Wolfowicz, Gary;Simmons, Stephanie;Tyryshkin, Alexei M.;George, Richard E.;Riemann, Helge;Abrosimov, Nikolai V.;Becker, Peter;Pohl, Hans-Joachim;Lyon, Stephen A.;Thewalt, Mike L. W.;Morton, John J. L.;Decoherence mechanisms of Bi-209 donor electron spins in isotopically;pure Si-28;PHYSICAL REVIEW B;86;24;245301;10.1103/PhysRevB.86.245301;DEC 4 2012;2012;Bismuth (Bi-209) is the deepest group V donor in silicon and possesses;the most extreme characteristics such as a 9/2 nuclear spin and a 1.5;GHz hyperfine coupling. These lead to several potential advantages for a;Si:Bi donor electron spin qubit compared to the more common phosphorus;donor. Most previous studies on Si: Bi have been performed using natural;silicon where linewidths and electron spin coherence times are limited;by the presence of Si-29 impurities. Here, we describe electron spin;resonance (ESR) and electron nuclear double resonance (ENDOR) studies on;Bi-209 in isotopically pure Si-28. ESR and ENDOR linewidths, transition;probabilities, and coherence times are understood in terms of the spin;Hamiltonian parameters showing a dependence on field and m(I) of the;Bi-209 nuclear spin. We explore various decoherence mechanisms;applicable to the donor electron spin, measuring coherence times up to;700 ms at 1.7 K at X band, comparable with Si-28:P. Importantly, the;coherence times we measure follow closely to the calculated field;gradients of the transition frequencies (df/dB), providing a strong;motivation to explore "clock" transitions where coherence lifetimes;could be further enhanced.;Morton, John/I-3515-2013;6;1;0;0;6;1098-0121;WOS:000311911900001;;;J;Armbruster, Oskar;Lungenschmied, Christoph;Bauer, Siegfried;Investigation of trap states and mobility in organic semiconductor;devices by dielectric spectroscopy: Oxygen-doped P3HT:PCBM solar cells;PHYSICAL REVIEW B;86;23;235201;10.1103/PhysRevB.86.235201;DEC 3 2012;2012;We investigate the dielectric response of solar cell devices based on;oxygen-doped poly(3-hexylthiophene):[6,6]-phenyl-C-61-butyric acid;methyl ester (P3HT:PCBM) blends as a function of temperature between 133;K and 303 K. The spectra are analyzed using a recently introduced model;[O. Armbruster, C. Lungenschmied, and S. Bauer, Phys. Rev. B 84, 085208;(2011)] which is based on a trapping and reemission mechanism of charge;carriers. A dominating trap depth of 130 meV is determined and the;broadening of this trap level identified as purely thermal. In addition;we estimate the density of charge carriers after doping as well as their;mobility. We show that the concentration of mobile holes approximately;doubles by heating the device from the lowest to the highest measured;temperature. This is indicative of a second, shallow trap level of;approximately 14 meV. Dielectric spectroscopy hence proves to be a;valuable tool to assess device parameters such as dopant concentration,;charge carrier transport characteristics, and mobility which are of;crucial interest for understanding degradation in organic semiconductor;devices.;Bauer, Siegfried/A-2354-2009; Armbruster, Oskar/G-1154-2014;Armbruster, Oskar/0000-0002-4235-4451;3;0;0;0;3;1098-0121;WOS:000311806300004;;;J;Chen, Bo;Abbey, Brian;Dilanian, Ruben;Balaur, Eugeniu;van Riessen, Grant;Junker, Mark;Tran, Chanh Q.;Jones, Michael W. M.;Peele, Andrew G.;McNulty, Ian;Vine, David J.;Putkunz, Corey T.;Quiney, Harry M.;Nugent, Keith A.;Diffraction imaging: The limits of partial coherence;PHYSICAL REVIEW B;86;23;235401;10.1103/PhysRevB.86.235401;DEC 3 2012;2012;Coherent diffraction imaging (CDI) typically requires that the source;should be highly coherent both laterally and longitudinally. In this;paper, we demonstrate that lateral and longitudinal partial coherence;can be successfully included in a CDI reconstruction algorithm;simultaneously using experimental x-ray data. We study the interplay;between lateral partial coherence and longitudinal partial coherence and;their relative influence on CDI. We compare our results against the;coherence criteria published by Spence et al. [Spence et al.,;Ultramicroscopy 101, 149 (2004)] and show that for iterative ab initio;phase-recovery algorithms based on those typically used in CDI and in;cases where the coherence properties are known, we are able to relax the;minimal coherence requirements by a factor of 2 both laterally and;longitudinally, potentially yielding significant reduction in exposure;time.;Jones, Michael/M-6895-2013; Abbey, Brian/D-3274-2011;Jones, Michael/0000-0002-0720-8715;;5;1;0;0;5;1098-0121;WOS:000311806300008;;;J;Gawarecki, Krzysztof;Lueker, Sebastian;Reiter, Doris E.;Kuhn, Tilmann;Glaessl, Martin;Axt, Vollrath Martin;Grodecka-Grad, Anna;Machnikowski, Pawel;Dephasing in the adiabatic rapid passage in quantum dots: Role of;phonon-assisted biexciton generation;PHYSICAL REVIEW B;86;23;235301;10.1103/PhysRevB.86.235301;DEC 3 2012;2012;We study the evolution of an exciton confined in a quantum dot;adiabatically controlled by a frequency-swept (chirped) laser pulse in;the presence of carrier-phonon coupling. We focus on the dynamics;induced by a linearly polarized beam and analyze the decoherence due to;phonon-assisted biexciton generation. We show that if the biexciton;state is shifted down by a few meV, as is typically the case, then the;resulting decoherence is strong even at low temperatures. As a result,;efficient state preparation is restricted to a small parameter area;corresponding to low temperatures, positive chirps, and moderate pulse;areas.;Kuhn, Tilmann/C-1190-2008;6;0;0;0;6;1098-0121;WOS:000311806300006;;;J;Hellstrom, Matti;Spangberg, Daniel;Hermansson, Kersti;Broqvist, Peter;Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface;PHYSICAL REVIEW B;86;23;235302;10.1103/PhysRevB.86.235302;DEC 3 2012;2012;The formation of Cu dimers on the ZnO(10 (1) over bar0) surface has been;studied using hybrid density functional theory. Depending on the;adsorption site, Cu atoms are found to adsorb with either oxidation;state 0 or +1. In the latter case, the Cu atom has donated an electron;to the ZnO conduction band. The two modes of adsorption display similar;stability at low coverages, while at higher coverages the neutral;species is more stable. Single Cu atoms diffuse across the ZnO(10 (1);over bar0) surface with small barriers of migration (0.3-0.4 eV) along;ZnO[1 (2) over bar 10], repeatedly switching their oxidation states,;while the barrier along ZnO[0001] is significantly higher (>1.5 eV). The;formation of a Cu dimer from two adsorbed Cu atoms is energetically;favorable with two competing structures of similar stability, both being;charge neutral. The minimum energy paths for Cu atom diffusion and dimer;formation are characterized by at least one of the two Cu atoms being in;oxidation state 0.;5;0;0;0;5;1098-0121;WOS:000311806300007;;;J;Huang, Yu-Kun;Chen, Pochung;Kao, Ying-Jer;Accurate computation of low-temperature thermodynamics for quantum spin;chains;PHYSICAL REVIEW B;86;23;235102;10.1103/PhysRevB.86.235102;DEC 3 2012;2012;We apply the biorthonormal transfer-matrix renormalization group (BTMRG);[Huang, Phys. Rev. E 83, 036702 (2011)] to study low-temperature;properties of quantum spin chains. Simulations on anisotropic Heisenberg;spin-1/2 chains demonstrate that the BTMRG outperforms the conventional;transfer-matrix renormalization group by successfully accessing far;lower temperature than previously reported, while retaining the same;level of accuracy. The power of the method is further illustrated by the;calculation of the low-temperature specific heat for a frustrated spin;chain.;Kao, Ying Jer/B-5297-2009; Chen, Pochung/G-1241-2010;Kao, Ying Jer/0000-0002-3329-6018;;4;0;0;0;4;1098-0121;WOS:000311806300002;;;J;Kim, Jin Hee;Rhyee, Jong-Soo;Kwon, Yong Seung;Magnon gap formation and charge density wave effect on thermoelectric;properties in the SmNiC2 compound;PHYSICAL REVIEW B;86;23;235101;10.1103/PhysRevB.86.235101;DEC 3 2012;2012;We studied the electrical, thermal, and thermoelectric properties of the;polycrystalline compound of SmNiC2. The electrical resistivity and;magnetization measurement show the interplay between the charge density;wave at T-CDW = 150 K and the ferromagnetic ordering of T-c = 18 K.;Below the ferromagnetic transition temperature, we observed the magnon;gap formation of Delta similar or equal to 4.3- 4.4 meV by rho(T) and;C-p (T) measurements. The charge density wave is attributed to the;increase of the Seebeck coefficient resulting in the increase of the;power factor S-2 sigma. The thermal conductivity anomalously increases;with increasing temperature along the whole measured temperature range,;which implies the weak attribution of Umklapp phonon scattering. The;thermoelectric figure of merit ZT significantly increases due to the;increase of the power factor at T-CDW = 150 K. Here we argue that the;competing interaction between electron-phonon and electron-magnon;couplings exhibits the unconventional behavior of electrical and thermal;properties.;6;0;1;0;6;1098-0121;WOS:000311806300001;;;J;Osorio-Guillen, J. M.;Larrauri-Pizarro, Y. D.;Dalpian, G. M.;Pressure-induced metal-insulator transition and absence of magnetic;order in FeGa3 from a first-principles study;PHYSICAL REVIEW B;86;23;235202;10.1103/PhysRevB.86.235202;DEC 3 2012;2012;The intermetallic compound FeGa3 is a narrow-gap semiconductor with a;measured gap between 0.2 and 0.6 eV. The presence of iron d states on;the top of the valence band and on the bottom of the conduction band,;together with its moderate electronic correlation (U/W similar to 0.6),;have led to the question of whether there is magnetic order in this;compound. We have examined the possible presence of magnetism in FeGa3;as well as its electronic structure at high pressures, using the density;functional theory (DFT) + U method with the intermediated;double-counting scheme. We have found that for an optimized value of the;Yukawa screening length., there is no magnetic moment on the iron ions;(mu = 0), implying that FeGa3 is nonmagnetic. We have also found that;around a pressure of 25 GPa a metal-insulator transition takes place.;Osorio-Guillen, Jorge/B-7587-2008; Dalpian, Gustavo/B-9746-2008;Osorio-Guillen, Jorge/0000-0002-7384-8999;;3;0;0;0;3;1098-0121;WOS:000311806300005;;;J;Yuan, Xun;Zhang, Yubo;Abtew, Tesfaye A.;Zhang, Peihong;Zhang, Wenqing;VO2: Orbital competition, magnetism, and phase stability;PHYSICAL REVIEW B;86;23;235103;10.1103/PhysRevB.86.235103;DEC 3 2012;2012;The relative phase stability of VO2 is one of the most fundamental;issues concerning the metal-insulator transition in this material but;has been so far largely unexplored theoretically. We investigate the;relative stability of various phases of VO2 using different levels of;energy functionals within density functional theory (DFT). It is found;that straightforward applications of several popular energy functionals,;including the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, result in;a wrong prediction for the ground state of VO2. In particular, although;the HSE and DFT + U methods are able to produce a band gap in the M-1;phase, they strongly favor the formation of local magnetic moments, a;result that clearly disagrees with experiments. We also examine the;effect of the occupation and the redistribution of the d derived t(2g);(i.e., d(xz), d(yz), and d(x2-y2)) orbitals of V atoms on the calculated;relative phase stability of VO2. We find that a small change in d;occupation can result in a drastically different theoretical prediction.;With the introduction of an orbital-dependent potential, a complete;separation between the d(x2-y2) derived valence band and d(xz) and d(yz);derived conduction bands in the M-1 phase is achieved, resulting in a;slight redistribution of the d occupation and a more faithful account of;the polarization of the t(2g) orbitals. This slight rearrangement of the;d occupation also leads to a relative phase stability of VO2 ( including;structural and magnetic phases) that agrees well with experiment.;Zhang, Wenqing/K-1236-2012; Zhang, Peihong/D-2787-2012;4;0;0;0;4;1098-0121;WOS:000311806300003;;;J;Campi, Davide;Bernasconi, Marco;Benedek, Giorgio;Electronic properties and lattice dynamics of the As(111) surface;PHYSICAL REVIEW B;86;24;245403;10.1103/PhysRevB.86.245403;DEC 3 2012;2012;The bulk and surface electronic and structural properties of As(111);have been studied with first-principles methods. The inclusion of;spin-orbit interaction reveals that As shares the same topologically;nontrivial order of the bulk electronic bands of Sb which gives rise to;two spin-polarized surface states connecting valence-like and;conduction-like states. Bulk and surface phonons have been calculated by;means of density functional perturbation theory. The surface phonon;bands reveal features related to a remarkable stiffening of the surface;bilayer with respect to the bulk ones similarly to what is measured for;the Bi(111) and to what is expected for the Sb(111) surface.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000311806500003;;;J;Chakraborty, Akash;Wenk, Paul;Bouzerar, Richard;Bouzerar, Georges;Spontaneous magnetization in the presence of nanoscale inhomogeneities;in diluted magnetic systems;PHYSICAL REVIEW B;86;21;214402;10.1103/PhysRevB.86.214402;DEC 3 2012;2012;The presence of nanoscale inhomogeneities has been experimentally;evidenced in several diluted magnetic systems, which in turn often leads;to interesting physical phenomena. However, a proper theoretical;understanding of the underlying physics is lacking in most of the cases.;Here, we present a detailed and comprehensive theoretical study of the;effects of nanoscale inhomogeneities on the temperature-dependent;spontaneous magnetization in diluted magnetic systems, which is found to;exhibit an unusual and unconventional behavior. The effects of impurity;clustering on the magnetization response have hardly been studied until;now. We show that nanosized clusters of magnetic impurities can lead to;drastic effects on the magnetization compared to that of homogeneously;diluted compounds. The anomalous nature of the magnetization curves;strongly depends on the relative concentration of the inhomogeneities as;well as the effective range of the exchange interactions. In addition,;we also provide a systematic discussion of the nature of the;distributions of the local magnetizations.;3;0;0;0;3;1098-0121;WOS:000311805500004;;;J;Dmitriev, A. P.;Gornyi, I. V.;Polyakov, D. G.;Coulomb drag between ballistic quantum wires;PHYSICAL REVIEW B;86;24;245402;10.1103/PhysRevB.86.245402;DEC 3 2012;2012;We develop a kinetic equation description of Coulomb drag between;ballistic one-dimensional electron systems, which enables us to;demonstrate that equilibration processes between right- and left-moving;electrons are crucially important for establishing dc drag. In;one-dimensional geometry, this type of equilibration requires either;backscattering near the Fermi level or scattering with small-momentum;transfer near the bottom of the electron spectrum. Importantly, pairwise;forward scattering in the vicinity of the Fermi surface alone is not;sufficient to produce a nonzero dc drag resistivity rho(D), in contrast;to a number of works that have studied Coulomb drag due to this;mechanism of scattering before. We show that slow equilibration between;two subsystems of electrons of opposite chirality, "bottlenecked" by;inelastic collisions involving cold electrons near the bottom of the;conduction band, leads to a strong suppression of Coulomb drag, which;results in an activation dependence of rho(D) on temperature, instead of;the conventional power law. We demonstrate the emergence of a drag;regime in which rho(D) does not depend on the strength of interwire;interactions, while depending strongly on the strength of interactions;inside the wires.;4;0;0;0;4;1098-0121;WOS:000311806500002;;;J;Etz, Corina;Costa, Marcio;Eriksson, Olle;Bergman, Anders;Accelerating the switching of magnetic nanoclusters by anisotropy-driven;magnetization dynamics;PHYSICAL REVIEW B;86;22;224401;10.1103/PhysRevB.86.224401;DEC 3 2012;2012;In this work, the magnetization dynamics of clusters supported on;nonmagnetic substrates is shown to exhibit a complex response when;subjected to external magnetic fields. The field-driven magnetization;reversal of small Co clusters deposited on a Cu(111) surface has been;studied by means of first-principles calculations and atomistic spin;dynamics simulations. For applied fields ranging from 1 to 10 Tesla, we;observe a coherent magnetization reversal with switching times in the;range of several tenths of picoseconds to several nanoseconds, depending;on the field strength. We find a nonmonotonous dependence of the;switching times with respect to the strength of the applied field, which;we prove has its origin in the complex magnetic anisotropy landscape of;these low-dimensional systems. This effect is shown to be stable for;temperatures around 10 K, and is possible to realize over a range of;exchange interactions and anisotropy landscapes. Possible experimental;routes to achieve this unique switching behavior are discussed.;Bergman, Anders/H-7996-2012; Etz, Corina/E-3112-2014; Eriksson, Olle/E-3265-2014;Bergman, Anders/0000-0002-5134-1978;;3;1;0;0;3;1098-0121;WOS:000311805700003;;;J;Harada, S.;Zhou, J. J.;Yao, Y. G.;Inada, Y.;Zheng, Guo-qing;Abrupt enhancement of noncentrosymmetry and appearance of a spin-triplet;superconducting state in Li-2(Pd1-xPtx)(3)B beyond x=0.8;PHYSICAL REVIEW B;86;22;220502;10.1103/PhysRevB.86.220502;DEC 3 2012;2012;We report synthesis, Pt-195, B-11, and Li-7 NMR measurements, and;first-principles band calculations for noncentrosymmetric;superconductors Li-2(Pd1-xPtx)(3)B (x = 0, 0.2, 0.5, 0.8, 0.84, 0.9, and;1). For 0 <= x <= 0.8, the spin-lattice relaxation rate 1/T-1 shows a;clear coherence peak just below T-c, decreasing exponentially at low;temperature, and the Knight shift K-195 decreases below Tc. For x = 0.9;and 1.0, in contrast, 1/T-1 shows no coherence peak but a T-3 variation;and K-195 remains unchanged across T-c. These results indicate that the;superconducting state changes drastically from a spin-singlet dominant;to a spin-triplet dominant state at x = 0.8. We find that the distortion;of B(Pt,Pd)(6) increases abruptly above x = 0.8, which leads to an;abrupt enhancement of the asymmetric spin-orbit coupling as confirmed by;band calculation. Such structure distortion that enhances the extent of;inversion-symmetry breaking is primarily responsible for the pairing;symmetry evolution. The insight obtained here provides a guideline for;searching for noncentrosymmetric superconductors with a large;spin-triplet component.;Yao, Yugui/A-8411-2012; Zheng, Guo-qing/B-1524-2011;6;0;0;0;6;1098-0121;WOS:000311805700002;;;J;Huang, C. L.;Fritsch, V.;Kittler, W.;v. Loehneysen, H.;Low-temperature properties of CeAu2Ge2 single crystals grown from Au-Ge;and Sn flux;PHYSICAL REVIEW B;86;21;214401;10.1103/PhysRevB.86.214401;DEC 3 2012;2012;The specific heat of CeAu2Ge2 single crystals grown from Au-Ge (AGF) or;Sn flux (SF) was measured at temperatures T between 1.8 and 200 K. Two;magnetic transitions are observed in the zero-field specific heat at;12.1 and 14.5 K in the AGF sample, while only a single sharp transition;at 9.2 K is seen in the SF sample, confirming our recent susceptibility;results [Fritsch et al., Phys. Rev. B 84, 104446 (2011)]. We observe;several field-induced transitions in the magnetoresistance of the AGF;sample measured at 1.6 and 2.3 K in accordance with the B-T phase;diagram constructed from isothermal magnetization curves M(B). In;addition, we have measured M(B) under hydrostatic pressure P up to 10.5;kbar. The Neel temperature T-N increases linearly with P at a small rate;of 0.049 K/kbar, which suggests that, if T-N(P) is attributed to a pure;volume effect, this compound is close to the maximum transition;temperature of the Doniach diagram. The transition fields B-M between;the field-induced phases increase linearly with P as well. The;comparable Gruneisen parameters of T-N and B-M indicate that the energy;scale depending on the sample's volume is given by the antiferromagnetic;correlations and not by the Kondo effect. We discuss possible reasons;for the different magnetic behavior of AGF and SF samples.;Huang, Chien-Lung/O-2028-2013;2;0;0;0;2;1098-0121;WOS:000311805500003;;;J;Jadczak, J.;Kubisa, M.;Ryczko, K.;Bryja, L.;Potemski, M.;High magnetic field spin splitting of excitons in asymmetric GaAs;quantum wells;PHYSICAL REVIEW B;86;24;245401;10.1103/PhysRevB.86.245401;DEC 3 2012;2012;Low-temperature photoluminescence from high-quality GaAs quantum wells,;asymmetrically doped with carbon, are investigated under high magnetic;fields (up to 20 T) directed along the [001] growth axis. At higher;fields, in the sigma(-) polarized emission, we observe two well-resolved;lines which are attributed to the recombination of neutral (X) and;charged (X+) excitons. In contrast, only the neutral exciton line is;observed for the sigma(+) polarization. From the difference of the X;line positions for the two polarizations we determine the effective;Zeeman splitting of neutral excitons and then the g factor g(h) of;confined holes. We find that g(h) depends substantially on the well size;and changes the sign at moderate magnetic fields. To explain the;experimental results, the valence Landau levels are calculated using the;Luttinger model beyond the axial approximation. We demonstrate that;mainly the excited hole levels contribute to the excitonic state at;higher magnetic fields. Due to their light-hole character, resulting;from the valence-band mixing, the excited hole states have a sizable;overlap with the electron states confined far from the doped barrier.;The calculated values of g(h) are in an excellent quantitative agreement;with the experimental data.;2;0;0;0;2;1098-0121;WOS:000311806500001;;;J;Lane, Nina J.;Vogel, Sven C.;Hug, Gilles;Togo, Atsushi;Chaput, Laurent;Hultman, Lars;Barsoum, Michel W.;Neutron diffraction measurements and first-principles study of thermal;motion of atoms in select M(n+1)AX(n) and binary MX transition-metal;carbide phases;PHYSICAL REVIEW B;86;21;214301;10.1103/PhysRevB.86.214301;DEC 3 2012;2012;Herein, we compare the thermal vibrations of atoms in select ternary;carbides with the formula M(n+1)AX(n) ("MAX phases," M = Ti, Cr; A = Al,;Si, Ge; X = C, N) as determined from first-principles phonon;calculations to those obtained from high-temperature neutron powder;diffraction studies. The transition metal carbides TiC, TaC, and WC are;also studied to test our methodology on simpler carbides. Good;qualitative and quantitative agreement is found between predicted and;experimental values for the binary carbides. For all the MAX phases;studied-Ti3SiC2, Ti3GeC2, Ti2AlN, Cr2GeC and Ti4AlN3-density functional;theory calculations predict that the A element vibrates with the highest;amplitude and does so anisotropically with a higher amplitude within the;basal plane, which is in line with earlier results from high-temperature;neutron diffraction studies. In some cases, there are quantitative;differences in the absolute values between the theoretical and;experimental atomic displacement parameters (ADPs), such as reversal of;anisotropy or a systematic offset of temperature-dependent ADPs. The;mode-dependent Gruneisen parameters are also computed to explore the;anharmonicity in the system.;Lujan Center, LANL/G-4896-2012;4;0;0;0;4;1098-0121;WOS:000311805500002;;;J;Niemann, R.;Baro, J.;Heczko, O.;Schultz, L.;Faehler, S.;Vives, E.;Manosa, L.;Planes, A.;Tuning avalanche criticality: Acoustic emission during the martensitic;transformation of a compressed Ni-Mn-Ga single crystal;PHYSICAL REVIEW B;86;21;214101;10.1103/PhysRevB.86.214101;DEC 3 2012;2012;The propagation of a phase front during a thermally induced martensitic;transition is discontinuous due to pinning at various defects, an effect;which results in acoustic emission. Here we analyze the consequences of;an applied compressive stress exemplarily on a Ni50.4Mn27.9Ga21.7 single;crystal. Our experiments show that the distribution of the energies of;the acoustic emission events follows a power law for more than three;decades. This indicates that the transition exhibits avalanche;criticality. The exponent characterizing the distribution of energies;depends on the applied stress, and decreases from 1.9 +/- 0.1 at zero;stress to 1.5 +/- 0.2 at stress above 3 MPa. This decrease could be;attributed to the reduced multiplicity of variants possible under;uniaxial compression.;Niemann, Robert/F-3634-2012; Schultz, Ludwig/B-3383-2010; Manosa, Lluis/D-8579-2014; Heczko, Oleg/G-9355-2014; Vives, Eduard/I-4821-2014;Manosa, Lluis/0000-0002-1182-2670; Vives, Eduard/0000-0002-5916-7214;4;0;0;0;4;1098-0121;WOS:000311805500001;;;J;Usui, Hidetomo;Suzuki, Katsuhiro;Kuroki, Kazuhiko;Minimal electronic models for superconducting BiS2 layers;PHYSICAL REVIEW B;86;22;220501;10.1103/PhysRevB.86.220501;DEC 3 2012;2012;We construct minimal electronic models for a newly discovered;superconductor LaO1-xFxBiS2 (T-c = 10.6 K) possessing BiS2 layers based;on a first-principles band calculation. First, we obtain a model;consisting of two Bi 6p and two S 3p orbitals, which give nearly;electron-hole symmetric bands. Further focusing on the bands that;intersect the Fermi level, we obtain a model with two p orbitals. The;two bands (per BiS2 layer) have a quasi-one-dimensional character with a;double minimum dispersion, which gives good nesting of the Fermi;surface. At around x similar to 0.5 the topology of the Fermi surface;changes, so that the density of states at the Fermi level becomes large.;Possible pairing states are discussed.;42;0;0;0;42;1098-0121;WOS:000311805700001;;;J;Cammarata, Antonio;Rondinelli, James M.;Spin-assisted covalent bond mechanism in "charge-ordering" perovskite;oxides;PHYSICAL REVIEW B;86;19;195144;10.1103/PhysRevB.86.195144;NOV 30 2012;2012;First-principles density functional calculations on the metal-insulator;transition (MIT) in perovskite CaFeO3 point to local ferromagnetic;coupling as the microscopic origin for the electronic "charge order";transition. Our atomic, electronic, and magnetic structure analyses;reveal that the MIT results from a spin-assisted covalent bonding;mechanism between the O 2p and Fe 3d states with anisotropic Fe-O bonds;and negligible intersite Fe-Fe charge transfer. We suggest that control;of the lattice distortions, which mediate the covalent bond formation,;in oxides containing late transition-metal row cations in high valence;states provides a platform to tailor electronic transitions.;Rondinelli, James/A-2071-2009; Cammarata, Antonio/A-4883-2014;Rondinelli, James/0000-0003-0508-2175; Cammarata,;Antonio/0000-0002-5691-0682;7;0;0;0;7;1098-0121;WOS:000311715000003;;;J;Clem, John R.;Kogan, V. G.;Kinetic impedance and depairing in thin and narrow superconducting films;PHYSICAL REVIEW B;86;17;174521;10.1103/PhysRevB.86.174521;NOV 30 2012;2012;We use both Eilenberger-Usadel and Ginzburg-Landau (GL) theory to;calculate the superfluid's temperature-dependent kinetic inductance for;all currents up to the depairing current in thin and narrow;superconducting films. The calculations apply to BCS weak-coupling;superconductors with isotropic gaps and transport mean-free paths much;less than the BCS coherence length. The kinetic inductance is calculated;for the response to a small alternating current when the film is;carrying a dc bias current. In the slow-experiment/fast-relaxation;limit, in which the superconducting order parameter quasistatically;follows the time-dependent current, the kinetic inductance diverges as;the bias current approaches the depairing value. However, in the;fast-experiment/slow-relaxiation limit, in which the the superconducting;order parameter remains fixed at a value corresponding to the dc bias;current, the kinetic inductance rises to a finite value at the depairing;current. We then use time-dependent GL theory to calculate the kinetic;impedance of the superfluid, which includes not only the kinetic;reactance, but also the kinetic resistance of the superfluid arising;from dissipation due to order-parameter relaxation. The kinetic;resistance is largest for angular frequencies omega obeying omega tau(s);> 1, where tau(s) is the order-parameter relaxation time, and for bias;currents close to the depairing current. We also include the normal;fluid's contribution to dissipation in deriving an expression for the;total kinetic impedance. The Appendices contain many details about the;temperature-dependent behavior of superconductors carrying current up to;the depairing value.;3;0;0;0;3;1098-0121;WOS:000311714600005;;;J;Cohn, J. L.;Boynton, P.;Trivino, J. S.;Trastoy, J.;White, B. D.;dos Santos, C. A. M.;Neumeier, J. J.;Stoichiometry, structure, and transport in the quasi-one-dimensional;metal Li0.9Mo6O17;PHYSICAL REVIEW B;86;19;195143;10.1103/PhysRevB.86.195143;NOV 30 2012;2012;A correlation between lattice parameters, oxygen composition, and the;thermoelectric and Hall coefficients is presented for single-crystal;Li0.9Mo6O17, a quasi-one-dimensional (Q1D) metallic compound. The;possibility that this compound is a compensated metal is discussed in;light of a substantial variability observed in the literature for these;transport coefficients.;1;0;0;0;1;1098-0121;WOS:000311715000002;;;J;Crepaldi, A.;Ressel, B.;Cilento, F.;Zacchigna, M.;Grazioli, C.;Berger, H.;Bugnon, Ph.;Kern, K.;Grioni, M.;Parmigiani, F.;Ultrafast photodoping and effective Fermi-Dirac distribution of the;Dirac particles in Bi2Se3;PHYSICAL REVIEW B;86;20;205133;10.1103/PhysRevB.86.205133;NOV 30 2012;2012;We exploit time- and angle-resolved photoemission spectroscopy to;determine the evolution of the out-of-equilibrium electronic structure;of the topological insulator Bi2Se3. The response of the Fermi-Dirac;distribution to ultrashort IR laser pulses has been studied by modeling;the dynamics of hot electrons after optical excitation. We disentangle a;large increase in the effective temperature (T*) from a shift of the;chemical potential (mu*), which is consequence of the ultrafast;photodoping of the conduction band. The relaxation dynamics of T* and;mu* are k independent and these two quantities uniquely define the;evolution of the excited charge population. We observe that the energy;dependence of the nonequilibrium charge population is solely determined;by the analytical form of the effective Fermi-Dirac distribution.;14;1;0;0;14;1098-0121;WOS:000311715100007;;;J;Dumlich, Heiko;Reich, Stephanie;Nanotube bundles and tube-tube orientation: A van der Waals density;functional study (vol 84, 064121, 2011);PHYSICAL REVIEW B;86;17;179905;10.1103/PhysRevB.86.179905;NOV 30 2012;2012;0;0;0;0;0;1098-0121;WOS:000311714600007;;;J;Fukutani, Keisuke;Hayashi, Hirokazu;Yakovkin, Ivan N.;Habuchi, Takafumi;Hirayama, Daisuke;Jiang, Jian;Iwasawa, Hideaki;Shimada, Kenya;Losovyj, Ya. B.;Dowben, Peter A.;Enhanced electron-phonon coupling at the Au/Mo(112) surface;PHYSICAL REVIEW B;86;20;205432;10.1103/PhysRevB.86.205432;NOV 30 2012;2012;A detailed investigation of the electronic structure and electron-phonon;coupling for a Au monolayer on the Mo(112) surface is presented. The;electronic states of bulk Mo and the (112) surface-derived states are;seen to strongly hybridize with those of the Au overlayer, resulting in;the formation of surface resonance states localized near the surface and;the interface of Au/Mo(112). The experimentally extracted self-energy;due to the electron-phonon coupling on one of the surface resonance;bands gives a good quantitative agreement with the calculations. The;strength of electron-phonon coupling for Au/Mo(112) is discussed in;terms of the mass enhancement factor and is considerably larger than for;the Mo(112) surface. Such an increase in the mass enhancement factor in;the vicinity of the Fermi level likely derives from the soft surface;phonon modes created upon Au adsorption.;2;0;0;0;2;1098-0121;WOS:000311715100011;;;J;Hamada, Ikutaro;Adsorption of water on graphene: A van der Waals density functional;study;PHYSICAL REVIEW B;86;19;195436;10.1103/PhysRevB.86.195436;NOV 30 2012;2012;The van der Waals density functional (vdW-DF) was used to investigate;the interaction of a water monomer with graphene. It was found that a;variant of vdW-DF [Hamada and Otani, Phys. Rev. B 82, 153412 (2010)];predicts geometries and energetics of water on graphene which are in;good agreement with those obtained using more elaborate random-phase;approximation and quantum Monte Carlo approaches. Interfacial electronic;structures were also analyzed in detail.;Hamada, Ikutaro/E-8040-2010;Hamada, Ikutaro/0000-0001-5112-2452;12;1;0;0;12;1098-0121;WOS:000311715000010;;;J;Hofmann, D.;Kuemmel, S.;Integer particle preference during charge transfer in Kohn-Sham theory;PHYSICAL REVIEW B;86;20;201109;10.1103/PhysRevB.86.201109;NOV 30 2012;2012;We investigate the static and dynamic charge transfer that is triggered;by external electric fields in model molecular wires. A self-interaction;correction in Kohn-Sham density functional theory leads to the desired;integer electron transfers that do not occur with standard functionals;which miss Coulomb blockade effects. Analysis of the multiplicative;exchange-correlation potential in stationary cases and during real-time;propagation shows how the local exchange-correlation potential builds up;step and reverse-step structures that enforce the integer particle;preference. The role of spin-symmetry breaking is discussed.;Kummel, Stephan/K-5634-2014;8;0;0;0;8;1098-0121;WOS:000311715100002;;;J;Illg, Christian;Meyer, Bernd;Faehnle, Manfred;Frequencies and polarization vectors of phonons: Results from force;constants which are fitted to experimental data or calculated ab initio;PHYSICAL REVIEW B;86;17;174309;10.1103/PhysRevB.86.174309;NOV 30 2012;2012;The properties of phonons may be calculated from the dynamical matrix;which is determined by force constants. Often the force constants are;obtained by fitting them to experimental phonon frequencies, e. g., for;wave vectors q on high-symmetry directions of the Brillouin zone. It is;well known that these force constants do not necessarily lead to correct;frequencies for wave vectors for nonsymmetrical q and to correct;polarization vectors. In the present paper this is demonstrated by;comparing for fcc Ni, fcc Al, and bcc Fe the frequencies and;polarization vectors calculated from fitted force constants with the;results from ab initio calculated force constants. However, for most;regions of the Brillouin zone the differences between the results;obtained from the two sets of force constants are not large.;1;0;0;0;1;1098-0121;WOS:000311714600003;;;J;Iori, Federico;Rodolakis, Fanny;Gatti, Matteo;Reining, Lucia;Upton, M.;Shvyd'ko, Y.;Rueff, Jean-Pascal;Marsi, Marino;Low-energy excitations in strongly correlated materials: A theoretical;and experimental study of the dynamic structure factor in V2O3;PHYSICAL REVIEW B;86;20;205132;10.1103/PhysRevB.86.205132;NOV 30 2012;2012;This work contains an experimental and theoretical study of the dynamic;structure factor at large momentum transfer vertical bar Q vertical bar;similar to 4 angstrom(-1) of the strongly correlated transition-metal;oxide V2O3. We focus in particular on the transitions between d states;that give rise to the spectra below 6 eV. We show that the main peak in;this energy range is mainly due to t(2g) -> e(g)(sigma) transitions, and;that it carries a signature of the phase transition between the;paramagnetic insulator and the paramagnetic metal that can already be;understood from the joint density of states calculated at the level of;the static local density approximation. Instead, in order to obtain;theoretical spectra that are overall similar to the measured ones, we;have to go beyond the static approximation and include at least crystal;local field effects. The latter turn out to be crucial in order to;eliminate a spurious peak and hence allow a safe comparison between;theory and experiment, including an analysis of the strong anisotropy of;the spectra.;CSIC-UPV/EHU, CFM/F-4867-2012; Iori, Federico/E-5372-2013; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Iori, Federico/0000-0002-7677-3435;;4;0;0;0;4;1098-0121;WOS:000311715100006;;;J;Kharitonov, Maxim;Antiferromagnetic state in bilayer graphene;PHYSICAL REVIEW B;86;19;195435;10.1103/PhysRevB.86.195435;NOV 30 2012;2012;Motivated by the recent experiment of Velasco Jr. et al. [J. Velasco Jr.;et al., Nat. Nanotechnology 7, 156 (2012)], we develop a mean-field;theory of the interaction-induced antiferromagnetic (AF) state in;bilayer graphene at charge neutrality point at arbitrary perpendicular;magnetic field B. We demonstrate that the AF state can persist at all B.;At higher B, the state continuously crosses over to the AF phase of the;nu = 0 quantum Hall ferromagnet, recently argued to be realized in the;insulating nu = 0 state. The mean-field quasiparticle gap is finite at B;= 0 and grows with increasing B, becoming quasilinear in the quantum;Hall regime, in accord with the reported behavior of the transport gap.;By adjusting the two free parameters of the model, we obtain a;simultaneous quantitative agreement between the experimental and;theoretical values of the key parameters of the gap dependence-its;zero-field value and slope at higher fields. Our findings suggest that;the insulating state observed in bilayer graphene in Ref. 1 is;antiferromagnetic (canted, once the Zeeman effect is taken into account);at all magnetic fields.;19;1;0;0;19;1098-0121;WOS:000311715000009;;;J;Klos, J. W.;Kumar, D.;Romero-Vivas, J.;Fangohr, H.;Franchin, M.;Krawczyk, M.;Barman, A.;Effect of magnetization pinning on the spectrum of spin waves in;magnonic antidot waveguides;PHYSICAL REVIEW B;86;18;184433;10.1103/PhysRevB.86.184433;NOV 30 2012;2012;We study the spin-wave spectra in magnonic antidot waveguides (MAWs) for;two limiting cases (strong and negligible) of the surface anisotropy at;the ferromagnet/air interface. The MAWs under investigation have the;form of a thin stripe of permalloy with a single row of periodically;arranged antidots in the middle. The introduction of a magnetization;pinning at the edges of the permalloy stripe and the edges of antidots;is found to modify the spin-wave spectrum. This effect is shown to be;necessary for magnonic gaps to open in the considered systems. Our study;demonstrates that the surface anisotropy can be crucial in the practical;applications of MAWs and related structures and in the interpretation of;experimental results in one-and two-dimensional magnonic crystals. We;used three different numerical methods, i.e., plane waves method (PWM),;finite difference method, and finite element method to validate the;results. We showed that PWM in the present formulation assumes pinned;magnetization, while in micromagnetic simulations special care must be;taken to introduce pinning.;Fangohr, Hans/C-6367-2008; Klos, Jaroslaw/G-9728-2012;Fangohr, Hans/0000-0001-5494-7193; Klos, Jaroslaw/0000-0002-5858-2950;13;2;0;0;13;1098-0121;WOS:000311714700002;;;J;Kolata, K.;Koester, N. S.;Chernikov, A.;Drexler, M. J.;Gatti, E.;Cecci, S.;Chrastina, D.;Isella, G.;Guzzi, M.;Chatterjee, S.;Dephasing in Ge/SiGe quantum wells measured by means of coherent;oscillations;PHYSICAL REVIEW B;86;20;201303;10.1103/PhysRevB.86.201303;NOV 30 2012;2012;We present a dephasing time analysis of the excitonic resonances in;Ge/SiGe quantum wells for various lattice temperatures by coherent;oscillation spectroscopy (COS). The results are compared to the;linewidths of the excitonic resonances determined from linear absorption;measurements. Additionally, COS is applied to different samples with;varying linewidth, identifying one sample with a dominating;homogeneously broadened 1s excitonic resonance down to 7 K.;Chatterjee, Sangam/E-3124-2012;2;0;0;0;2;1098-0121;WOS:000311715100003;;;J;Lang, Li-Jun;Chen, Shu;Majorana fermions in density-modulated p-wave superconducting wires;PHYSICAL REVIEW B;86;20;205135;10.1103/PhysRevB.86.205135;NOV 30 2012;2012;We study the p-wave superconducting wire with a periodically modulated;chemical potential and show that the Majorana edge states are robust;against the periodic modulation. We find that the critical amplitude of;modulated potential, at which the Majorana edge fermions and topological;phase disappear, strongly depends on the phase shifts. For some specific;values of the phase shift, the critical amplitude tends to infinity. The;existence of Majorana edge fermions in the open chain can be;characterized by a topological Z(2) invariant of the bulk system, which;can be applied to determine the phase boundary between the topologically;trivial and nontrivial superconducting phases. We also demonstrate the;existence of the zero-energy peak in the spectral function of the;topological superconducting phase, which is only sensitive to the open;boundary condition but robust against the disorder.;Lang, Li-Jun/C-2815-2014;Lang, Li-Jun/0000-0001-6038-8340;11;0;0;0;11;1098-0121;WOS:000311715100009;;;J;Lazicki, Amy;Dewaele, Agnes;Loubeyre, Paul;Mezouar, Mohamed;High-pressure-temperature phase diagram and the equation of state of;beryllium;PHYSICAL REVIEW B;86;17;174118;10.1103/PhysRevB.86.174118;NOV 30 2012;2012;X-ray diffraction of beryllium in a laser-heated diamond anvil cell;provides experimental insight into its behavior at high pressure and;temperature. We measure the cold compression of Be in helium and NaCl;pressure media up 192 GPa, and its thermal expansion up to 82 GPa and;2630 K. The new measurements form a P-V-T data set which is fit by the;Vinet-Debye form to establish a Be experimental equation of state. We;compare the results to several theoretical models. The crystal structure;of Be is determined up to 205 GPa and 4000 K; no evidence for the;predicted high-temperature transition to a cubic phase is found.;Finally, the maximum temperature stability of the solid phase along;isobaric heating ramps gives a lower bound for the melting curve.;5;0;0;0;5;1098-0121;WOS:000311714600002;;;J;Li, J.;Ekuma, C. E.;Vekhter, I.;Jarrell, M.;Moreno, J.;Stadler, S.;Karki, A. B.;Jin, R.;Physical properties of Ba2Mn2Sb2O single crystals;PHYSICAL REVIEW B;86;19;195142;10.1103/PhysRevB.86.195142;NOV 30 2012;2012;We report both experimental and theoretical investigations of the;physical properties of Ba2Mn2Sb2O single crystals. This material;exhibits a hexagonal structure with lattice constants a = 4.7029(15) A;and c = 19.9401(27) A, as obtained from powder x-ray diffraction;measurements, and in agreement with structural optimization through;density functional theory (DFT) calculations. The magnetic;susceptibility and specific heat show anomalies at T-N = 60 K,;consistent with antiferromagnetic ordering. However, the magnitude of;T-N is significantly smaller than the Curie-Weiss temperature (vertical;bar Theta(CW)vertical bar approximate to 560 K), suggesting a magnetic;system of reduced dimensionality. The temperature dependence of both the;in-plane and out-of-plane resistivity changes from activated at T > T-x;similar to 200 K to logarithmic at T < T-x. Correspondingly, the;magnetic susceptibility displays a bump at T-x. DFT calculations at the;DFT + U level support the experimental observation of an;antiferromagnetic ground state.;Vekhter, Ilya/M-1780-2013; Moreno, Juana/D-5882-2012;0;0;0;0;0;1098-0121;WOS:000311715000001;;;J;Mafra, D. L.;Kong, J.;Sato, K.;Saito, R.;Dresselhaus, M. S.;Araujo, P. T.;Using gate-modulated Raman scattering and electron-phonon interactions;to probe single-layer graphene: A different approach to assign phonon;combination modes;PHYSICAL REVIEW B;86;19;195434;10.1103/PhysRevB.86.195434;NOV 30 2012;2012;Gate-modulated and laser-dependent Raman spectroscopy have been widely;used to study q = 0 zone center phonon modes, their self-energy, and;their coupling to electrons in graphene systems. In this work we use;gate-modulated Raman of q not equal 0 phonons as a technique to;understand the nature of five second-order Raman combination modes;observed in the frequency range of 1700-2300 cm(-1) of single-layer;graphene (SLG). Anomalous phonon self-energy renormalization phenomena;are observed in all five combination modes within this intermediate;frequency region, which can clearly be distinguished from one another.;By combining the anomalous phonon renormalization effect with the double;resonance Raman theory, which includes both phonon dispersion relations;and angular dependence of the electron-phonon scattering matrix;elements, and by comparing it to the experimentally obtained phonon;dispersion, measured by using different laser excitation energies, we;can assign each Raman peak to the proper phonon combination mode. This;approach should also shed light on the understanding of more complex;structures such as few-layer graphene (FLG) and its stacking orders as;well as other two-dimensional (2D)-like materials.;Sato, Kentaro/B-7163-2008; Saito, Riichiro/B-1132-2008;Sato, Kentaro/0000-0001-6706-2175;;5;2;1;0;5;1098-0121;WOS:000311715000008;;;J;Mazza, Giacomo;Fabrizio, Michele;Dynamical quantum phase transitions and broken-symmetry edges in the;many-body eigenvalue spectrum;PHYSICAL REVIEW B;86;18;184303;10.1103/PhysRevB.86.184303;NOV 30 2012;2012;Many-body models undergoing a quantum phase transition to a;broken-symmetry phase that survives up to a critical temperature must;possess, in the ordered phase, symmetric as well as nonsymmetric;eigenstates. We predict, and explicitly show in the fully connected;Ising model in a transverse field, that these two classes of eigenstates;do not overlap in energy, and therefore that an energy edge exists;separating low-energy symmetry-breaking eigenstates from high-energy;symmetry-invariant ones. This energy is actually responsible, as we;show, for the dynamical phase transition displayed by this model under a;sudden large increase of the transverse field. A second situation we;consider is the opposite, where the symmetry-breaking eigenstates are;those in the high-energy sector of the spectrum, whereas the low-energy;eigenstates are symmetric. In that case too a special energy must exist;marking the boundary and leading to unexpected out-of-equilibrium;dynamical behavior. An example is the fermonic repulsive Hubbard model;Hamiltonian H. Exploiting the trivial fact that the high-energy spectrum;of H is also the low-energy one of -H, we conclude that the high-energy;eigenstates of the Hubbard model are superfluid. Simulating in a;time-dependent Gutzwiller approximation the time evolution of a;high-energy BCS-like trial wave function, we show that a small;superconducting order parameter will actually grow in spite of the;repulsive nature of the interaction.;fabrizio, michele/N-3762-2014;2;0;0;0;2;1098-0121;WOS:000311714700001;;;J;Mueller, T.;Aharonovich, I.;Wang, Z.;Yuan, X.;Castelletto, S.;Prawer, S.;Atatuere, M.;Phonon-induced dephasing of chromium color centers in diamond;PHYSICAL REVIEW B;86;19;195210;10.1103/PhysRevB.86.195210;NOV 30 2012;2012;We report on the coherence properties of single photons from;chromium-based color centers in diamond. We use field-correlation and;spectral line-shape measurements to reveal the interplay between slow;spectral wandering and fast dephasing mechanisms as a function of;temperature. The zero-phonon transition frequency and its linewidth;follow a power-law dependence on temperature, which is consistent with;direct electron-phonon coupling and phonon-modulated Coulomb coupling to;nearby impurities, which are the predominant fast dephasing mechanisms;for these centers. Further, the observed reduction in the quantum yield;for photon emission as a function of temperature suggests the opening of;additional nonradiative channels through thermal activation to;higher-energy states and indicates a near-unity quantum efficiency at 4;K.;castelletto, stefania/G-1516-2011; McKenzie, Warren/J-2137-2014;3;0;0;0;3;1098-0121;WOS:000311715000007;;;J;Murthy, Ganpathy;Shankar, R.;Hamiltonian theory of fractionally filled Chern bands;PHYSICAL REVIEW B;86;19;195146;10.1103/PhysRevB.86.195146;NOV 30 2012;2012;There is convincing numerical evidence that fractional quantum-Hall-like;ground states arise in fractionally filled Chern bands. Here, we show;that the Hamiltonian theory of composite fermions (CF) can be as useful;in describing these states as it was in describing the fractional;quantum Hall effect (FQHE) in the continuum. We are able to introduce;CFs into the fractionally filled Chern-band problem in two stages.;First, we construct an algebraically exact mapping which expresses the;electron density projected to the Chern band rho(FCB) as a sum of;Girvin-MacDonald-Platzman density operators rho(GMP) that obey the;magnetic translation algebra. Next, following our Hamiltonian treatment;of the FQH problem, we rewrite the operators rho(GMP) in terms of CF;variables which reproduce the same algebra. This naturally produces a;unique Hartree-Fock ground state for the CFs, which can be used as a;springboard for computing gaps, response functions,;temperature-dependent phenomena, and the influence of disorder. We give;two concrete examples, one of which has no analog in the continuum FQHE;with nu = 1/5 and sigma(xy) = 2/5. Our approach can be easily extended;to fractionally filled, strongly interacting two-dimensional;time-reversal-invariant topological insulators.;15;0;0;0;15;1098-0121;WOS:000311715000005;;;J;Ovsyannikov, Sergey V.;Morozova, Natalia V.;Karkin, Alexander E.;Shchennikov, Vladimir V.;High-pressure cycling of hematite alpha-Fe2O3: Nanostructuring, in situ;electronic transport, and possible charge disproportionation;PHYSICAL REVIEW B;86;20;205131;10.1103/PhysRevB.86.205131;NOV 30 2012;2012;We studied electronic transport properties of hematite (alpha-Fe2O3) at;room temperature under cycling of high pressure up to similar to 22 GPa.;The original samples and those recovered after high-pressure experiments;were examined by x-ray diffraction and Raman and optical absorption;spectroscopy. At ambient pressure the original samples were also;characterized by temperature measurements of electrical and;galvanomagnetic properties. Upon compression, the original single;crystals underwent a sluggish structural deconfinement starting above 5;GPa into a nanometric state. Above 5-7 GPa, the nanostructured hematite;showed a reversible transition to a state with enhanced electrical;conductivity and moderate values of thermoelectric power (Seebeck;effect) of about -150 mu V/K. This electronic phase corresponds to;neither conventional trivalent oxidation state of the iron ions in;hematite nor metallic conductivity. Analysis of the electronic transport;data in the frameworks of two models, of polaron hopping, and of;intrinsic semiconductor conductivity, revealed a change from the;electron conductivity to two-band electrical conductivity and suggested;that the observed enhancement of the electrical properties in;nanocrystalline alpha-Fe2O3 above 5-7 GPa is related to the;mixed-valence state of the iron ions. Since alpha-Fe2O3 is believed to;undergo a "spin-flop" (Morin) transition near 2-5 GPa at room;temperature, we discuss potential contributions of magnetoelastic and;other effects to the observed high-pressure properties of hematite.;Ovsyannikov, Sergey/J-7802-2012; Morozova, Natalia/J-3568-2013; Karkin, Alexander/J-6712-2013; Shchennikov, Vladimir/J-8533-2013;Morozova, Natalia/0000-0002-2377-1372; Karkin,;Alexander/0000-0003-0464-4762; Shchennikov, Vladimir/0000-0003-2887-1652;4;0;0;0;4;1098-0121;WOS:000311715100005;;;J;Pielawa, Susanne;Berg, Erez;Sachdev, Subir;Frustrated quantum Ising spins simulated by spinless bosons in a tilted;lattice: From a quantum liquid to antiferromagnetic order;PHYSICAL REVIEW B;86;18;184435;10.1103/PhysRevB.86.184435;NOV 30 2012;2012;We study spinless bosons in a decorated square lattice with a;near-diagonal tilt. The resonant subspace of the tilted Mott insulator;is described by an effective Hamiltonian of frustrated quantum Ising;spins on a nonbipartite lattice. This generalizes an earlier proposal;for the unfrustrated quantum Ising model in one dimension which was;realized in a recent experiment on ultracold Rb-87 atoms in an optical;lattice. Very close to diagonal tilt, we find a quantum liquid state;which is continuously connected to the paramagnet. Frustration can be;reduced by increasing the tilt angle away from the diagonal, and the;system undergoes a transition to an antiferromagnetically ordered state.;Using quantum Monte Carlo simulations and exact diagonalization, we find;that for realistic system sizes the antiferromagnetic order appears to;be quasi-one-dimensional, however, in the thermodynamic limit the order;is two-dimensional.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;1;0;0;0;1;1098-0121;WOS:000311714700004;;;J;Popov, V. V.;Polischuk, O. V.;Davoyan, A. R.;Ryzhii, V.;Otsuji, T.;Shur, M. S.;Plasmonic terahertz lasing in an array of graphene nanocavities;PHYSICAL REVIEW B;86;19;195437;10.1103/PhysRevB.86.195437;NOV 30 2012;2012;We propose a novel concept of terahertz lasing based on stimulated;generation of plasmons in a planar array of graphene resonant;micro/nanocavities strongly coupled to terahertz radiation. Due to the;strong plasmon confinement and superradiant nature of terahertz emission;by the array of plasmonic nanocavities, the amplification of terahertz;waves is enhanced by many orders of magnitude at the plasmon resonance;frequencies. We show that the lasing regime is ensured by the balance;between the plasmon gain and plasmon radiative damping.;Davoyan, Artur/K-8567-2013;Davoyan, Artur/0000-0002-4662-1158;15;0;0;0;15;1098-0121;WOS:000311715000011;;;J;Romanov, Sergei G.;Vogel, Nicolas;Bley, Karina;Landfester, Katharina;Weiss, Clemens K.;Orlov, Sergej;Korovin, Alexander V.;Chuiko, Gennady P.;Regensburger, Alois;Romanova, Alexandra S.;Kriesch, Arian;Peschel, Ulf;Probing guided modes in a monolayer colloidal crystal on a flat metal;film;PHYSICAL REVIEW B;86;19;195145;10.1103/PhysRevB.86.195145;NOV 30 2012;2012;Two-dimensional slab hybrid metal-dielectric photonic crystals, which;are prepared by assembling polymer colloidal spheres into closely packed;monolayers of hexagonal symmetry on a gold-coated glass substrate, show;an improved confinement of light compared with a colloidal monolayer on;a glass substrate. We demonstrated that the optical response of such;hybrid crystals consists of diffractively coupled waveguiding modes,;Fabry-Perot resonances, and Mie resonances. Correspondingly, two major;mechanisms, namely, band transport and hopping of localized excitations,;participate in the in-plane light transport in such hybrid crystals.;Weiss, Clemens/C-9932-2009; Peschel, Ulf/C-3356-2013; Romanov, Sergei/H-6868-2013; Kriesch, Arian/A-7337-2011;Weiss, Clemens/0000-0001-8559-0385; Romanov, Sergei/0000-0003-0546-9505;;Kriesch, Arian/0000-0002-8347-0344;6;1;0;0;6;1098-0121;WOS:000311715000004;;;J;Schoop, Leslie;Muechler, Lukas;Schmitt, Jennifer;Ksenofontov, Vadim;Medvedev, Sergey;Nuss, Juergen;Casper, Frederick;Jansen, Martin;Cava, R. J.;Felser, Claudia;Effect of pressure on superconductivity in NaAlSi;PHYSICAL REVIEW B;86;17;174522;10.1103/PhysRevB.86.174522;NOV 30 2012;2012;The ternary superconductor NaAlSi, isostructural with LiFeAs, the "111";iron pnictide superconductor, is investigated under pressure. The;structure remains stable up to 15 GPa. Resistivity and susceptibility;measurements show an increase of T-c up to 2 GPa, followed by a decrease;until superconductivity disappears at 4.8 GPa. Band structure;calculations show that pressure should have a negligible effect on the;electronic structure and the Fermi surface and thus the disappearance of;superconductivity under pressure must have a different origin. We;compare the electronic structure of NaAlSi under pressure with that of;nonsuperconducting isostructural NaAlGe.;Felser, Claudia/A-5779-2009; Casper, Frederick/A-5782-2009; Nuss, Juergen/G-2711-2010; Muchler, Lukas/A-4628-2013; Schoop, Leslie/A-4627-2013;Nuss, Juergen/0000-0002-0679-0184; Schoop, Leslie/0000-0003-3459-4241;1;0;0;0;1;1098-0121;WOS:000311714600006;;;J;Schwier, E. F.;Scherwitzl, R.;Vydrova, Z.;Garcia-Fernandez, M.;Gibert, M.;Zubko, P.;Garnier, M. G.;Triscone, J. -M.;Aebi, P.;Unusual temperature dependence of the spectral weight near the Fermi;level of NdNiO3 thin films;PHYSICAL REVIEW B;86;19;195147;10.1103/PhysRevB.86.195147;NOV 30 2012;2012;We investigate the behavior of the spectral weight near the Fermi level;of NdNiO3 thin films as a function of temperature across the;metal-to-insulator transition (MIT) by means of ultraviolet;photoelectron spectroscopy. The spectral weight was found to exhibit;thermal hysteresis, similar to that of the dc conductivity. A detailed;analysis of the temperature dependence reveals two distinct regimes of;spectral loss close to the Fermi level. The temperature evolution of one;regime is found to be independent of the MIT.;Garcia-Fernandez, Mirian/B-6018-2013; Zubko, Pavlo/B-5496-2009;Zubko, Pavlo/0000-0002-7330-3163;2;0;0;0;2;1098-0121;WOS:000311715000006;;;J;Sen, Arnab;Damle, Kedar;Moessner, R.;Vacancy-induced spin textures and their interactions in a classical spin;liquid;PHYSICAL REVIEW B;86;20;205134;10.1103/PhysRevB.86.205134;NOV 30 2012;2012;Motivated by experiments on the archetypal frustrated magnet;SrCr9pGa12-9pO19 (SCGO), we study the classical Heisenberg model on the;pyrochlore slab (kagome bilayer) lattice with site dilution x = 1 - p.;This allows us to address generic aspects of the physics of nonmagnetic;vacancies in a classical spin liquid. We explicitly demonstrate that the;pure (x = 0) system remains a spin liquid down to the lowest;temperatures, with an unusual nonmonotonic temperature dependence of the;susceptibility, which even turns diamagnetic for the apical spins;between the two kagome layers. For x > 0 but small, the low-temperature;magnetic response of the system is most naturally described in terms of;the properties of spatially extended spin textures that cloak an;"orphan" S = 3/2 Cr3+ spin in direct proximity to a pair of missing;sites belonging to the same triangular simplex. In the T -> 0 limit,;these orphan-texture complexes each carry a net magnetization that is;exactly half the magnetic moment of an individual spin of the undiluted;system. Furthermore, we demonstrate that they interact via an entropic;temperature-dependent pairwise exchange interaction J(eff) (T,(r) over;right arrow) similar to T J ((r) over right arrow root T) that has a;logarithmic form at short distances and decays exponentially beyond a;thermal correlation length xi(T) similar to 1/root T. The sign of J(eff);depends on whether the two orphan spins belong to the same kagome layer;or not. We provide a detailed analytical account of these properties;using an effective field theory approach specifically tailored for the;problem at hand. These results are in quantitative agreement with;large-scale Monte Carlo numerics.;3;1;0;0;3;1098-0121;WOS:000311715100008;;;J;Solanki, Ravindra Singh;Mishra, S. K.;Senyshyn, Anatoliy;Ishii, I.;Moriyoshi, Chikako;Suzuki, Takashi;Kuroiwa, Yoshihiro;Pandey, Dhananjai;Antiferrodistortive phase transition in pseudorhombohedral;(Pb0.94Sr0.06)( Zr0.550Ti0.450)O-3: A combined synchrotron x-ray and;neutron powder diffraction study;PHYSICAL REVIEW B;86;17;174117;10.1103/PhysRevB.86.174117;NOV 30 2012;2012;The controversies about the structure of the true ground state of;pseudorhombohedral compositions of Pb(ZrxTi1-x)O-3 (PZT) are addressed;using a 6% Sr2+ substituted sample with x = 0.550. Sound velocity;measurements reveal a phase transition at T-c similar to 279 K. The;temperature dependence of full width at half maximum of (h00)(pc) peaks;and the unit cell volume also show anomalies around 279 K even though;there is no indication of any change of space group in the synchrotron;x-ray powder diffraction (SXRD) patterns. The neutron powder diffraction;patterns reveal appearance of superlattice peaks below T-c similar to;279 K, confirming the existence of an antiferrodistortive phase;transition. The Rietveld analysis of the room-temperature and;low-temperature SXRD data below T-c shows that the structure corresponds;to single monoclinic phase in the Cm space group while the analysis of;neutron powder diffraction data reveals that the structure of the;ground-state phase below T-c corresponds to the Cc space group. Our;analysis shows that the structural models for the ground-state phase;based on the R3c space group with or without the coexistence of the;room-temperature monoclinic phase in the Cm space group can be rejected.;SOLANKI, RAVINDRA /H-7221-2013; Senyshyn, Anatoliy/C-8267-2014;Senyshyn, Anatoliy/0000-0002-1473-8992;3;0;0;0;3;1098-0121;WOS:000311714600001;;;J;Steinke, N. -J.;Moore, T. A.;Mansell, R.;Bland, J. A. C.;Barnes, C. H. W.;Nonuniversal dynamic magnetization reversal in the Barkhausen-dominated;and mesofrequency regimes;PHYSICAL REVIEW B;86;18;184434;10.1103/PhysRevB.86.184434;NOV 30 2012;2012;Dynamic magnetization reversal in the mesofrequency range is studied by;ac magneto-optical Kerr effect (ac-MOKE) and ac anisotropic;magnetoresistance (ac-AMR) magnetometry in a series of epitaxial and;polycrystalline thin magnetic films. The dynamic coercive field was;found to scale as a power law with scaling exponents <= 1/2 depending on;the ferromagnetic material. In addition, there is a low sweep rate;regime in which the dynamic coercivity reaches a minimum. These findings;are explained in the context of reversal proceeding by motion of a few;domain walls (similar to 1). At dc and low field sweep rates the;reversal proceeds between local pinning sites via Barkhausen avalanches;and the overall reversal speed is strongly dependent on the field sweep;rate. At higher field sweep rates a continuous motion regime is entered;in which the reversal velocity depends linearly on the applied field;sweep rate and only an average pinning force is experienced by the wall.;The fit of the dynamic coercivity vs applied field sweep rate allows the;determination of the average nonlocal pinning field. The nonuniversal;scaling exponent can be explained using recently developed models and;introducing a field rate-dependent number of active domain walls.;Mansell, Rhodri/A-1450-2013;2;0;0;0;2;1098-0121;WOS:000311714700003;;;J;Stoffel, M.;Fagot-Revurat, Y.;Tejeda, A.;Kierren, B.;Nicolaou, A.;Le Fevre, P.;Bertran, F.;Taleb-Ibrahimi, A.;Malterre, D.;Electron-phonon coupling on strained Ge/Si(111)-(5x5) surfaces;PHYSICAL REVIEW B;86;19;195438;10.1103/PhysRevB.86.195438;NOV 30 2012;2012;We investigate the structural and electronic properties of strained;Ge/Si(111)-(5 x 5) surfaces by means of scanning tunneling microscopy;and high-resolution angle-resolved photoemission spectroscopy. The;homogeneous (5 x 5) reconstructed overlayers are characterized by three;electronic surface states, similar to the Si(111)-(7 x 7) surface. The;dispersion of the dangling bond related surface state exhibits the same;periodicity as that of the (5 x 5) reconstruction. Moreover, a careful;analysis of the shape and width of this surface state provides striking;evidence of electron-phonon coupling at low temperatures. By considering;the spectral function within a simple Debye model, we determine both the;Debye energy and the electron-phonon coupling strength. The latter value;is further confirmed by analyzing the temperature-dependent phonon;broadening of the dangling bond related surface state linewidth.;BERTRAN, Francois/B-7515-2008; Tejeda, Antonio/C-4711-2014;BERTRAN, Francois/0000-0002-2416-0514; Tejeda,;Antonio/0000-0003-0125-4603;1;0;0;0;1;1098-0121;WOS:000311715000012;;;J;Turek, I.;Kudrnovsky, J.;Carva, K.;Magnetic anisotropy energy of disordered tetragonal Fe-Co systems from;ab initio alloy theory;PHYSICAL REVIEW B;86;17;174430;10.1103/PhysRevB.86.174430;NOV 30 2012;2012;We present results of systematic fully relativistic first-principles;calculations of the uniaxial magnetic anisotropy energy (MAE) of a;disordered and partially ordered tetragonal Fe-Co alloy using the;coherent potential approximation (CPA). This alloy has recently become a;promising system for thin ferromagnetic films with a perpendicular;magnetic anisotropy. We find that existing theoretical approaches to;homogeneous random bulk Fe-Co alloys, based on a simple virtual crystal;approximation (VCA), overestimate the maximum MAE values obtained in the;CPA by a factor of 4. This pronounced difference is ascribed to the;strong disorder in the minority spin channel of real alloys, which is;neglected in the VCA and which leads to a broadening of the d-like;eigenstates at the Fermi energy and to the reduction of the MAE. The;ordered Fe-Co alloys with a maximum L1(0)-like atomic long-range order;can exhibit high values of the MAE, which, however, get dramatically;reduced by small perturbations of the perfect order.;Carva, Karel/A-3703-2008; Turek, Ilja/G-5553-2014; KUDRNOVSKY, Josef/G-5581-2014;KUDRNOVSKY, Josef/0000-0002-9968-6748;10;0;0;0;10;1098-0121;WOS:000311714600004;;;J;Uppstu, Andreas;Harju, Ari;High-field magnetoresistance revealing scattering mechanisms in graphene;PHYSICAL REVIEW B;86;20;201409;10.1103/PhysRevB.86.201409;NOV 30 2012;2012;We show that the type of charge carrier scattering significantly affects;the high-field magnetoresistance of graphene nanoribbons. This effect;has the potential to be used in identifying the scattering mechanisms in;graphene. The results also provide an explanation for the experimentally;found, intriguing differences in the behavior of the magnetoresistance;of graphene Hall bars placed on different substrates. Additionally, our;simulations indicate that the peaks in the longitudinal resistance tend;to become pinned to fractionally quantized values, as different;transport modes have very different scattering properties.;Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;1;0;0;0;1;1098-0121;WOS:000311715100004;;;J;White, Alexander J.;Sukharev, Maxim;Galperin, Michael;Molecular nanoplasmonics: Self-consistent electrodynamics in;current-carrying junctions;PHYSICAL REVIEW B;86;20;205324;10.1103/PhysRevB.86.205324;NOV 30 2012;2012;We consider a biased molecular junction subjected to an external;time-dependent electromagnetic field. We discuss local field formation;due to both surface plasmon-polariton excitations in the contacts and;the molecular response. Employing realistic parameters we demonstrate;that such self-consistent treatment is crucial for the proper;description of the junction transport characteristics.;White, Alexander/D-8754-2014;White, Alexander/0000-0002-7771-3899;3;0;0;0;3;1098-0121;WOS:000311715100010;;;J;Wierschem, Keola;Kato, Yasuyuki;Nishida, Yusuke;Batista, Cristian D.;Sengupta, Pinaki;Magnetic and nematic orderings in spin-1 antiferromagnets with;single-ion anisotropy;PHYSICAL REVIEW B;86;20;201108;10.1103/PhysRevB.86.201108;NOV 30 2012;2012;We study a spin-1 Heisenberg model with exchange interaction J, uniaxial;single-ion exchange anisotropy D, and Zeeman coupling to a magnetic;field B parallel to the symmetry axis. We compute the (D/J, B/J) quantum;phase diagram for square and simple cubic lattices by combining;analytical and quantum Monte Carlo approaches, and find a transition;between XY antiferromagnetic and ferronematic phases that spontaneously;break the U(1) symmetry of the model. In the language of bosonic gases,;this is a transition between a Bose-Einstein condensate (BEC) of single;bosons and a BEC of pairs. Our work opens up new avenues for measuring;this transition in real magnets.;8;0;0;0;8;1098-0121;WOS:000311715100001;;;J;Wu, Chien-Te;Valls, Oriol T.;Halterman, Klaus;Proximity effects in conical-ferromagnet/superconductor bilayers;PHYSICAL REVIEW B;86;18;184517;10.1103/PhysRevB.86.184517;NOV 30 2012;2012;We present a study of various aspects of proximity effects in F/S;(ferromagnet/superconductor) bilayers, where F has a spiral magnetic;texture such as that found in holmium, erbium, and other materials, and;S is a conventional s-wave superconductor. We numerically solve the;Bogoliubov-de Gennes (BdG) equations self-consistently and use the;solutions to compute physical quantities relevant to the proximity;effects in these bilayers. We obtain the relation between the;superconducting transition temperature T-c and the thicknesses d(F) of;the magnetic layer by solving the linearized BdG equations. We find that;the T-c (d(F)) curves include multiple oscillations. Moreover, the;system may be reentrant not only with d(F), as is the case when the;magnet is uniform, but also with temperature T : the superconductivity;disappears in certain ranges of d(F) or T. The T reentrance reported;here occurs when d(F) is larger than the spatial period of the conical;exchange field. We compute the condensation free energies and entropies;from the full BdG equations and find the results are in agreement with;T-c values obtained by linearization. The inhomogeneous nature of the;magnet makes it possible for all odd triplet pairing components to be;induced. We have investigated their properties and found that, as;compared to the singlet amplitude, both the m = 0 and +/- 1 triplet;components exhibit long-range penetration. For nanoscale bilayers, the;proximity lengths for both layers are also obtained. These lengths;oscillate with d(F) and they are found to be long range on both sides.;These results are shown to be consistent with recent experiments. We;also calculate the reverse proximity effect described by the;three-dimensional local magnetization, and the local density of states,;which reveals important energy-resolved signatures associated with the;proximity effects.;6;0;0;0;6;1098-0121;WOS:000311714700005;;;J;Altarelli, M.;Kurta, R. P.;Vartanyants, I. A.;X-ray cross-correlation analysis and local symmetries of disordered;systems: General theory (vol 82, 104207, 2010);PHYSICAL REVIEW B;86;17;179904;10.1103/PhysRevB.86.179904;NOV 29 2012;2012;1;0;0;0;1;1098-0121;WOS:000311693600006;;;J;Beheshtian, J.;Sadeghi, A.;Neek-Amal, M.;Michel, K. H.;Peeters, F. M.;Induced polarization and electronic properties of carbon-doped boron;nitride nanoribbons;PHYSICAL REVIEW B;86;19;195433;10.1103/PhysRevB.86.195433;NOV 29 2012;2012;The electronic properties of boron nitride nanoribbons (BNNRs) doped;with a line of carbon atoms are investigated using density functional;calculations. By replacing a line of alternating B and N atoms with;carbons, three different configurations are possible depending on the;type of the atoms which bond to the carbons. We found very different;electronic properties for these configurations: (i) the NCB arrangement;is strongly polarized with a large dipole moment having an unexpected;direction, (ii) the BCB and NCN arrangements are nonpolar with zero;dipole moment, (iii) the doping by a carbon line reduces the band gap;regardless of the local arrangement of the borons and the nitrogens;around the carbon line, and (iv) the polarization and energy gap of the;carbon-doped BNNRs can be tuned by an electric field applied parallel to;the carbon line. Similar effects were found when either an armchair or;zigzag line of carbon was introduced.;Sadeghi, Ali/D-1554-2013;8;0;0;0;8;1098-0121;WOS:000311694200006;;;J;Chi, Hang;Kim, Hyoungchul;Thomas, John C.;Su, Xianli;Stackhouse, Stephen;Kaviany, Massoud;Van der Ven, Anton;Tang, Xinfeng;Uher, Ctirad;Configuring pnicogen rings in skutterudites for low phonon conductivity;PHYSICAL REVIEW B;86;19;195209;10.1103/PhysRevB.86.195209;NOV 29 2012;2012;Dominant heat-carrying modes in skutterudites are associated with;vibrations of the pnicogen rings. Apart from filling the structural;cages with foreign species, disrupting the pnicogen ring structure by;substitutional alloying should be an effective approach to reduce;thermal conductivity. In this paper we explore alloying configurations;of pnicogen rings (Sb rings in the case of CoSb3) that yield;particularly low values of the thermal conductivity. We find that IV-VI;double substitution (replacing two Sb atoms with one atom each from the;column IV and column VI elements to achieve an average charge of two Sb;atoms) is a very effective approach. Our ab initio calculations, in;combination with a cluster expansion, have allowed us to identify stable;alloy configurations on the Sb rings. Subsequent molecular and lattice;dynamics simulations on low energy configurations establish the range of;atomic displacement parameters and values of the thermal conductivity.;Theoretical results are in good agreement with our experimental thermal;conductivity values. Combining both approaches of compensated double;substitution and filling of structural cages should be an effective way;of improving the thermoelectric figure of merit of skutterudites.;Su, Xianli/A-9685-2012; Chi, Hang/F-1537-2011; Thomas, John/A-2764-2009; Kim, Hyoungchul/F-2557-2014;Chi, Hang/0000-0002-1299-1150; Thomas, John/0000-0002-3162-0152; Kim,;Hyoungchul/0000-0003-3109-660X;8;0;0;0;8;1098-0121;WOS:000311694200003;;;J;Fortmann, C.;Niemann, C.;Glenzer, S. H.;Theory of x-ray scattering in high-pressure electrides;PHYSICAL REVIEW B;86;17;174116;10.1103/PhysRevB.86.174116;NOV 29 2012;2012;We report on a theoretical model for the calculation of x-ray scattering;from high-pressure electrides. By treating interstitial electrons as;effective anions forming a sublattice within the crystal, we explicitly;account for Bragg reflections from the sublattice as well as for;scattering interferences between the ion lattice and the anion;sublattice. The additional reflections and interferences lead to;significant modifications of the static structure factor as compared to;the pure lattices. Our results are important for accurate calculations;of material properties in the high-pressure phase and allow for direct;experimental verification of electride phases in matter at ultrahigh;pressures through angle-resolved x-ray scattering.;2;0;0;0;2;1098-0121;WOS:000311693600001;;;J;Guclu, Caner;Campione, Salvatore;Capolino, Filippo;Hyperbolic metamaterial as super absorber for scattered fields generated;at its surface;PHYSICAL REVIEW B;86;20;205130;10.1103/PhysRevB.86.205130;NOV 29 2012;2012;We show that hyperbolic metamaterials (HMs) that exhibit hyperbolic;wave-vector dispersion diagrams possess two important features related;to super absorption: The total power scattered by a nanosphere is (i);greatly enhanced when placed at the HM surface, compared to other;material surfaces, and (ii) almost totally directed into the HM. We show;that these two features are peculiar of HM interfaces, and we support;them using a spectral theory study of transverse-electric and magnetic;waves scattered by a subwavelength nanosphere. We analyze the;nanosphere's scattered power absorbed by various substrate;configurations. We also consider various nanosphere materials.;22;0;0;0;22;1098-0121;WOS:000311694300002;;;J;Hebbache, M.;Entanglement of electron spins and geometric phases in the diamond color;center coupled to the P1 center;PHYSICAL REVIEW B;86;19;195316;10.1103/PhysRevB.86.195316;NOV 29 2012;2012;Impurity spins in semiconductors are potential quantum bits.;Entanglement and topological phases are key resources in quantum;computation. We prove that the coupled electron spins carried by a;diamond nitrogen-vacancy color center (NV-) and a single substitutional;nitrogen impurity (P1 center) are entangled in the immediate vicinity of;the level anticrossing that appears in the Zeeman energy diagram at;about 500 G. We also determine the Aharonov-Anandan, Berry, and marginal;geometric phases that can be accumulated by the state vectors of this;spin system when it is magnetically transported around a closed path. At;the resonance where the gap between two energy levels is minimum, the;geometric phases undergo discontinuities, and the entanglement of the;two electron spins is maximal.;2;0;0;0;2;1098-0121;WOS:000311694200004;;;J;Kerdsongpanya, Sit;Alling, Bjorn;Eklund, Per;Effect of point defects on the electronic density of states of ScN;studied by first-principles calculations and implications for;thermoelectric properties;PHYSICAL REVIEW B;86;19;195140;10.1103/PhysRevB.86.195140;NOV 29 2012;2012;We have investigated the effect of defects and impurities on the;electronic density of states of scandium nitride using first-principles;calculations with the generalized gradient approximation and hybrid;functionals for the exchange correlation energy. Our results show that;Sc and N vacancies can introduce asymmetric peaks in the density of;states close to the Fermi level. We also find that the N vacancy states;are sensitive to total electron concentration of the system due to their;possibility for spin polarization. Substitutional point defects shift;the Fermi level in the electronic band according to their valence but do;not introduce sharp features. The energetics and electronic structure of;defect pairs are also studied. By using hybrid functional calculations,;a correct description of the band gap of scandium nitride is obtained.;Our results envisage ways for improving the thermoelectric figure of;merit of ScN by electronic structure engineering through stoichiometry;tuning and doping.;Eklund, Per/B-7677-2011; Alling, Bjorn/I-3193-2012;Eklund, Per/0000-0003-1785-0864; Alling, Bjorn/0000-0001-5863-5605;8;0;0;0;8;1098-0121;WOS:000311694200001;;;J;Kim, Jiseok;Fischetti, Massimo V.;Aboud, Shela;Structural, electronic, and transport properties of silicane nanoribbons;PHYSICAL REVIEW B;86;20;205323;10.1103/PhysRevB.86.205323;NOV 29 2012;2012;Silicane ribbons do not suffer from aromatic dependence of the band gap;making them a more promising candidate for near-term nanoelectronic;application compared to armchair graphene nanoribbons. The structural,;electronic, and transport properties of free-standing sp(3)-hybridized;armchair- and zigzag-edge silicane nanoribbons have been investigated;using ab initio and nonlocal empirical pseudopotential calculations.;Under ambient conditions, two-dimensional silicane sheets will;spontaneously break into stable one-dimensional ribbons similar to;density functional theory studies of graphene ribbons. The calculated;low-field electron mobility and ballistic conductance show a strong edge;dependence, due to differences in the effective mass and momentum;relaxation rates along the two transport directions. The mobility in;zigzag-edge ribbons is found to be approximately twenty times higher;than in armchair-edge ribbons.;7;0;0;0;7;1098-0121;WOS:000311694300004;;;J;Kim, Kyou-Hyun;Payne, David A.;Zuo, Jian-Min;Symmetry of piezoelectric (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (x=0.31);single crystal at different length scales in the morphotropic phase;boundary region;PHYSICAL REVIEW B;86;18;184113;10.1103/PhysRevB.86.184113;NOV 29 2012;2012;We use probes of three different length scales to examine symmetry of (1;- x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) single crystals in the;morphotropic phase boundary (MPB) region at composition x = 0.31;(PMN-31% PT). On the macroscopic scale, x-ray diffraction (XRD) shows a;mixture of strong and weak diffraction peaks of different widths. The;closest match to XRD peak data is made with monoclinic Pm (M-C);symmetry. On the local scale of a few nanometers, convergent beam;electron diffraction (CBED) studies, with a 1.6-nm electron probe,;reveal no obvious symmetry. These CBED experimental patterns can be;approximately matched with simulations based on monoclinic symmetry,;which suggests locally distorted monoclinic structure. A monoclinic Cm;(M-A or M-B)-like symmetry could also be obtained from certain regions;of the crystal by using a larger electron probe size of several tens of;nanometers in diameter. Thus the monoclinic symmetry of single crystal;PMN-31% PT is developed only in parts of the crystal by averaging over;locally distorted structure on the scale of few tens of nanometers. The;macroscopic symmetry observed by XRD is a result of averaging from the;local structure in PMN-31% PT single crystal. The lack of local symmetry;at a few nanometers scale suggests that the polarization switching;results from a change in local displacements, which are not restricted;to specific symmetry planes or directions.;2;0;0;0;2;1098-0121;WOS:000311693900002;;;J;Kossacki, P.;Faugeras, C.;Kuehne, M.;Orlita, M.;Mahmood, A.;Dujardin, E.;Nair, R. R.;Geim, A. K.;Potemski, M.;Circular dichroism of magnetophonon resonance in doped graphene;PHYSICAL REVIEW B;86;20;205431;10.1103/PhysRevB.86.205431;NOV 29 2012;2012;The polarization-resolved Raman-scattering response due to E-2g phonons;in monolayer graphene has been investigated in magnetic fields up to 29;T. The hybridization of the E-2g phonon is only observed with the;fundamental inter-Landau-level excitation (involving the n = 0 Landau;level) and in just one of the two configurations of the circularly;cross-polarized excitation and scattered light. This polarization;anisotropy of the magnetophonon resonance is shown to be inherent to;relatively strongly doped graphene samples with carrier concentrations;typical for graphene deposited on Si/SiO2 substrates.;Dujardin, Erik/A-2748-2010; Raveendran Nair, Rahul/G-5839-2010; Orlita, Milan/H-1130-2014;Dujardin, Erik/0000-0001-7242-9250;;3;0;0;0;3;1098-0121;WOS:000311694300005;;;J;Kostylev, M.;Stashkevich, A. A.;Roussigne, Y.;Grigoryeva, N. A.;Mistonov, A. A.;Menzel, D.;Sapoletova, N. A.;Napolskii, K. S.;Eliseev, A. A.;Lukashin, A. V.;Grigoriev, S. V.;Samarin, S. N.;Microwave properties of Ni-based ferromagnetic inverse opals;PHYSICAL REVIEW B;86;18;184431;10.1103/PhysRevB.86.184431;NOV 29 2012;2012;Investigations of microwave properties of Ni-based inverse ferromagnetic;opal-like film with the [111] axis of the fcc structure along the normal;direction to the film have been carried out in the 2-18 GHz frequency;band. We observed multiple spin wave resonances for the magnetic field;applied perpendicular to the film, i.e., along the [111] axis of this;artificial crystal. For the field applied in the film plane, a broad;band of microwave absorption is observed, which does not contain a fine;structure. The field ranges of the responses observed are quite;different for these two magnetization directions. This suggests a;collective magnetic ground state or shape anisotropy and collective;microwave dynamics for this foam-like material. This result is in;agreement with SQUID measurements of hysteresis loops for the material.;Two different models for this collective behavior are suggested that;satisfactorily explain the major experimental results.;Lukashin, Alexey/F-6746-2013; Mistonov, Alexander/H-2098-2013; Grigoryeva, Natalia/K-2253-2013; Kostylev, Mikhail/H-5214-2014;Mistonov, Alexander/0000-0003-0138-3579; Grigoryeva,;Natalia/0000-0002-9910-6192;;1;0;0;0;1;1098-0121;WOS:000311693900004;;;J;Kvashnin, Y. O.;Khmelevskyi, S.;Kudrnovsky, J.;Yaresko, A. N.;Genovese, L.;Bruno, P.;Noncollinear magnetic ordering in compressed FePd3 ordered alloy: A;first principles study;PHYSICAL REVIEW B;86;17;174429;10.1103/PhysRevB.86.174429;NOV 29 2012;2012;By means of ab initio calculations based on the density functional;theory we investigated the magnetic phase diagram of ordered FePd3 alloy;as a function of external pressure. Considering several magnetic;configurations we concluded that the system under pressure has a;tendency toward noncollinear spin alignment. Analysis of the Heisenberg;exchange parameters J(ij) revealed strong dependence of iron-iron;magnetic couplings on polarization of Pd atoms. To take into account;that effect we built an extended Heisenberg model with higher order;(biquadratic) terms. Minimizing the energy of this Hamiltonian, fully;parametrized using the results of ab initio calculations, we found a;candidate for a ground state of compressed FePd3, which can be seen as;two interpenetrating "triple-Q" phases.;Genovese, Luigi/C-5937-2011; Bruno, Patrick/C-9159-2009; KUDRNOVSKY, Josef/G-5581-2014;Genovese, Luigi/0000-0003-1747-0247; Bruno, Patrick/0000-0002-2574-1943;;KUDRNOVSKY, Josef/0000-0002-9968-6748;1;0;0;0;1;1098-0121;WOS:000311693600004;;;J;Li, Wu;Lindsay, L.;Broido, D. A.;Stewart, Derek A.;Mingo, Natalio;Thermal conductivity of bulk and nanowire Mg2SixSn1-x alloys from first;principles;PHYSICAL REVIEW B;86;17;174307;10.1103/PhysRevB.86.174307;NOV 29 2012;2012;The lattice thermal conductivity (kappa) of the thermoelectric;materials, Mg2Si, Mg2Sn, and their alloys, are calculated for bulk and;nanowires, without adjustable parameters. We find good agreement with;bulk experimental results. For large nanowire diameters, size effects;are stronger for the alloy than for the pure compounds. For example, in;200 nm diameter nanowires kappa is lower than its bulk value by 30%,;20%, and 20% for Mg2Si0.6Sn0.4, Mg2Si, and Mg2Sn, respectively. For;nanowires less than 20 nm thick, the relative decrease surpasses 50%,;and it becomes larger in the pure compounds than in the alloy. At room;temperature, kappa of Mg2SixSn1-x is less sensitive to nanostructuring;size effects than SixGe1-x, but more sensitive than PbTexSe1-x. This;suggests that further improvement of Mg2SixSn1-x as a nontoxic;thermoelectric may be possible.;Lindsay, Lucas/C-9221-2012; Stewart, Derek/B-6115-2008;25;1;0;0;25;1098-0121;WOS:000311693600002;;;J;Niklasson, Anders M. N.;Cawkwell, Marc J.;Fast method for quantum mechanical molecular dynamics;PHYSICAL REVIEW B;86;17;174308;10.1103/PhysRevB.86.174308;NOV 29 2012;2012;As the processing power available for scientific computing grows,;first-principles Born-Oppenheimer molecular dynamics simulations are;becoming increasingly popular for the study of a wide range of problems;in materials science, chemistry, and biology. Nevertheless, the;computational cost of Born-Oppenheimer molecular dynamics still remains;prohibitively large for many potential applications. Here we show how to;avoid a major computational bottleneck: the self-consistent-field;optimization prior to force calculations. The optimization-free quantum;mechanical molecular dynamics method gives trajectories that are almost;indistinguishable from an "exact" microcanonical Born-Oppenheimer;molecular dynamics simulation even when low-prefactor linear scaling;sparse matrix algebra is used. Our findings show that the computational;gap between classical and quantum mechanical molecular dynamics;simulations can be significantly reduced.;4;0;0;0;4;1098-0121;WOS:000311693600003;;;J;Ong, Zhun-Yong;Fischetti, Massimo V.;Theory of interfacial plasmon-phonon scattering in supported graphene;(vol 86, 165422, 2012);PHYSICAL REVIEW B;86;19;199904;10.1103/PhysRevB.86.199904;NOV 29 2012;2012;Ong, Zhun-Yong/B-9486-2013;Ong, Zhun-Yong/0000-0003-2668-6453;6;0;0;0;6;1098-0121;WOS:000311694200007;;;J;Per, Manolo C.;Snook, Ian K.;Russo, Salvy P.;Efficient calculation of unbiased expectation values in diffusion;quantum Monte Carlo;PHYSICAL REVIEW B;86;20;201107;10.1103/PhysRevB.86.201107;NOV 29 2012;2012;Despite the proven utility of quantum Monte Carlo methods in addressing;the quantum many-body problem, many important observables are difficult;to calculate due to the presence of large, and sometimes divergent,;statistical errors. The present state of the art allows the construction;of renormalized estimators which result in finite variances, but which;invariably include some systematic bias. We present a simple method for;calculating unbiased expectation values of local operators in the;diffusion quantum Monte Carlo method which is applicable to both bare;and renormalized estimators, allowing the accurate calculation of;important properties such as forces.;snook, ian/A-3427-2009; Per, Manolo/C-3680-2011;1;0;0;0;1;1098-0121;WOS:000311694300001;;;J;Simonson, J. W.;Smith, G. J.;Post, K.;Pezzoli, M.;Kistner-Morris, J. J.;McNally, D. E.;Hassinger, J. E.;Nelson, C. S.;Kotliar, G.;Basov, D. N.;Aronson, M. C.;Magnetic and structural phase diagram of CaMn2Sb2;PHYSICAL REVIEW B;86;18;184430;10.1103/PhysRevB.86.184430;NOV 29 2012;2012;On the basis of magnetic, transport, and optical measurements performed;on single crystals, we report CaMn2Sb2 to be an antiferromagnetic;insulator that exhibits weak ferromagnetic order above the Neel;temperature. Magnetic susceptibility measurements reveal the magnitude;of the high-temperature Curie-Weiss moment to be only half as large as;the ground-state ordered moment, while electronic-structure calculations;based on crystallographic measurements suggest a crystal-field-induced;spin-state transition does not occur. The antiferromagnetic state is;relatively insensitive to both doping and modest pressures, while the;ferromagnetism can be readily tuned by either. Infrared transmission and;pressure-dependent resistivity measurements suggest proximity to an;electronic delocalization transition. We suggest the ferromagnetic state;may be the signature of magnetic polarons.;1;1;0;0;1;1098-0121;WOS:000311693900003;;;J;Stishov, Sergei M.;Petrova, Alla E.;Sidorov, Vladimir A.;Menzel, Dirk;Self-doping effects in cobalt silicide CoSi: Electrical, magnetic,;elastic, and thermodynamic properties (vol 86, 064433, 2012);PHYSICAL REVIEW B;86;17;179903;10.1103/PhysRevB.86.179903;NOV 29 2012;2012;0;0;0;0;0;1098-0121;WOS:000311693600005;;;J;Thede, M.;Xiao, F.;Baines, Ch.;Landee, C.;Morenzoni, E.;Zheludev, A.;Ordering in weakly coupled random singlet spin chains;PHYSICAL REVIEW B;86;18;180407;10.1103/PhysRevB.86.180407;NOV 29 2012;2012;The influence of bond randomness on long-range magnetic ordering in the;weakly coupled S = 1/2 antiferromagnetic spin chain materials;Cu(py)(2)(Cl1-xBrx)(2) is studied by muon spin rotation and bulk;measurements. Disorder is found to have a strong effect on the ordering;temperature T-N, and an even stronger one on the saturation;magnetization m(0), but considerably more so in the effectively;lower-dimensional Br-rich materials. The observed behavior is attributed;to random singlet ground states of individual spin chains, but remains;in contradiction with chain mean-field theory [Joshi and Yang, Phys.;Rev. B 67, 174403 (2003)] predictions. In this context, we discuss the;possibility of a universal distribution of ordered moments in the weakly;coupled random singlet chains model.;Thede, Matthias/L-2975-2013;4;0;0;0;4;1098-0121;WOS:000311693900001;;;J;Usov, V.;Stoyanov, S.;Coileain, C. O.;Toktarbaiuly, O.;Shvets, I. V.;Antiband instability on vicinal Si(111) under the condition of;diffusion-limited sublimation;PHYSICAL REVIEW B;86;19;195317;10.1103/PhysRevB.86.195317;NOV 29 2012;2012;In this paper, we investigate the antiband instability on vicinal;Si(111) surfaces with different angles of misorientation. It is known;that prolonged direct current-annealing of Si(111) results in the;formation of antibands; i.e., the step bunches with the opposite slope;to the primary bunches. We provide a theoretical description of antiband;formation via the evolution of the atomic steps' shape. We also derive a;criterion for the onset of the antiband instability under the conditions;of sublimation controlled by slow adatom surface diffusion. We examine;this criterion experimentally by studying the initial stage of the;antiband formation at a constant temperature of 1270 degrees C while;systematically varying the applied electromigration field. The;experiment strongly supports the validity of the derived theoretical;criterion and indicates the importance of accounting for the factor of;critical field in the theoretical modeling of step bunching or antiband;instabilities. Deduced from the comparison of theory and experiment, the;Si surface atoms' effective charge cannot exceed double the elementary;charge, set by the lower limit of kinetic characteristic length d(s) =;0.3 nm. Using d(s) = 1.7 - 4.5 nm draws values of the effective charge;in line with the values reported in earlier studies.;Shvets, Igor/J-8710-2013;0;0;0;0;0;1098-0121;WOS:000311694200005;;;J;Weber, Cedric;Mila, Frederic;Anticollinear magnetic order induced by impurities in the frustrated;Heisenberg model of pnictides;PHYSICAL REVIEW B;86;18;184432;10.1103/PhysRevB.86.184432;NOV 29 2012;2012;We present Monte Carlo simulations for a classical antiferromagnetic;Heisenberg model with both nearest (J(1)) and next-nearest (J(2));exchange couplings on the square lattice in the presence of nonmagnetic;impurities. We show that the order-by-disorder entropy selection,;associated with the Ising-like phase transition that appears for;J(2)/J(1) > 1/2 in the pure spin model, is quenched at low temperature;due to the presence of nonmagnetic impurities. Evidence that a new;competing order is stabilized around the impurities and in turn induces;a reentrance phase transition is reported. Implications for local;magnetic measurement of the parent compound of iron pnictides are;briefly discussed.;Weber, Cedric/D-5027-2014;Weber, Cedric/0000-0002-6989-2700;4;0;0;0;4;1098-0121;WOS:000311693900005;;;J;Weston, L.;Cui, X. Y.;Delley, B.;Stampfl, C.;Band offsets and polarization effects in wurtzite ZnO/Mg0.25Zn0.75O;superlattices from first principles;PHYSICAL REVIEW B;86;20;205322;10.1103/PhysRevB.86.205322;NOV 29 2012;2012;Using first-principles calculations, we investigate the band offsets,;built-in electric fields, and band gaps of (0001)-oriented wurtzite;ZnO/Mg0.25Zn0.75O superlattices, including the dependence on;superlattice geometry and strain. Significant built-in electric fields;form inside the quantum-well region that are found to be tunable over;the range 0.24 MV/cm <= E-w <= 0.63 MV/cm, and potentially up to 1MV/cm;by varying the relative width of the well and barrier regions. The;valence band offset at the ZnO/Mg0.25Zn0.75O interface is calculated to;be 0.25-0.26 eV which, in contrast to the "common anion rule," is a;significant portion of the total band offset, and this is in support of;recent experiment. Calculated values for the valence band offset were;found to be insensitive to variations in superlattice geometry and;strain. The band gap of the superlattice is determined by the competing;effects of quantum confinement and the quantum-confined Stark effect,;with the former being more dominant for the systems investigated. These;findings will be useful in the design and optimization of ZnO/MgxZn1-xO;superlattices for electronics and optoelectronics applications.;Delley, Bernard/E-1336-2014;Delley, Bernard/0000-0002-7020-2869;3;0;1;0;4;1098-0121;WOS:000311694300003;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;PHYSICAL REVIEW B;86;19;195141;10.1103/PhysRevB.86.195141;NOV 29 2012;2012;We perform realistic first-principles calculations of iron chalcogenides;and ruthenate-based materials to identify experimental signatures of;Hund's-coupling-induced correlations in these systems. We find that FeTe;and KxFe2-yAs2 display unusual orbital-dependent fractional power-law;behavior in their quasiparticle self-energy and optical conductivity, a;phenomenon first identified in SrRuO3. Strong incoherence in the;paramagnetic state of these materials results in electronic states;hidden to angle-resolved photoemission spectroscopy which reemerge at;low temperatures. We identify the effective low-energy Hamiltonian;describing these systems and show that these anomalies are not;controlled by the proximity to a quantum critical point but result from;coexistence of fast quantum mechanical orbital fluctuations and slow;spin fluctuations.;Yin, Zhiping/G-3949-2012;Yin, Zhiping/0000-0001-8679-5251;10;0;0;0;10;1098-0121;WOS:000311694200002;;;J;Kumar, A.;Fennie, C. J.;Rabe, K. M.;Spin-lattice coupling and phonon dispersion of CdCr2O4 from first;principles;PHYSICAL REVIEW B;86;18;184429;10.1103/PhysRevB.86.184429;NOV 28 2012;2012;First-principles calculations are used to investigate the effects of;magnetic ordering on the minimum-energy structure and on the full phonon;dispersion relation of CdCr2O4, focusing on the changes through the;coupled magnetic/structural transition which shows relief of the;geometric frustration of the antiferromagnetic ordering on the;pyrochlore lattice. We computed the full phonon dispersion relations for;the ferromagnetic and antiferromagnetic orderings in cubic and;tetragonal structures of CdCr2O4. We extracted the phonon dispersion for;the cubic paramagnetic phase and found that it compares wellwith the;experimental results. The AFM ordering is seen to lower the symmetry and;induce a lattice distortion comparable in magnitude to that observed in;the transition. While the spin-phonon couplings are large for modes;which involve displacement of the Cr atoms, there are no unstable modes;at any point in the Brillouin zone for either of the magnetic orderings;considered, and thus we conclude that the phase transition is driven not;by spin-phonon coupling, but by the atomic forces and stresses induced;by the magnetic order. Finally, by comparison of the phonon frequencies;for structures with different magnetic orderings and structural;distortions, we find that the spin-phonon coupling, rather than the;coupling of the phonons to the structural change, is the dominant factor;in the observed changes of phonon frequencies through the phase;transition.;Kumar, Anil/A-9834-2013;Kumar, Anil/0000-0002-4901-8987;1;0;0;0;1;1098-0121;WOS:000311604700002;;;J;Lin, Shi-Zeng;Bulaevskii, Lev N.;Batista, Cristian D.;Vortex dynamics in ferromagnetic superconductors: Vortex clusters,;domain walls, and enhanced viscosity;PHYSICAL REVIEW B;86;18;180506;10.1103/PhysRevB.86.180506;NOV 28 2012;2012;We demonstrate that there is a long-range vortex-vortex attraction in;ferromagnetic superconductors due to polarization of the magnetic;moments. Vortex clusters are then stabilized in the ground state for low;vortex densities. The motion of vortex clusters driven by the Lorentz;force excites magnons. This regime becomes unstable at a threshold;velocity above which domain walls are generated for slow relaxation of;the magnetic moments and the vortex configuration becomes modulated.;This dynamics of vortices and magnetic moments can be probed by;transport measurements.;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;6;0;0;0;6;1098-0121;WOS:000311604700001;;;J;Wong, Chris L. M.;Law, K. T.;Majorana Kramers doublets in dx2-y2-wave superconductors with Rashba;spin-orbit coupling;PHYSICAL REVIEW B;86;18;184516;10.1103/PhysRevB.86.184516;NOV 28 2012;2012;In this work, we show that a quasi-one-dimensional d(x2-y2)-wave;superconductor with Rashba spin-orbit coupling is a DIII class,;time-reversal invariant, topological superconductor (TS), which supports;a Majorana Kramers Doublet (MKD) at each end of the TS. A MKD is a pair;of Majorana end states (MESs) protected by time-reversal symmetry (TRS).;An external magnetic field breaks TRS and drives the system from DIII to;D class in which case a single MES appears at each end of the TS. We;show that a MKD induces resonant Andreev reflection with zero-bias;conductance peak of 4e(2)/h. Experimental realizations of the proposed;model are discussed.;Law, Kam/H-1410-2011;19;1;0;0;19;1098-0121;WOS:000311604700003;;;J;De Luca, M.;Pettinari, G.;Ciatto, G.;Amidani, L.;Filippone, F.;Polimeni, A.;Fonda, E.;Boscherini, F.;Bonapasta, A. Amore;Giubertoni, D.;Knuebel, A.;Lebedev, V.;Capizzi, M.;Identification of four-hydrogen complexes in In-rich InxGa1-xN (x > 0.4);alloys using photoluminescence, x-ray absorption, and density functional;theory;PHYSICAL REVIEW B;86;20;201202;10.1103/PhysRevB.86.201202;NOV 28 2012;2012;Postgrowth hydrogen incorporation in In-rich InxGa1-xN (x > 0.4) alloys;strongly modifies the optical and structural properties of the material:;A large blueshift of the emission and absorption energies is accompanied;by a remarkable broadening of the interatomic-distance distribution, as;probed by synchrotron radiation techniques. Both effects vanish at a;finite In-concentration value (x similar to 0.5). Synergic x-ray;absorption measurements and first-principle calculations unveil two;different defective species forming upon hydrogenation: one due to the;high chemical reactivity of H, the other ascribed to mere lattice;damage. In the former species, four H atoms bind to as many N atoms, all;nearest-neighbors of a same In atom. The stability of this peculiar;complex, which is predicted to behave as a donor, stems from atomic;displacements cooperating to reduce local strain.;Fonda, Emiliano/D-9666-2011; Filippone, Francesco/I-4718-2012; Pettinari, Giorgio/M-8678-2014;Filippone, Francesco/0000-0001-5862-1115; Pettinari,;Giorgio/0000-0003-0187-3770;1;0;0;0;1;1098-0121;WOS:000311605000001;;;J;Grytsyuk, Sergiy;Peskov, Maxim V.;Schwingenschloegl, Udo;First-principles modeling of interfaces between solids with large;lattice mismatch: The prototypical CoO(111)/Ni(111) interface;PHYSICAL REVIEW B;86;17;174115;10.1103/PhysRevB.86.174115;NOV 28 2012;2012;In this work we investigate the CoO(111)/Ni(111) interface by;first-principles calculations, focusing on its structure and stability.;To satisfy the approximate 5:6 ratio of the CoO and Ni lattice;constants, we construct a supercell with 5 x 5 Co (O) and 6 x 6 Ni atoms;per layer in the bulk regions. For the interface Ni layer and the;adjacent Ni layer we consider different configurations and study the;binding energy. We show for an ideal CoO interface terminated by 5 x 5 O;atoms that the structure is more stable if there are 5 x 5 Ni atoms next;to it instead of 6 x 6 as in the bulk. In addition, we observe that a;transition layer with 31 or 33 Ni atoms located between the interface 5;x 5 Ni and bulk 6 x 6 Ni layers (which partially reflects the structures;of both these layers) enhances the stability of the CoO/Ni interface.;The electronic and magnetic modifications induced by the interface;formation are discussed.;3;0;0;0;3;1098-0121;WOS:000311604400001;;;J;Luekermann, D.;Sologub, S.;Pfnuer, H.;Klein, C.;Horn-von Hoegen, M.;Tegenkamp, C.;Scattering at magnetic and nonmagnetic impurities on surfaces with;strong spin-orbit coupling;PHYSICAL REVIEW B;86;19;195432;10.1103/PhysRevB.86.195432;NOV 28 2012;2012;Adsorption-induced reduction of surface-state conductivity in epitaxial;Bi(111) films, a prototype system with large Rashba-induced;surface-state splitting, by adsorbed atoms of Bi, Fe, and Co has been;investigated by macroscopic surface magnetotransport measurements at a;temperature of 10 K. A detailed analysis of magnetotransport, dc;transport, and Hall data reveals that the scattering efficiencies for Co;and Fe are larger by a factor of 2 than that for Bi. While for the;latter charge transfer and change of band filling near the Fermi level;are negligible, we find an increase of hole concentration upon Co and Fe;adsorption. These atoms act as acceptors and immobilize on average about;0.5 electrons per adsorbed atom. Besides the dominant classical;magnetoconductance signal the films show signatures of weak;antilocalization, reflecting the strong spin-orbit coupling in Bi(111);surface states. This behavior can be changed to weak localization by the;adsorption of high concentrations (0.1 monolayers) of magnetic;impurities (Fe, Co), similarly to results found on the topological;insulator Bi2Se3. Our results demonstrate that details of chemical bond;formation for impurities are crucial for local spin moments and;electronic scattering properties.;5;0;0;0;5;1098-0121;WOS:000311604900001;;;J;Molina-Sanchez, A.;Garcia-Cristobal, A.;Bester, G.;Semiempirical pseudopotential approach for nitride-based nanostructures;and ab initio based passivation of free surfaces;PHYSICAL REVIEW B;86;20;205430;10.1103/PhysRevB.86.205430;NOV 28 2012;2012;We present a semiempirical pseudopotential method based on screened;atomic pseudopotentials and derived from ab initio calculations. This;approach is motivated by the demand for pseudopotentials able to address;nanostructures, where ab initio methods are both too costly and;insufficiently accurate at the level of the local density approximation,;while mesoscopic effective-mass approaches are inapplicable due to the;small size of the structures along, at least, one dimension. In this;work, we improve the traditional pseudopotential method by a two-step;process: First, we invert a set of self-consistently determined screened;ab initio potentials in wurtzite GaN for a range of unit-cell volumes,;thus determining spherically symmetric and structurally averaged atomic;potentials. Second, we adjust the potentials to reproduce observed;excitation energies. We find that the adjustment represents a reasonably;small perturbation over the potential, so that the ensuing potential;still reproduces the original wave functions, while the excitation;energies are significantly improved. We furthermore deal with the;passivation of the dangling bonds of free surfaces which is relevant for;the study of nanowires and colloidal nanoparticles. We present a;methodology to derive passivant pseudopotentials from ab initio;calculations. We apply our pseudopotential approach to the exploration;of the confinement effects on the electronic structure of GaN nanowires.;Bester, Gabriel/I-4414-2012;Bester, Gabriel/0000-0003-2304-0817;1;0;0;0;1;1098-0121;WOS:000311605000005;;;J;Patel, Aavishkar A.;Dutta, Amit;Sudden quenching in the Kitaev honeycomb model: Study of defect and heat;generation;PHYSICAL REVIEW B;86;17;174306;10.1103/PhysRevB.86.174306;NOV 28 2012;2012;We study the behavior of the defect and heat densities under sudden;quenching near the quantum critical points in the two-dimensional Kitaev;honeycomb model both in the thermodynamic and nonthermodynamic limits.;We consider quenches starting from a quantum critical point into the;gapped as well as the gapless phases. We choose points on the lines of;anisotropic quantum critical points as well as different points of;intersection of these lines as the initial points from where the;quenching starts. We find that the defect and heat densities display the;expected power-law scalings along with logarithmic corrections to;scaling (or cusp singularities) in certain cases. In the vicinity of;some of the intersection points, the scaling behaviors change,;indicating an effective dimensional reduction; the scaling behavior near;these points depends on the number of critical lines crossed in the;process of quenching. All the analytical predictions are also verified;by numerical integration.;1;0;0;0;1;1098-0121;WOS:000311604400002;;;J;Raith, Martin;Stano, Peter;Fabian, Jaroslav;Theory of spin relaxation in two-electron laterally coupled Si/SiGe;quantum dots;PHYSICAL REVIEW B;86;20;205321;10.1103/PhysRevB.86.205321;NOV 28 2012;2012;Highly accurate numerical results of phonon-induced two-electron spin;relaxation in silicon double quantum dots are presented. The relaxation,;enabled by spin-orbit coupling and the nuclei of Si-29 (natural or;purified abundance), is investigated for experimentally relevant;parameters, the interdot coupling, the magnetic field magnitude and;orientation, and the detuning. We calculate relaxation rates for zero;and finite temperatures (100 mK), concluding that our findings for zero;temperature remain qualitatively valid also for 100 mK. We confirm the;same anisotropic switch of the axis of prolonged spin lifetime with;varying detuning as recently predicted in GaAs. Conditions for possibly;hyperfine-dominated relaxation are much more stringent in Si than in;GaAs. For experimentally relevant regimes, the spin-orbit coupling,;although weak, is the dominant contribution, yielding anisotropic;relaxation rates of at least two orders of magnitude lower than in GaAs.;Raith, Martin/A-3357-2011; Stano, Peter/C-3016-2013; Fabian, Jaroslav/K-1700-2013;Fabian, Jaroslav/0000-0002-3009-4525;6;0;0;0;6;1098-0121;WOS:000311605000004;;;J;Romhanyi, Judit;Penc, Karlo;Multiboson spin-wave theory for Ba2CoGe2O7: A spin-3/2 easy-plane Neel;antiferromagnet with strong single-ion anisotropy;PHYSICAL REVIEW B;86;17;174428;10.1103/PhysRevB.86.174428;NOV 28 2012;2012;We consider the square-lattice antiferromagnetic Heisenberg Hamiltonian;extended with a single-ion axial anisotropy term as a minimal model for;the multiferroic Ba2CoGe2O7. Developing a multiboson spin-wave theory,;we investigate the dispersion of the spin excitations in this spin-3/2;system. As a consequence of a strong single-ion anisotropy, a stretching;(longitudinal) spin mode appears in the spectrum. The inelastic neutron;scattering spectra of Zheludev et al. [Phys. Rev. B 68, 024428 (2003)];are successfully reproduced by the low energy modes in the multiboson;spin-wave theory, and we anticipate the appearance of the spin;stretching modes at approximate to 4 meV that can be identified using;the calculated dynamical spin structure factors. We expect the;appearance of spin stretching modes for any S > 1/2 compound where the;single-ion anisotropy is significant.;Penc, Karlo/A-3092-2011;Penc, Karlo/0000-0002-2197-1370;5;1;0;0;5;1098-0121;WOS:000311604400004;;;J;Sarmadian, N.;Saniz, R.;Lamoen, D.;Partoens, B.;Influence of Al concentration on the optoelectronic properties of;Al-doped MgO;PHYSICAL REVIEW B;86;20;205129;10.1103/PhysRevB.86.205129;NOV 28 2012;2012;We use density functional theory within the local density approximation;to investigate the structural, electronic, and optical properties of;Al-doped MgO. The concentrations considered range from 6% to 56%. In the;latter case, we also compare the optical properties of the amorphous and;crystalline phases. We find that, overall, the electronic properties of;the crystalline phases change qualitatively little with Al;concentration. On the other hand, the changes in the electronic;structure in the amorphous phase are more important, most notably;because of deep impurity levels in the band gap that are absent in the;crystalline phase. This leads to observable effects in, e.g., the;optical absorption edge and in the refractive index. Thus, the latter;can be used to characterize the crystalline to amorphous transition with;Al doping level.;0;0;0;0;0;1098-0121;WOS:000311605000003;;;J;Smadici, S.;Nelson-Cheeseman, B. B.;Bhattacharya, A.;Abbamonte, P.;Interface ferromagnetism in a SrMnO3/LaMnO3 superlattice;PHYSICAL REVIEW B;86;17;174427;10.1103/PhysRevB.86.174427;NOV 28 2012;2012;Resonant soft x-ray absorption measurements at the O K edge on a;SrMnO3/LaMnO3 superlattice show a shoulder at the energy of doped holes,;which corresponds to the main peak of resonant scattering from the;modulation in the doped hole density. Scattering line shape at the Mn;L-3,L-2 edges has a strong variation below the ferromagnetic transition;temperature. This variation has a period equal to half the superlattice;superperiod and follows the development of the ferromagnetic moment,;pointing to a ferromagnetic phase developing at the interfaces. It;occurs at the resonant energies for Mn3+ and Mn4+ valences. A model for;these observations is presented, which includes a double-exchange;two-site orbital and the variation with temperature of the hopping;frequency t(ij) between the two sites.;Bhattacharya, Anand/G-1645-2011;Bhattacharya, Anand/0000-0002-6839-6860;1;0;0;0;1;1098-0121;WOS:000311604400003;;;J;Zanotto, Simone;Degl'Innocenti, Riccardo;Xu, Ji-Hua;Sorba, Lucia;Tredicucci, Alessandro;Biasiol, Giorgio;Ultrafast optical bleaching of intersubband cavity polaritons;PHYSICAL REVIEW B;86;20;201302;10.1103/PhysRevB.86.201302;NOV 28 2012;2012;We report on the transition from the strong to the weak light-matter;coupling regime between an intersubband excitation and a photonic;crystal resonance in a nanostructured semiconductor membrane. Such a;transition is induced by varying the intensity of an ultrafast light;pulse, which is employed for pumping and probing the system eigenmodes.;The phenomenon is interpreted in terms of the saturation of the;intersubband transition due to the large number of photoexcited;electrons in the quantum well, as confirmed by a thorough analysis;performed both in frequency and time domain.;Biasiol, Giorgio/C-5465-2009;Biasiol, Giorgio/0000-0001-7974-5459;5;0;0;0;5;1098-0121;WOS:000311605000002;;;J;Ciric, L.;Sienkiewicz, A.;Gaal, R.;Jacimovic, J.;Vaju, C.;Magrez, A.;Forro, L.;Defects and localization in chemically-derived graphene;PHYSICAL REVIEW B;86;19;195139;10.1103/PhysRevB.86.195139;NOV 27 2012;2012;We have performed electron spin resonance (ESR) measurements on a large;assembly of graphene oxide (GO) and reduced graphene oxide (RGO) flakes.;In GO samples the Curie tail is coming from 1.4 x 10(18) cm(-3) of;localized spins. Although reduction of GO was expected to reestablish;the pristine properties of graphene, no Pauli-like contribution was;detected and only a low concentration of 1.2 x 10(16) cm(-3) spin;carrying defects were measured. Our study, completed by resistivity;measurements, shows that the carrier transport in RGO samples is;dominated by hopping. The incomplete reduction of GO leaves behind a;large number of defects, presumably the majority of which are ESR;silent, causing the Anderson localization of the electronic states.;Slight doping with potassium indicates the appearance of a Pauli;contribution in the spin susceptibility.;Jacimovic, Jacim/C-2674-2013;2;0;0;0;2;1098-0121;WOS:000311537100001;;;J;Dietz, O.;Stoeckmann, H. -J.;Kuhl, U.;Izrailev, F. M.;Makarov, N. M.;Doppler, J.;Libisch, F.;Rotter, S.;Surface scattering and band gaps in rough waveguides and nanowires;PHYSICAL REVIEW B;86;20;201106;10.1103/PhysRevB.86.201106;NOV 27 2012;2012;The boundaries of waveguides and nanowires have drastic influence on;their coherent scattering properties. Designing the boundary profile is;thus a promising approach for transmission and band-gap engineering with;many applications. By performing an experimental study of microwave;transmission through rough waveguides we demonstrate that a recently;proposed surface scattering theory can be employed to predict the;measured transmission properties from the boundary profiles and vice;versa. A new key ingredient of this theory is a scattering mechanism;which depends on the squared gradient of the surface profiles. We;demonstrate the nontrivial effects of this scattering mechanism by;detailed mode-resolved microwave measurements and numerical simulations.;Dietz, Otto/E-9025-2011;4;0;0;0;4;1098-0121;WOS:000311537400001;;;J;Duong, Duc T.;Toney, Michael F.;Salleo, Alberto;Role of confinement and aggregation in charge transport in;semicrystalline polythiophene thin films;PHYSICAL REVIEW B;86;20;205205;10.1103/PhysRevB.86.205205;NOV 27 2012;2012;Crystallite orientations, molecular packing disorder, and hole mobility;of poly(3-hexylthiophene) thin films that are spin casted from different;solvents are studied as a function of film thickness. Grazing incidence;x-ray diffraction reveals that films consist of an ultrathin layer of;ordered, edge-on oriented aggregates and a more disordered, face-on;oriented bulk region. Diffraction and optical absorption spectroscopy;elucidate the film-forming process. Field-effect hole mobility provides;evidence for interconnecting aggregates as the mechanism for efficient;charge transport.;12;1;0;0;12;1098-0121;WOS:000311537400002;;;J;Farrell, David E.;Wolverton, C.;Structure and diffusion in liquid complex hydrides via ab initio;molecular dynamics;PHYSICAL REVIEW B;86;17;174203;10.1103/PhysRevB.86.174203;NOV 27 2012;2012;We have used density functional theory based ab initio molecular;dynamics (AIMD) to study NaAlH4, LiBH4, LiNH2, and Li2BNH6 across a;range of temperatures, above and below the experimental melting;temperature. We have elucidated the structure, vibrational, and;diffusion characteristics of these four materials. We find: (i) In all;cases, the liquid state remains a mixture of the ions found in the solid;state. (ii) The anions remain intact on average but undergo large;deformations across the range of temperatures. (iii) In the case of;LiNH2, there is evidence that the Li+ sublattice melts before the;anionic sublattice. (iv) We find a connection between increased;anion-anion ordering and reduced anion mobility even above the;experimental melting point, due to long range Coulombic interactions;between anions. (v) Finally, we find the liquid has the same major;vibrational modes as the solid, though the lower frequency vibration and;rotation modes become more prominent with increasing temperature.;Wolverton, Christopher/B-7542-2009;1;0;0;0;1;1098-0121;WOS:000311536400001;;;J;Gebhardt, Julian;Vines, Francesc;Goerling, Andreas;Influence of the surface dipole layer and Pauli repulsion on band;energies and doping in graphene adsorbed on metal surfaces;PHYSICAL REVIEW B;86;19;195431;10.1103/PhysRevB.86.195431;NOV 27 2012;2012;The synthesis of single-layer graphene sheets on metal surfaces can be;carried out routinely nowadays. The energetic alignment of the graphene;band structure, including the position of the Dirac point relative to;the Fermi level of the metal, and subsequently, the doping level of the;graphene sheet, depends crucially on the graphene-metal distance and the;specific metal considered. These dependencies are studied with;density-functional theory considering as typical metal surfaces Au(111),;Ni(111), and Au/Ni(111). In the latter case, a single layer of gold is;intercalated between the Ni(111) surface and the graphene sheet. We show;that the energetic positions of eigenstates of helium adsorbed on a;Au(111) surface exhibit a behavior with the adsorption distance;qualitatively comparable to that of bands of physisorbed graphene. In;both cases, the distance dependence of the energy of adsorbate bands can;be explained by the effect of the surface dipole layer on the adsorbate;bands and by electrostatic interactions caused by small charge;rearrangements due to Pauli repulsion between metal surface and;graphene. These charge rearrangements are neither caused by a charge;transfer nor by chemical interactions due to conventional orbital;interaction but have the effect to reduce the overlap of the surface;charge density of the metal with the charge density of the adsorbate.;The latter effect is known as pillow effect from molecules adsorbed on;metal surfaces. Charge transfer between graphene and the metal substrate;does occur but has an opposite effect to the surface dipole layer and;Pauli repulsion, i.e., reduces the effect of the latter. For very large;adsorption distances, this charge transfer vanishes in such a way that;the Dirac point of graphene aligns with the metal Fermi energy. It is;shown that the amount and character of graphene doping can be controlled;by tuning the graphene-metal distance. For a proper description of the;involved electrostatic potentials, a finite-slab correction had to be;applied to them in order to take into account the finite size of the;metal slabs used to model the substrate.;10;0;0;0;10;1098-0121;WOS:000311537100002;;;J;Han, Jae-Ho;Lee, Hyun-Woo;Interlayer exchange coupling between next nearest neighbor layers;PHYSICAL REVIEW B;86;17;174426;10.1103/PhysRevB.86.174426;NOV 27 2012;2012;Interlayer exchange coupling (IEC) between next nearest neighbor;magnetic layers is investigated. For a multilayer system that contains;threemagnetic layers (with magnetization directionsm (m)over-cap(1),;(m)(m)over-cap(2), and (m)(m)over-cap(3), respectively) separated by two;nonmagnetic layers, the angle dependence of the coupling energy and the;thickness dependence of coupling constants were obtained. In addition to;the well known nearest neighbor IEC of the form;-(J)over-tilde(12)(m)over-cap(1) center dot (m)over-cap(2) and;-(J)over-tilde(23)(m)over-cap(2) center dot (m)over-cap(3), we find the;next nearest neighbor IEC of the form -(J);over-tilde(123)((m)over-cap(1) center dot (m)over-cap(2))((m)over-cap(2);center dot (m)over-cap(3)), which is different from the Heisenberg type;next nearest neighbor coupling -J(13)(m)over-cap(1) center dot;(m)over-cap(3). The strength of the next nearest neighbor IEC oscillates;with respect to the thickness of both magnetic and nonmagnetic layers.;The strength of the next nearest neighbor IEC is generally smaller than;the conventional nearest neighbor IEC, but is large enough to allow for;experimental detection.;Lee, Hyun-Woo/B-8995-2008;Lee, Hyun-Woo/0000-0002-1648-8093;1;0;0;0;1;1098-0121;WOS:000311536400003;;;J;Lazo, Cesar;Neel, Nicolas;Kroeger, Joerg;Berndt, Richard;Heinze, Stefan;Tunneling magnetoresistance and exchange interaction in single-atom;contacts;PHYSICAL REVIEW B;86;18;180406;10.1103/PhysRevB.86.180406;NOV 27 2012;2012;The tunneling magnetoresistance of single-atom junctions is shown to;depend on the electrode separation owing to exchange forces and the;resulting geometric relaxations. An analytical model is proposed to;extract relaxations from the magnetoresistances measured with a scanning;tunneling microscope. Exchange forces and relaxations calculated within;density functional theory demonstrate the validity of the model for a;range of distances between tip and sample which extends from tunneling;close to the point of maximal attraction.;3;0;0;0;3;1098-0121;WOS:000311536700001;;;J;Luo, Xin;Sullivan, Michael B.;Quek, Su Ying;First-principles investigations of the atomic, electronic, and;thermoelectric properties of equilibrium and strained Bi2Se3 and Bi2Te3;including van der Waals interactions;PHYSICAL REVIEW B;86;18;184111;10.1103/PhysRevB.86.184111;NOV 27 2012;2012;Bi2Se3 and Bi2Te3 are layered compounds of technological importance,;being excellent thermoelectric materials as well as topological;insulators. We report density functional theory calculations of the;atomic, electronic, and thermoelectric properties of strained bulk and;thin-film Bi2Se3 and Bi2Te3, focusing on an appropriate description of;van der Waals (vdW) interactions. The calculations show that the van der;Waals density functional (vdW-DF) with Cooper's exchange (vdW-DFxC09);can reproduce closely the experimental interlayer distances in;unstrained Bi2Se3 and Bi2Te3. Interestingly, we predict atomic;structures that are in much better agreement with the experimentally;determined structure from Nakajima than that obtained from Wyckoff,;especially for Bi2Se3, where the difference in atomic structures;qualitatively changes the electronic band structure. The band structure;obtained using the Nakajima structure and the vdW-DFxC09 optimized;structure are in much better agreement with previous reports of;photoemission measurements, than that obtained using the Wyckoff;structure. Using vdW-DFxC09 to fully optimize atomic structures of bulk;and thin-film Bi2Se3 and Bi2Te3 under different in-plane and uniaxial;strains, we predict that the electronic bandgap of both the bulk;materials and thin films decreases with tensile in-plane strain and;increases with compressive in-plane strain. We also predict, using the;semiclassical Boltzmann approach, that the magnitude of the n-type;Seebeck coefficient of Bi2Te3 can be increased by the compressive;in-plane strain while that of Bi2Se3 can be increased with tensile;in-plane strain. Further, the in-plane power factor of n-doped Bi2Se3;can be increased with compressive uniaxial strain while that of n-doped;Bi2Te3 can be increased by compressive in-plane strain. Strain;engineering thus provides a direct method to control the electronic and;thermoelectric properties in these thermoelectric topological insulator;materials.;Quek, Su Ying/I-2934-2014;11;0;0;0;11;1098-0121;WOS:000311536700003;;;J;Olejnik, E.;Pandit, B.;Basel, T.;Lafalce, E.;Sheng, C-X.;Zhang, C.;Jiang, X.;Vardeny, Z. V.;Ultrafast optical studies of ordered poly(3-thienylene-vinylene) films;(vol 85, 235201, 2012);PHYSICAL REVIEW B;86;19;199903;10.1103/PhysRevB.86.199903;NOV 27 2012;2012;0;0;0;0;0;1098-0121;WOS:000311537100003;;;J;Qin, Zhen-Xing;Zhang, Chao;Tang, Ling-Yun;Zhong, Guo-Hua;Lin, Hai-Qing;Chen, Xiao-Jia;High-pressure phases of a hydrogen-rich compound: Tetramethylgermane;PHYSICAL REVIEW B;86;18;184110;10.1103/PhysRevB.86.184110;NOV 27 2012;2012;The vibrational and structural properties of a hydrogen-rich group IVa;hydride, Ge(CH3)(4), are studied by combining Raman spectroscopy and;synchrotron x-ray diffraction measurements at room temperature and at;pressures up to 30.2 GPa. Both techniques allow the obtaining of;complementary information on the high-pressure behaviors and yield;consistent phase transitions at 1.4 GPa for the liquid to solid and 3.0,;5.4, and 20.3 GPa for the solid to solid. The four high-pressure solid;phases are identified to have the cubic, orthorhombic, monoclinic, and;monoclinic crystal structures with space groups of Pa-3 for phase I,;Pnma for phase II, P2(1)/c for phase III, and P2(1) for phase IV,;respectively. These transitions are suggested to result from the changes;in the inter- and intramolecular bonding of this compound. The softening;of some Raman modes on CH3 groups and their sudden disappearance;indicate that Ge(CH3)(4) might be an ideal compound to realize;metallization and even high-temperature superconductivity at modest;static pressure for laboratory capability.;Zhong, Guohua/A-8811-2011; Zhang, Chao/E-5109-2010;Zhong, Guohua/0000-0003-0673-8738; Zhang, Chao/0000-0002-5957-2287;3;0;0;0;3;1098-0121;WOS:000311536700002;;;J;Wdowik, U. D.;Koza, M. M.;Chatterji, T.;Phonons in lanthanum manganite: Inelastic neutron scattering and density;functional theory studies;PHYSICAL REVIEW B;86;17;174305;10.1103/PhysRevB.86.174305;NOV 27 2012;2012;Dynamical properties of the lanthanum manganite lattice are examined by;inelastic neutron scattering experiments and density functional theory;calculations. Densities of vibrational states are measured close to the;Jahn-Teller transition temperature of 750 K. Substantial changes;observed in the phonon spectra above the phase transformation are due to;residual orthorhombic distortions that persist in the high-temperature;structure of lanthanum manganite. Results of the present theoretical;investigations supply additional information useful for both Raman and;infrared spectroscopies. In addition, they indicate that typical static;phonon calculations are insufficient to reproduce accurately;experimental magnitudes of these vibrational quantities of lanthanum;manganite that are determined to a large extent by dynamical effects.;0;0;0;0;0;1098-0121;WOS:000311536400002;;;J;Yan, Wei;Wubs, Martijn;Mortensen, N. Asger;Hyperbolic metamaterials: Nonlocal response regularizes broadband;supersingularity;PHYSICAL REVIEW B;86;20;205429;10.1103/PhysRevB.86.205429;NOV 27 2012;2012;We study metamaterials known as hyperbolic media that in the usual;local-response approximation exhibit hyperbolic dispersion and an;associated broadband singularity in the density of states. Instead, from;the more microscopic hydrodynamic Drude theory we derive qualitatively;different optical properties of these metamaterials, due to the;free-electron nonlocal optical response of their metal constituents. We;demonstrate that nonlocal response gives rise to a large-wavevector;cutoff in the dispersion that is inversely proportional to the Fermi;velocity of the electron gas, but also for small wavevectors we find;differences for the hyperbolic dispersion. Moreover, the size of the;unit cell influences effective parameters of the metamaterial even in;the deep subwavelength regime. Finally, instead of the broadband;supersingularity in the local density of states, we predict a large but;finite maximal enhancement proportional to the inverse cube of the Fermi;velocity.;Mortensen, Niels Asger/C-3592-2008; Wubs, Martijn/B-4934-2008;Mortensen, Niels Asger/0000-0001-7936-6264; Wubs,;Martijn/0000-0002-8286-7825;28;3;0;0;28;1098-0121;WOS:000311537400003;;;J;Yoneda, Y.;Kitanaka, Y.;Noguchi, Y.;Miyayama, M.;
7:2:97:7 Piezoelectric Response of Relaxor Solid Solution Na0.5Bi0.5TiO3-BaTiO3 Single Crystal Grown by Bridgman Method
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7:2:97:8 Aging and stress-dependent dielectric properties of multiferroic bismuth ferrite ceramics
DOI:10.1016/j.matlet.2011.12.010 JN:MATERIALS LETTERS PY:2012 TC:3 AU: Unruan, M.;Sareein, T.;Chandarak, S.;Hunpratub, S.;Thongbai, P.;Maensiri, S.;Yimnirun, R.;
7:2:97:9 Polarization switching and relaxation dynamics of bismuth layered ferroelectric thin films: Role of oxygen defect sites and crystallinity
DOI:10.1103/PhysRevB.84.094112 JN:PHYSICAL REVIEW B PY:2011 TC:1 AU: Lee, Ji Hye;Shin, Ran Hee;Jo, William;
7:2:98:1 Field induced changes in cycloidal spin ordering and coincidence between magnetic and electric anomalies in BiFeO3 multiferroic
DOI:10.1016/j.jmmm.2013.04.059 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:7 AU: Andrzejewski, B.;Molak, A.;Hilczer, B.;Budziak, A.;Bujakiewicz-Koronska, R.;
7:2:98:2 Resistance Switching Induced in BiMnO3 Ceramics
DOI:10.1080/00150193.2014.892815 JN:FERROELECTRICS PY:2014 TC:5 AU: Molak, A.;Ujma, Z.;Pilch, M.;Gruszka, I.;Pawelczyk, M.;
7:2:98:3 Resistivity switching induced in ferroelectric phase of PbTiO3 studied by XPS and electric conductivity tests
DOI:10.1016/j.jallcom.2013.10.103 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:8 AU: Pilch, M.;Molak, A.;
7:2:98:4 Adsorption-controlled growth of BiMnO3 films by molecular-beam epitaxy
DOI:10.1063/1.3457786 JN:APPLIED PHYSICS LETTERS PY:2010 TC:10 AU: Lee, J. H.;Ke, X.;Misra, R.;Ihlefeld, J. F.;Xu, X. S.;Mei, Z. G.;Heeg, T.;Roeckerath, M.;Schubert, J.;Liu, Z. K.;Musfeldt, J. L.;Schiffer, P.;Schlom, D. G.;
7:2:98:5 Room temperature ferromagnetic and ferroelectric properties of Bi1-xCaxMnO3 thin films
DOI:10.1063/1.4901184 JN:AIP ADVANCES PY:2014 TC:1 AU: Pugazhvadivu, K. S.;Balakrishnan, L.;Rao, G. Mohan;Tamilarasan, K.;
7:2:98:6 DOS Calculation for Stoichiometric and Oxygen Defected (Bi1/2Na1/2)(Mn1/2Nb1/2)O-3
DOI:10.1080/00150193.2014.891918 JN:FERROELECTRICS PY:2014 TC:1 AU: Bujakiewicz-Koronska, R.;Nalecz, D. M.;Molak, A.;Budziak, A.;
7:2:98:7 The Estimation of the Mn Atoms Chemical Bonding in (Na1-xBix)(Nb1-yMny)O-3 Ceramics and Changeover in the Electrical Properties
DOI:10.1080/00150193.2011.578544 JN:FERROELECTRICS PY:2011 TC:4 AU: Molak, A.;Lawniczak-Jablonska, K.;Nachimuthu, P.;Perera, R. C. C.;
7:2:98:8 Thermal Treatment Effects in PbTiO3 Crystals Studied by XPS and Electric Conductivity Tests
DOI:10.1080/00150193.2014.894866 JN:FERROELECTRICS PY:2014 TC:1 AU: Pilch, M.;Molak, A.;Szot, K.;
7:2:98:9 Investigations of Low Temperature Phase Transitions in BiFeO3 Ceramic by Infrared Spectroscopy
DOI:10.1080/00150193.2011.578495 JN:FERROELECTRICS PY:2011 TC:1 AU: Bujakiewicz-Koronska, R.;Hetmanczyk, L.;Garbarz-Glos, B.;Budziak, A.;Koronski, J.;Hetmanczyk, J.;Antonova, M.;Kalvane, A.;Nalecz, D.;
7:2:98:10 Effect of substrate and Ca doping on the properties of BiMnO3 thin films by RF magnetron sputtering
DOI:10.1016/j.matlet.2012.02.101 JN:MATERIALS LETTERS PY:2012 TC:2 AU: Pugazhvadivu, K. S.;Balakrishnan, L.;Tamilarasan, K.;
7:2:99:1 Improved dielectric and ferroelectric properties in Ti-doped BiFeO3-PbTiO3 thin films prepared by pulsed laser deposition
DOI:10.1016/j.tsf.2009.11.072 JN:THIN SOLID FILMS PY:2010 TC:13 AU: Chen, Ling;Ren, Wei;Zhu, Weimin;Ye, Zuo-Guang;Shi, Peng;Chen, Xiaofeng;Wu, Xiaoqing;Yao, Xi;
7:2:99:2 Microstructure development of BiFeO3-PbTiO3 films deposited by pulsed laser deposition on platinum substrates
DOI:10.1016/j.actamat.2013.11.043 JN:ACTA MATERIALIA PY:2014 TC:1 AU: Esat, Faye;Comyn, Tim P.;Bell, Andrew J.;
7:2:99:3 Impedance spectroscopy and dielectric properties of Ce and La substituted Pb0.7Sr0.39Fe0.012Ti0.988)O-3 nanoparticles
DOI:10.1016/j.jallcom.2011.01.144 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:10 AU: Verma, Kuldeep Chand;Ram, Mast;Singh, Jitender;Kotnala, R. K.;
7:2:99:4 Nanograins dependent dielectric constant, tunability, phase transition, impedance spectroscopy and leakage current of (Pb-1 (-) Sr-x(x))TiO3 thin films
DOI:10.1016/j.tsf.2009.10.011 JN:THIN SOLID FILMS PY:2010 TC:9 AU: Verma, Kuldeep Chand;Kotnala, R. K.;Verma, Vivek;Negi, N. S.;
7:2:99:5 Structural, Dielectric and Ferroelectric Properties of Ti-Modified 0.72BiFeO(3)-0.28PbTiO(3) Multiferroic Thin Films Prepared by Pulsed Laser Deposition
DOI:10.1080/00150193.2010.492058 JN:FERROELECTRICS PY:2011 TC:2 AU: Chen, Ling;Ren, Wei;Zhu, Weimin;Ye, Zuo-Guang;Shi, Peng;Chen, Xiaofeng;Wu, Xiaoqing;Yao, Xi;
7:2:99:6 Electric and Magnetic Properties of Bilayered Lead-Free Piezoelectric and Multiferroic Bi 0.9 Dy 0.1 FeO 3/K 0.5 Na 0.5 NbO 3 Thin Films
DOI:10.1111/j.1551-2916.2012.05279.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:1 AU: Chen, Ling;Ren, Wei;Ye, Zuo-Guang;Tian, Aifen;Wu, Xiaoqing;Shi, Peng;Chen, Xiaofeng;
7:2:99:7 Synthesis, structure and dielectric properties of (1-x)[0.9BiFeO(3)-0.1DyFeO(3)]-xPbTiO(3) pseudo-binary ceramics
DOI:10.1016/j.ceramint.2012.10.063 JN:CERAMICS INTERNATIONAL PY:2013 TC:6 AU: Zhuang, Jian;Chen, Ling;Ren, Wei;Ye, Zuo-Guang;
7:2:99:8 Spring like ferromagnetic behavior of xLi(0.5)Fe(2.5)O(4)-(1-x)SrFe2O4 nanoferrite thin films
DOI:10.1007/s11051-011-0491-z JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2011 TC:1 AU: Verma, Kuldeep Chand;Kotnala, R. K.;
7:2:99:9 Magnetoelectric coupling and relaxor ferroelectric properties of Pb0.7Sr0.3(Fe0.012Ti0.988)O-3 thin film
DOI:10.1016/j.scriptamat.2010.06.049 JN:SCRIPTA MATERIALIA PY:2010 TC:4 AU: Verma, Kuldeep Chand;Negi, N. S.;
7:2:99:10 The effect of post deposition anneal temperature on the structure of BiFeO3-PbTiO3 thin films
DOI:10.1016/j.tsf.2012.09.066 JN:THIN SOLID FILMS PY:2012 TC:0 AU: Bygrave, Faye;Comyn, Tim P.;Bell, Andrew J.;
7:2:100:1 Actual information storage with a recording density of 4 Tbit/in.(2) in a ferroelectric recording medium
DOI:10.1063/1.3463470 JN:APPLIED PHYSICS LETTERS PY:2010 TC:14 AU: Tanaka, Kenkou;Cho, Yasuo;
7:2:100:2 Resonances in ferroelectric phononic superlattice
DOI:10.1063/1.4757989 JN:APPLIED PHYSICS LETTERS PY:2012 TC:0 AU: Ostrovskii, Igor;Cremaldi, Lucien;
7:2:100:3 Stability of nano-scale ferroelectric domains in a LiNbO3 single crystal: The role of surface energy and polar molecule adsorption
DOI:10.1063/1.4711098 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Sun, X.;Su, Y. J.;Li, X.;Gao, K. W.;Qiao, L. J.;
7:2:100:4 Scanning nonlinear dielectric microscopy
DOI:10.1557/jmr.2011.219 JN:JOURNAL OF MATERIALS RESEARCH PY:2011 TC:14 AU: Cho, Yasuo;
7:2:100:5 Piezoelectric properties and surface potential behavior in LiNbO3 thin films grown by the radio frequency magnetron sputtering
DOI:10.1016/j.jallcom.2013.01.116 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:1 AU: Zhukov, R. N.;Bykov, A. S.;Kiselev, D. A.;Malinkovich, M. D.;Parkhomenko, Yu N.;
7:2:100:6 Lateral resolution improvement in scanning nonlinear dielectric microscopy by measuring super-higher-order nonlinear dielectric constants
DOI:10.1063/1.4766349 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Chinone, N.;Yamasue, K.;Hiranaga, Y.;Honda, K.;Cho, Y.;
7:2:100:7 Cross-sectional dopant profiling and depletion layer visualization of SiC power double diffused metal-oxide-semiconductor field effect transistor using super-higher-order nonlinear dielectric microscopy
DOI:10.1063/1.4893959 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Chinone, N.;Nakamura, T.;Cho, Y.;
7:2:100:8 Velocity dispersion of plate acoustic waves in a multidomain phononic superlattice
DOI:10.1103/PhysRevB.82.014302 JN:PHYSICAL REVIEW B PY:2010 TC:2 AU: Ostrovskii, I. V.;Nadtochiy, A. B.;Klymko, V. A.;
7:2:100:9 Intravascular ultrasound chirp imaging
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7:2:101:1 Structural, dielectric, and magnetic properties of La0.8Bi0.2Fe1-xMnxO3 (0.0 <= x <= 0.4) multiferroics
DOI:10.1063/1.3386527 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:12 AU: Anjum, G.;Kumar, Ravi;Mollah, S.;Shukla, D. K.;Kumar, Shalendra;Lee, C. G.;
7:2:101:2 Magneto-electric coupling in multiferroic La0.8Bi0.2Fe0.7Mn0.3O3 ceramic
DOI:10.1016/j.matlet.2010.06.019 JN:MATERIALS LETTERS PY:2010 TC:11 AU: Anjum, G.;Mollah, S.;Shukla, D. K.;Kumar, Ravi;
7:2:101:3 Heat capacity, thermopower and magnetoresistance effects in multiferroic La0.5Bi0.5Mn0.5Fe0.5O3
DOI:10.1007/s10853-013-7580-6 JN:JOURNAL OF MATERIALS SCIENCE PY:2013 TC:3 AU: Jha, V. K.;Nautiyal, Pranjal;Seikh, Md Motin;Chatterjee, R.;Mahendiran, R.;Kundu, Asish K.;
7:2:101:4 Photo-induced properties in BiFeO3 film
DOI:10.1016/j.matchemphys.2011.11.038 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:4 AU: Luo Bing-Cheng;Chen Chang-Le;Jin Ke-Xin;
7:2:101:5 Anomaly Diffuse and Dielectric Relaxation of Barium Titanate at High Temperatures
DOI:10.1080/00150193.2011.594735 JN:FERROELECTRICS PY:2011 TC:1 AU: Fan, Huiqing;Ren, Pengrong;
7:2:101:6 Enhanced Ferromagnetism of Ho, Mn co-Doped BiFeO3 Nanoparticles
DOI:10.1080/10584587.2013.778718 JN:INTEGRATED FERROELECTRICS PY:2013 TC:5 AU: Zhao, Shifeng;Yun, Qi;
7:2:101:7 Incoherent effect of Fe and Ni substitutions in the ferromagnetic-insulator La0.6Bi0.4MnO3+delta
DOI:10.1063/1.3646458 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Kundu, Asish K.;Seikh, Md. Motin;Srivastava, Akhilesh;Mahajan, S.;Chatterjee, R.;Pralong, V.;Raveau, B.;
7:2:101:8 Polaronic relaxation in La0.8Bi0.2Fe0.7Mn0.3O3
DOI:10.1016/j.matchemphys.2012.03.022 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:1 AU: Xu, K. B.;Wang, C. C.;Zhang, M. N.;Wang, G. J.;Cui, Y. M.;
7:2:101:9 Effect of Zn doping on structural, magnetic and dielectric properties of LaFeO3 synthesized through sol-gel auto-combustion process
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7:2:102:1 Anomalous magnetic behavior below 10 K in YCrO3 nanoparticles obtained under droplet confinement
DOI:10.1063/1.4826503 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Singh, Inderjeet;Nigam, A. K.;Landfester, Katharina;Munoz-Espi, Rafael;Chandra, Amreesh;
7:2:102:2 Stabilization of dielectric anomaly near the magnetic phase transition in Ca2+ doped BiFeO3 multifunctional ceramics
DOI:10.1016/j.jallcom.2013.02.095 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:15 AU: Tirupathi, Patri;Chandra, Amreesh;
7:2:102:3 Complex GdSc1-xInxO3 Oxides: Synthesis and Structure Driven Tunable Electrical Properties
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7:2:102:4 Tunable perpendicular magnetic anisotropy in GdFeCo amorphous films
DOI:10.1016/j.jmmm.2013.03.007 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:6 AU: Ding, Manli;Poon, S. Joseph;
7:2:102:5 Structural and photoluminescent properties of Al2O3: Cr3+ nanoparticles via solution combustion synthesis method
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7:2:102:6 Magnetism and infrared magnetotransmission of Nd0.5Sr0.5MnO3 manganite in nanostate
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7:2:103:1:1 A quantitative acoustic emission study on fracture processes in ceramics based on wavelet packet decomposition
DOI:10.1063/1.4893723 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Ning, J. G.;Chu, L.;Ren, H. L.;
7:2:103:1:2 A scaling law for the dynamic strength of brittle solids
DOI:10.1016/j.actamat.2013.02.045 JN:ACTA MATERIALIA PY:2013 TC:12 AU: Kimberley, J.;Ramesh, K. T.;Daphalapurkar, N. P.;
7:2:103:1:3 Quantification of failure mechanisms in mode-I loading of fiber reinforced plastics utilizing acoustic emission analysis
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7:2:103:1:4 Acoustic emission characterization of fracture toughness for fiber reinforced ceramic matrix composites
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7:2:103:2:1:1 A progressive damage simulation algorithm for GFRP composites under cyclic loading. Part II: FE implementation and model validation
DOI:10.1016/j.compscitech.2011.01.025 JN:COMPOSITES SCIENCE AND TECHNOLOGY PY:2011 TC:6 AU: Eliopoulos, Elias N.;Philippidis, Theodore P.;
7:2:103:2:1:2 A progressive damage simulation algorithm for GFRP composites under cyclic loading. Part I: Material constitutive model
DOI:10.1016/j.compscitech.2011.01.023 JN:COMPOSITES SCIENCE AND TECHNOLOGY PY:2011 TC:4 AU: Eliopoulos, Elias N.;Philippidis, Theodore P.;
7:2:103:2:1:3 Damage quantification in polymer composites using a hybrid NDT approach
DOI:10.1016/j.compscitech.2013.04.013 JN:COMPOSITES SCIENCE AND TECHNOLOGY PY:2013 TC:10 AU: Cuadra, Jefferson;Vanniamparambil, Prashanth A.;Hazeli, Kavan;Bartoli, Ivan;Kontsos, Antonios;
7:2:103:2:2:1 Crack Growth Monitoring in Ceramic Matrix Composites by Combined Infrared Thermography and Acoustic Emission
DOI:10.1111/jace.12592 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:4 AU: Dassios, Konstantinos G.;Kordatos, Evangelos Z.;Aggelis, Dimitris G.;Matikas, Theodore E.;
7:2:103:2:2:2 Real-time evaluation of energy attenuation: A novel approach to acoustic emission analysis for damage monitoring of ceramic matrix composites
DOI:10.1016/j.jeurceramsoc.2013.12.041 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:5 AU: Maillet, E.;Godin, N.;R'Mili, M.;Reynaud, P.;Fantozzi, G.;Lamon, J.;
7:2:103:2:2:3 Analysis of Acoustic Emission energy release during static fatigue tests at intermediate temperatures on Ceramic Matrix Composites: Towards rupture time prediction
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7:2:103:3:1 Acoustic emission and changes in dislocation structure and magnetostriction accompanying plastic deformation of [126]-oriented Fe-Ga alloy single crystals
DOI:10.1063/1.4846815 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Saha, B.;Ramanathan, M.;Ren, C.;Appusamy, K.;McCarter, M. K.;Guruswamy, S.;Cook, R.;Miller, D. J.;
7:2:103:3:2 Influence of plastic deformation on the magnetostrictive behavior of [126]-oriented Fe-Ga alloy single crystals
DOI:10.1063/1.3686680 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Saha, Biswadeep;Ramanathan, Meenakshisundaram;Ren, Chai;Guruswamy, Sivaraman;
7:2:104:1 Impact of electrostatic forces in contact-mode scanning force microscopy
DOI:10.1103/PhysRevB.81.094109 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Johann, F.;Hoffmann, A.;Soergel, E.;
7:2:104:2 Large-area regular nanodomain patterning in He-irradiated lithium niobate crystals
DOI:10.1088/0957-4484/22/28/285309 JN:NANOTECHNOLOGY PY:2011 TC:7 AU: Ofan, A.;Lilienblum, M.;Gaathon, O.;Sehrbrock, A.;Hoffmann, A.;Bakhru, S.;Bakhru, H.;Irsen, S.;Osgood, R. M., Jr.;Soergel, E.;
7:2:104:3 Determination of the effective coercive field of ferroelectrics by piezoresponse force microscopy
DOI:10.1063/1.3624802 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Lilienblum, M.;Soergel, E.;
7:2:104:4 Low-voltage nanodomain writing in He-implanted lithium niobate crystals
DOI:10.1063/1.3319839 JN:APPLIED PHYSICS LETTERS PY:2010 TC:6 AU: Lilienblum, M.;Ofan, A.;Hoffmann, A.;Gaathon, O.;Vanamurthy, L.;Bakhru, S.;Bakhru, H.;Osgood, R. M., Jr.;Soergel, E.;
7:2:104:5 Kinetics of linear domains in LiNbO3 single crystals polarized by scanning probe microscopy
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7:2:104:6 Poling-inhibited ridge waveguides in lithium niobate crystals
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7:2:104:7 Quantification of electromechanical coupling measured with piezoresponse force microscopy
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7:2:104:8 Decay properties of artificial two-domain structures in LiNbO3 crystals studied by scanning probe microscope
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7:2:105:1 Epitaxial Patterning of Bi2FeCrO6 Double Perovskite Nanostructures: Multiferroic at Room Temperature
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7:2:105:2 Single-crystalline BiFeO3 nanowires and their ferroelectric behavior
DOI:10.1063/1.4766343 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Li, Shun;Nechache, Riad;Harnagea, Catalin;Nikolova, Liliya;Rosei, Federico;
7:2:105:3 High-frequency electromagnetic properties of epitaxial Bi2FeCrO6 thin films grown by pulsed laser deposition
DOI:10.1063/1.3657528 JN:APPLIED PHYSICS LETTERS PY:2011 TC:4 AU: Aissa, Brahim;Nechache, Riad;Therriault, Daniel;Rosei, Federico;Nedil, Mourad;
7:2:105:4 Controlling magnetism of multiferroic (Bi0.9La0.1)(2)FeCrO6 thin films by epitaxial and crystallographic orientation strain
DOI:10.1063/1.4807129 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Khare, Amit;Singh, Abhishek;Prabhu, S. S.;Rana, D. S.;
7:2:105:5 Promising ferrimagnetic double perovskite oxides towards high spin polarization at high temperature
DOI:10.1063/1.4775352 JN:AIP ADVANCES PY:2013 TC:1 AU: Li, Si-Da;Chen, Peng;Liu, Bang-Gui;
7:2:106:1 Origin of suppressed polarization in BiFeO3 films
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7:2:106:2 Strain effect on the surface potential and nanoscale switching characteristics of multiferroic BiFeO3 thin films
DOI:10.1063/1.3698155 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Yan, F.;Miao, S.;Zhu, T. J.;Lai, M. O.;Lu, L.;
7:2:106:3 Ferroelectric domain switching investigation of BiFeO3 thin film on Pt/Ti/SiO2/Si (111) substrate
DOI:10.1016/j.apsusc.2012.04.051 JN:APPLIED SURFACE SCIENCE PY:2012 TC:9 AU: Fan, Fei;Luo, Bingcheng;Duan, Mengmeng;Xing, Hui;Jin, Kexin;Chen, Changle;
7:2:106:4 The investigation of (Bi,La)(Ga,Fe)O-3-PbTiO3 thin film prepared by PLD technique
DOI:10.1016/j.mseb.2011.10.019 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2012 TC:1 AU: Yu, Shengwen;Sun, Dongmei;Yang, Wufeng;Cheng, Jinrong;
7:2:107:1 Kelvin probe force microscopy and electrostatic force microscopy responses to the polarization in a ferroelectric thin film: Theoretical and experimental investigations
DOI:10.1063/1.4812393 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Cuniot-Ponsard, M.;
7:2:107:2 Landau-Ginzburg-Devonshire theory for electromechanical hysteresis loop formation in piezoresponse force microscopy of thin films
DOI:10.1063/1.3623763 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:9 AU: Morozovska, A. N.;Eliseev, E. A.;Bravina, S. L.;Kalinin, S. V.;
7:2:107:3 Anomalous domain inversion in LiNbO3 single crystals investigated by scanning probe microscopy
DOI:10.1063/1.3623775 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Lilienblum, M.;Soergel, E.;
7:2:107:4 Top electrode size effect on hysteresis loops in piezoresponse force microscopy of Pb(Zr,Ti)O-3-film on silicon structures
DOI:10.1063/1.4746028 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Bravina, S. L.;Morozovsky, N. V.;Eliseev, E. A.;Morozovska, A. N.;Costecalde, J.;Soyer, C.;Remiens, D.;Deresmes, D.;
7:2:107:5 Path-related unexpected injection charges in BaTiO3 ferroelectric thin films studied by Kelvin force microscopy
DOI:10.1063/1.3499749 JN:APPLIED PHYSICS LETTERS PY:2010 TC:2 AU: Guo, Huifen;Cheng, Gang;Wang, Shujie;Dai, Shuxi;Wu, Sixin;Zhou, Shaomin;Li, Yuncai;Du, Zuliang;
7:2:108:1 Probing Ferroelectrics Using Optical Second Harmonic Generation
DOI:10.1111/j.1551-2916.2011.04740.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:24 AU: Denev, Sava A.;Lummen, Tom T. A.;Barnes, Eftihia;Kumar, Amit;Gopalan, Venkatraman;
7:2:108:2 Photoinduced stabilization and enhancement of the ferroelectric polarization in Ba0.1Sr0.9TiO3/La0.7Ca(Sr)(0.3)MnO3 thin film heterostructures
DOI:10.1103/PhysRevB.88.020101 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Sheu, Y. M.;Trugman, S. A.;Yan, L.;Chuu, C.-P.;Bi, Z.;Jia, Q. X.;Taylor, A. J.;Prasankumar, R. P.;
7:2:108:3 Domain structure analysis of Pb(Zn1/3Nb2/3)O-3-9% PbTiO3 single crystals using optical second harmonic generation microscopy
DOI:10.1103/PhysRevB.82.184116 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Kaneshiro, Junichi;Uesu, Yoshiaki;
7:2:108:4 Rectifying characteristic of perovskite oxide La1.89Ce0.11CuO4/Ba0.5Sr0.5TiO3/La0.67Sr0.33MnO3 heterostructures
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7:2:108:5 Effects of ZnO film thickness on electrical and magnetoresistance characteristics of La0.8Sr0.2MnO3/ZnO heterostructures
DOI:10.1016/j.jmmm.2010.04.006 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:5 AU: Feng, Yuchun;Zhang, Ming;
7:2:109:1 Origin of piezoelectric response under a biased scanning probe microscopy tip across a 180 degrees ferroelectric domain wall
DOI:10.1103/PhysRevB.86.134115 JN:PHYSICAL REVIEW B PY:2012 TC:7 AU: Lei, Shiming;Eliseev, Eugene A.;Morozovska, Anna N.;Haislmaier, Ryan C.;Lummen, Tom T. A.;Cao, W.;Kalinin, Sergei V.;Gopalan, Venkatraman;
7:2:109:2 Comment on 'Origin of piezoelectric response under a biased scanning probe microscopy tip across a 180 degrees ferroelectric domain wall' Reply
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7:2:109:3 Background-free piezoresponse force microscopy for quantitative measurements
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7:2:109:4 Comment on "Origin of piezoelectric response under a biased scanning probe microscopy tip across a 180 degrees ferroelectric domain wall"
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7:2:109:5 Lateral signals in piezoresponse force microscopy at domain boundaries of ferroelectric crystals
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7:2:109:6 Origin of piezoelectric response under a biased scanning probe microscopy tip across a 180 degrees ferroelectric domain wall (vol 86, 134115, 2012)
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7:2:110:1 Surface-induced piezomagnetic, piezoelectric, and linear magnetoelectric effects in nanosystems
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7:2:110:2 Nanovoid growth in nanocrystalline metal by dislocation shear loop emission
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7:2:110:3 Atomistic elucidation of the effect of surface roughness on curvature-dependent surface energy, surface stress, and elasticity
DOI:10.1063/1.3695069 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Mohammadi, P.;Sharma, P.;
7:2:110:4 Complete Symmetry Analyses of the Surface-Induced Piezomagnetic, Piezoelectric and Linear Magnetoelectric Effects
DOI:10.1080/00150193.2011.578503 JN:FERROELECTRICS PY:2011 TC:2 AU: Eliseev, E. A.;
7:2:110:5 On the Symmetry Analysis of Surface Induced Effects
DOI:10.1080/00150193.2014.875448 JN:FERROELECTRICS PY:2014 TC:0 AU: Litvin, Daniel B.;
7:2:110:6 Numerical simulations of void growth in aluminum alloy AA5083 during elevated temperature deformation
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7:2:111:1 Ferroelectric domains in epitaxial PbTiO3 films on LaAlO3 substrate investigated by piezoresponse force microscopy and far-infrared reflectance
DOI:10.1063/1.3651510 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:8 AU: Simon, E.;Borodavka, F.;Gregora, I.;Nuzhnyy, D.;Kamba, S.;Hlinka, J.;Bartasyte, A.;Margueron, S.;
7:2:111:2 Enhancement on effective piezoelectric coefficient d(33) of Bi3.15Dy0.85Ti3O12 ferroelectric thin films
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7:2:111:3 Soft-mode spectroscopy of epitaxial BaTiO3/SrTiO3 superlattices
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7:2:111:4 Nanoscale domain switchings of Bi3.15Dy0.85Ti3O12 thin film under the simultaneous application of polarizing voltage and loading force
DOI:10.1063/1.4775400 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Zhu, Z.;Zheng, X. J.;Yang, Z. C.;Qu, S.;
7:2:111:5 Annealing temperature dependence of effective piezoelectric coefficients for Bi3.15Eu0.85Ti3O12 thin films
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7:2:111:6 Ferroelectric behavior of bismuth titanate thin films grown via magnetron sputtering
DOI:10.1016/j.ceramint.2014.04.017 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Bedoya-Hincapie, C. M.;Restrepo-Parra, E.;Olaya-Florez, J. J.;Alfonso, J. E.;Flores-Ruiz, F. J.;Espinoza-Beltran, F. J.;
7:2:111:7 Infrared Spectroscopy of Nanoscopic Epitaxial BaTiO3/SrTiO3 Superlattices
DOI:10.1080/10584587.2012.677590 JN:INTEGRATED FERROELECTRICS PY:2012 TC:0 AU: Zelezny, V.;Soukiassian, A.;Xi, X. X.;Schlom, D. G.;Hlinka, J.;Kadlec, C.;Nakhmanson, S. M.;
7:2:111:8 The threshold electric field of 180 degrees domain switching in the misfit strain-external electric field phase diagram
DOI:10.1063/1.3610425 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Zhu, Z.;Zheng, X. J.;Jiang, D. D.;Yang, Z. C.;
7:2:111:9 Enhancement on effective piezoelectric coefficient of Bi3 25Eu0 75Ti3O12 ferroelectric thin films under moderate annealing temperature
DOI:10.1016/j.tsf.2010.08.130 JN:THIN SOLID FILMS PY:2010 TC:0 AU: Zheng, X. J.;Peng, J. F.;Chen, Y. Q.;He, L.;Feng, X.;Zhang, D. Z.;Gong, L. J.;Wu, Q. Y.;
7:2:112:1 Investigation of the structural, optical and dielectric properties of highly (100)-oriented (Pb0.60Ca0.20Sr0.20)TiO3 thin films on LaNiO3 bottom electrode
DOI:10.1016/j.mseb.2014.02.020 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2014 TC:0 AU: Pontes, D. S. L.;Pontes, F. M.;Chiquito, A. J.;Longo, E.;
7:2:112:2 Improvement of the fatigue and the ferroelectric properties of PZT films through a LSCO seed layer
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7:2:112:3 Enhancement of epitaxial LaNiO3 electrode on the ferroelectric property of La-doped BiFeO3/SrTiO3 artificial superlattice structure by rf sputtering
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7:2:112:4 Polarization Fatigue of NiCr/PZT/BaPbO3 Capacitors on Platinized Silicon Wafers
DOI:10.1080/00150193.2010.483381 JN:FERROELECTRICS PY:2010 TC:1 AU: Suchaneck, G.;Gerlach, G.;
7:2:112:5 Reactive magnetron sputtering from a composite target for large area BaPbO3 thin film electrode
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7:2:112:6 Effect of the electrode structure on the electrical properties of alkoxide derived ferroelectric thin film
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7:2:113:1 Microstructure and Relaxor Behavior of Dense Fine-Grain FeTiTaO6 Ceramics
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7:2:113:2 Low-temperature polaronic relaxations with variable range hopping conductivity in FeTiMO6 (M = Ta,Nb,Sb)
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7:2:113:3 Novel Near-Room-Temperature Type I Multiferroic: Pb(Fe0.5Ti0.25W0.25)O-3 with Coexistence of Ferroelectricity and Weak Ferromagnetism
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7:2:113:4 Simultaneously improved magnetization and polarization in BiFeO3 based multiferroic composites
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7:2:113:5 Room-temperature dielectric relaxation and magnetic properties in rutile-type FeTiNbO6
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7:2:113:6 Comparative studies of ferroelectric behavior in rutile type FeTiTaO6 and AlTiTaO6
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7:2:113:7 Magnetic and ferroelectric properties of PbFe1/2Nb1/2O3 synthesized by a solution precipitation method
DOI:10.1016/j.jallcom.2010.05.153 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:3 AU: Bochenek, D.;
7:2:114:1 Multiferroicity in 0.7Pb(Zr0.52Ti0.48)O-3-0.3Pb(Ni1/3Nb2/3)O-3 ceramics
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7:2:114:2 Systematic variations in structural and electronic properties of BiFeO3 by A-site substitution
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7:2:114:3 Engineering polarization rotation in ferroelectric bismuth titanate
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7:2:114:4 Thermodynamics of multiferroic BiFeO3: Applications for the deposition of BiFeO3 thin films
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7:2:114:5 Pyrochlore-Free Pb(Ni1/3Nb2/3)O-3-PbTiO3 Ceramics with Superior Piezoelectric Properties Synthesized Using an Optimized Polyethylene Glycol-Assisted Solid-State Reaction
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7:2:114:6 Enhanced Unipolar Fatigue Resistance in Ferroelectric Pb(Ni1/3Nb2/3O3)-PbTiO3 Ceramics Prepared via Glycerol-Assisted Solid-State Reaction
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7:2:114:7 Pyrochlore-Free Ferroelectric 0.64Pb(Ni1/3Nb2/3)O-3-0.36PbTiO(3) Ceramics Synthesized by the Combustion Method
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7:2:115:1 Multiferroic based reddish brown pigments: Bi1-xMxFeO3 (M=Y and La) for coloring applications
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7:2:115:2 Synthesis and optical properties of Ce0.95Pr0.05-xMxO2 (M = Mn, Si) as potential ecological red pigments for coloration of plastics
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7:2:115:3 Influence of La Doping on Magnetic and Optical Properties of Bismuth Ferrite Nanofibers
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7:2:115:4 Tunable atomic termination in nano-necklace BiFeO3
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7:2:115:5 Red Pigments Based on CeO2-MO2-Pr6O11 (M=Zr and Sn): Solid Solutions for the Coloration of Plastics
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7:2:115:6 Ferromagnetic and photocatalytic behaviors observed in Ca-doped BiFeO3 nanofibres
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7:2:115:7 Red ceramic pigments of terbium-doped ceria prepared through classical and non-conventional coprecipitation routes
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7:2:115:8 Y-Doped Bi2MoO6 Yellow Pigments for the Coloration of Plastics
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7:2:116:1:1 Modeling of dielectric and piezoelectric response of 1-3 type piezocomposites
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7:2:116:1:2 Viscoelastic modeling and experimental characterization of thermo-electromechanical response of 1-3 piezocomposites
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7:2:116:1:3 A micromechanical formulation for piezoelectric fiber composites with nonlinear and viscoelastic constituents
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7:2:116:1:4 Nonlinear electromechanical coupling behavior of 1-3 piezoelectric composites
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7:2:116:1:5 A thermodynamically motivated model for ferroelectric ceramics with grain boundary effects
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7:2:116:2:1 An analytical model for predicting thermo-electro-mechanical response of 1-3 piezoelectric composites
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7:2:116:2:2 An analytical model for predicting the effective properties of magneto-electro-elastic (MEE) composites
DOI:10.1016/j.commatsci.2012.07.003 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2012 TC:2 AU: Pakam, Naresh;Arockiarajan, A.;
7:2:116:2:3 A hierarchical multiscale approach for predicting thermo-electro-mechanical behavior of heterogeneous piezoelectric smart materials
DOI:10.1016/j.commatsci.2014.01.059 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2014 TC:0 AU: Lv, Jun;Yang, Kai;Zhang, Hongwu;Yang, Dongsheng;Huang, Yi;
7:2:117:1 Local temperature measurements on nanoscale materials using a movable nanothermocouple assembled in a transmission electron microscope
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7:2:117:2 A novel nano-scale non-contact temperature measurement technique for crystalline materials
DOI:10.1088/0957-4484/23/46/465707 JN:NANOTECHNOLOGY PY:2012 TC:2 AU: Wu, Xiaowei;Hull, Robert;
7:2:117:3 The material dependence of temperature measurement resolution in thermal scanning electron microscopy
DOI:10.1063/1.4798285 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Wu, Xiaowei;Hull, Robert;
7:2:117:4 Quantification of electron-phonon scattering for determination of temperature variations at high spatial resolution in the transmission electron microscope
DOI:10.1088/0957-4484/23/20/205705 JN:NANOTECHNOLOGY PY:2012 TC:3 AU: He, Li;Hull, Robert;
7:2:117:5 Local conductivity and electric field analysis of Ag-based conductive adhesive by transmission electron microscopy
DOI:10.1063/1.3305637 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:3 AU: Kawamoto, N.;Murakami, Y.;Shindo, D.;
7:2:117:6 Transmission Electron Microscopy Study on Microstructure of Ag-Based Conductive Adhesives
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7:2:118:1 Piezoresponse behavior of niobium doped bismuth ferrite thin films grown by chemical method
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7:2:118:2 Effects of Mn substitution on ferro- and piezoelectric properties of Bi0.86Sm0.14FeO3 thin films
DOI:10.1016/j.jallcom.2011.01.017 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:9 AU: Yin, Zaimei;Liu, Jingjing;Hu, Guangda;Wu, Weibing;Yang, Changhong;
7:2:118:3 High and tunable piezoelectric coefficients in 0.675Pb(Mg1/3Nb2/3)O-3-0.325PbTiO(3) ceramics
DOI:10.1016/j.materresbull.2012.05.053 JN:MATERIALS RESEARCH BULLETIN PY:2012 TC:0 AU: Venet, Michel;Zabotto, Fabio Luis;Eiras, Jose Antonio;Garcia, Ducinei;
7:2:118:4 Enhanced ferro-and piezoelectric properties of a sol-gel derived BiFe0.95Mn0.05O3 thin film on Bi2O3-buffered Pt/Ti/SiO2/Si substrate
DOI:10.1016/j.jcrysgro.2011.10.010 JN:JOURNAL OF CRYSTAL GROWTH PY:2012 TC:7 AU: Li, Dehui;Sun, Xiaoqiang;Chuai, Xiaohong;Wu, Zhifa;Cao, Zijian;Yan, Yunfei;Zhang, Daming;
7:2:119:1:1 Unusual Urbach tail in TlGaSe2 ferroelectric-semiconductor with incommensurate phase
DOI:10.1063/1.4765736 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Seyidov, MirHasan Yu;Suleymanov, Rauf A.;Sale, Yasin;
7:2:119:1:2 Anisotropy of band gap absorption in TlGaSe2 semiconductor by ferroelectric phase transformation
DOI:10.1063/1.4904884 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Gulbinas, Karolis;Grivickas, Vytautas;Gavryushin, Vladimir;
7:2:119:1:3 Memory effect and new polarized state in the incommensurate phase of TlGaSe2 ferroelectric-semiconductor
DOI:10.1063/1.3606465 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Seyidov, MirHasan Yu.;Suleymanov, Rauf A.;Yakar, Emin;Sahin, Yasin;Acikgoz, Muhammed;
7:2:119:1:4 Enhanced excitonic photoconductivity due to built-in internal electric field in TlGaSe2 layered semiconductor
DOI:10.1063/1.4903051 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Seyidov, MirHasan Yu.;Suleymanov, Rauf A.;Sale, Yasin;Balaban, Ertan;
7:2:119:2:1 Crystal structure of Yb2CuGe6 and Yb3Cu4Ge4 and the valency of ytterbium
DOI:10.1016/j.jallcom.2013.11.224 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:8 AU: Peter, Sebastian C.;Subbarao, Udumula;Sarkar, Sumanta;Vaitheeswaran, G.;Svane, Axel;Kanatzidis, Mercouri G.;
7:2:119:2:2 Anomalous Thermal Expansion in the Square-Net Compounds RE4TGe8 (RE = Yb, Gd; T = Cr-Ni, Ag)
DOI:10.1021/ja204971n JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2011 TC:13 AU: Peter, Sebastian C.;Chondroudi, Maria;Malliakas, Christos D.;Balasubramanian, Mahalingam;Kanatzidis, Mercouri G.;
7:2:119:2:3 Yb4LiGe4 - A Yb mixed valent Zintl phase with strong electronic correlations
DOI:10.1016/j.jallcom.2011.11.148 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:8 AU: Peter, Sebastian C.;Disseler, Steven M.;Svensson, J. Niclas;Carretta, Pietro;Graf, Michael J.;
7:2:119:2:4 Magnetic and transport properties of single-crystal Yb3Cu4Ge4
DOI:10.1016/j.jmmm.2012.04.044 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:1 AU: Katoh, Kenichi;Maeda, Masafumi;Matsuda, Saori;Ochiai, Akira;
7:2:119:3:1 Charge disproportionation in TlGaSe2 crystals detected by dielectric spectroscopy
DOI:10.1063/1.3486219 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Seyidov, MirHasan Yu;Suleymanov, Rauf A.;Bakis, Yakub;Salehli, Ferid;
7:2:119:3:2 Negative thermal expansion due to negative area compressibility in TlGaSe2 semiconductor with layered crystalline structure
DOI:10.1063/1.3486211 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:11 AU: Seyidov, MirHasan Yu.;Suleymanov, Rauf A.;
7:2:120:1 Pyroelectric scanning probe microscopy: A method for local measurement of the pyroelectric effect in ferroelectric thin films
DOI:10.1103/PhysRevB.82.054112 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Groten, J.;Zirkl, M.;Jakopic, G.;Leitner, A.;Stadlober, B.;
7:2:120:2 Polarization imaging in ferroelectric polymer thin film capacitors by pyroelectric scanning microscopy
DOI:10.1063/1.4875960 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Song, Jingfeng;Lu, Haidong;Gruverman, Alexei;Ducharme, S.;
7:2:120:3 Polarization patterning by laser-induced phase change in ferroelectric polymer films
DOI:10.1007/s00339-011-6329-9 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2011 TC:1 AU: Othon, C. M.;Ducharme, Stephen;
7:2:120:4 A self-sustaining micro thermomechanic-pyroelectric generator
DOI:10.1063/1.3633350 JN:APPLIED PHYSICS LETTERS PY:2011 TC:15 AU: Ravindran, S. K. T.;Huesgen, T.;Kroener, M.;Woias, P.;
7:2:120:5 Electrostatic force microscopy as a broadly applicable method for characterizing pyroelectric materials
DOI:10.1088/0957-4484/23/23/235701 JN:NANOTECHNOLOGY PY:2012 TC:1 AU: Martin-Olmos, Cristina;Stieg, Adam Z.;Gimzewski, James K.;
7:2:121:1 Size effect in ferroelectrics: Competition between geometrical and crystalline symmetries
DOI:10.1103/PhysRevB.83.014104 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Wang, Jin;Tagantsev, Alexander K.;Setter, Nava;
7:2:121:2 Switching Properties of Nano-Scale Multi-Axial Ferroelectrics: Geometry and Interface Effects
DOI:10.1080/10584587.2012.663617 JN:INTEGRATED FERROELECTRICS PY:2012 TC:6 AU: Baudry, Laurent;Luk'yanchuk, Igor A.;Sene, Anais;
7:2:121:3 Dependence of Curie temperature on the thickness of an ultrathin ferroelectric film
DOI:10.1103/PhysRevB.81.064105 JN:PHYSICAL REVIEW B PY:2010 TC:5 AU: Almahmoud, Emad;Kornev, Igor;Bellaiche, L.;
7:2:121:4 Pressure effect on the ferroelectric phase transition in nanosized NH4HSO4
DOI:10.1063/1.4742017 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Cizman, Agnieszka;Marciniszyn, Tomasz;Poprawski, Ryszard;
7:2:121:5 Polarization vortex domains induced by switching electric field in ferroelectric films with circular electrodes
DOI:10.1103/PhysRevB.90.024102 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Baudry, Laurent;Sene, Anais;Luk'yanchuk, Igor A.;Lahoche, Laurent;Scott, James F.;
7:2:121:6 Monte Carlo Investigation of Critical Properties of Ferroelectric Films: The DIFFOUR Hamiltonian Framework
DOI:10.1080/00150193.2011.594004 JN:FERROELECTRICS PY:2011 TC:0 AU: Laosiritaworn, Yongyut;Kanchiang, Kanokwan;Yimnirun, Rattikorn;
7:2:121:7 Phase transition and anisotropic conductivity in guanidine zinc sulfate crystals
DOI:10.1016/j.ssi.2011.05.021 JN:SOLID STATE IONICS PY:2011 TC:4 AU: Czapla, Z.;Komar, J.;Marciniszyn, T.;Poprawski, R.;
7:2:122:1 Density functional calculations of the structural, electronic, and ferroelectric properties of high-k titanate Re2Ti2O7 (Re=La and Nd)
DOI:10.1063/1.3459891 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:13 AU: Bruyer, Emilie;Sayede, Adlane;
7:2:122:2 Ab initio study of metastable layered perovskites R2Ti2O7 (R = Sm and Gd)
DOI:10.1103/PhysRevB.86.125136 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Sayede, Adlane;Bruyer, Emilie;Springborg, Michael;
7:2:122:3 Electronic and optical properties of layered RE2Ti2O7 (RE = Ce and Pr) from first principles
DOI:10.1063/1.4803124 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Sayede, A.;Khenata, R.;Chahed, A.;Benhelal, O.;
7:2:122:4 Lanthanum titanium perovskite compound: Thin film deposition and high frequency dielectric characterization
DOI:10.1016/j.tsf.2013.11.124 JN:THIN SOLID FILMS PY:2014 TC:1 AU: Le Paven, C.;Lu, Y.;Nguyen, H. V.;Benzerga, R.;Le Gendre, L.;Rioual, S.;Benzegoutta, D.;Tessier, F.;Chevire, F.;Sharaiha, A.;Delaveaud, C.;Castel, X.;
7:2:122:5 Termination effects in electric field polarization of periodic quasi-one-dimensional systems
DOI:10.1103/PhysRevB.82.165442 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Springborg, Michael;Tevekeliyska, Violina;Kirtman, Bernard;
7:2:122:6 Piezoelectric and dielectric properties of Ce substituted La2Ti2O7 ceramics
DOI:10.1016/j.jeurceramsoc.2012.11.015 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:7 AU: Gao, Z. P.;Yan, H. X.;Ning, H. P.;Wilson, R.;Wei, X. Y.;Shi, B.;Ye, H.;Reece, M. J.;
7:2:123:1 Effect of deposition temperature on surface morphology and magnetic properties in epitaxial CoFe2O4 thin films deposited by metal organic chemical vapor deposition
DOI:10.1063/1.3312011 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:11 AU: Pan, M.;Bai, G.;Liu, Y.;Hong, S.;Dravid, V. P.;Petford-Long, A. K.;
7:2:123:2 Structure-property relationships in self-assembled metalorganic chemical vapor deposition-grown CoFe2O4-PbTiO3 multiferroic nanocomposites using three-dimensional characterization
DOI:10.1063/1.3615888 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Pan, Mengchun;Liu, Yuzi;Bai, Guoren;Hong, Seungbum;Dravid, Vinayak P.;Petford-Long, Amanda K.;
7:2:123:3 Microstructure and magnetic properties of a novel spinel (Zn,Co)Fe2O4 thin film on the SrTiO3 substrate
DOI:10.1016/j.jcrysgro.2010.09.077 JN:JOURNAL OF CRYSTAL GROWTH PY:2010 TC:1 AU: Wang, Yan;Li, D. F.;Dai, J. Y.;
7:2:124:1 Thickness dependent magnetic properties of BiFeO3 thin films prepared by pulsed laser deposition
DOI:10.1016/j.matlet.2011.05.060 JN:MATERIALS LETTERS PY:2011 TC:7 AU: Raghavender, A. T.;Nguyen Hoa Hong;Park, Chulkwon;Jung, Myung-Hwa;Lee, Kyu Joon;Lee, Daesu;
7:2:124:2 Thickness-dependent structural and magnetic properties of BiFeO3 films prepared by metal organic decomposition method
DOI:10.1063/1.3519986 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Huang, Fengzhen;Lu, Xiaomei;Lin, Weiwei;Kan, Yi;Zhang, Junting;Chen, Qingdong;Wang, Zhe;Li, Liben;Zhu, Jinsong;
7:2:124:3 Electronic Structure of BiFe1-xMnxO3 Thin Films Investigated by X-Ray Absorption Spectroscopy
DOI:10.1155/2012/123438 JN:JOURNAL OF NANOMATERIALS PY:2012 TC:1 AU: Ablat, Abduleziz;Muhemmed, Emin;Si, Cheng;Wang, Jiaou;Qian, Haijie;Wu, Rui;Zhang, Nian;Wu, Rong;Ibrahim, Kurash;
7:2:124:4 The influence of epitaxial strain on magnetic and electrical properties of BiFeO3 thin films
DOI:10.1016/j.tsf.2009.12.075 JN:THIN SOLID FILMS PY:2010 TC:1 AU: Kartavtseva, M. S.;Gorbenko, O. Yu;Kaul, A. R.;Murzina, T. V.;
7:2:125:1 Dielectric and ferroelectric properties and electric conductivity of sol-gel derived PBZT ceramics
DOI:10.1016/j.jallcom.2011.02.046 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:9 AU: Bochenek, D.;Skulski, R.;Wawrzala, P.;Brzezinska, D.;
7:2:125:2 Multiferroic Ceramic Composites Based on PZT Type Ceramic and NiZnFe Ferrite
DOI:10.1080/00150193.2013.822295 JN:FERROELECTRICS PY:2013 TC:3 AU: Bochenek, D.;Niemiec, P.;Wawrzala, P.;Chrobak, A.;
7:2:125:3 Preparation and the temperature dependence of electromechanical properties of Ca2+-W6+ co-doped Pb(Zr,Ti)O-3 ceramics
DOI:10.1016/j.jallcom.2010.01.076 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:2 AU: Cao, Zhenzhu;Li, Guorong;Or, Siu Wing;Zeng, Jiangtao;Zheng, Liaoying;Yin, Qingrui;
7:2:125:4 Comparison study of macro and micro scale AC and DC conductivity measurements with Impedance Spectroscopy and Atomic Force Microscopy techniques applied in PBZT ceramics
DOI:10.1016/j.ceramint.2011.12.010 JN:CERAMICS INTERNATIONAL PY:2012 TC:2 AU: Kozielski, L.;Adamczyk, M.;Pilch, M.;
7:2:125:5 Covariant hysteretic constitutive theory for Maxwell's equations: application to axially rotating media
DOI:10.1080/14786435.2013.858835 JN:PHILOSOPHICAL MAGAZINE PY:2014 TC:0 AU: Hale, Alison C.;Tucker, Robin W.;
7:2:126:1 Effect of ultraviolet radiation on slow-relaxation processes in ferroelectric capacitance structures
DOI:10.1063/1.3327236 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:9 AU: Petrov, P. K.;Alford, N. McN;Kozyrev, A.;Gaidukov, M.;Altynnikov, A.;Vasilevskiy, A.;Konoplev, G.;Tumarkin, A.;Gagarin, A.;
7:2:126:2 Ferroelectric Strontium Titanate Thin Films for Microwave Applications
DOI:10.1080/00150193.2012.743847 JN:FERROELECTRICS PY:2012 TC:2 AU: Tumarkin, A. V.;Gaidukov, M. M.;Gagarin, A. G.;Samoilova, T. B.;Kozyrev, A. B.;
7:2:126:3 Impact of total ionizing dose irradiation on electrical property of ferroelectric-gate field-effect transistor
DOI:10.1063/1.4878416 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Yan, S. A.;Xiong, Y.;Tang, M. H.;Li, Z.;Xiao, Y. G.;Zhang, W. L.;Zhao, W.;Guo, H. X.;Ding, H.;Chen, J. W.;Zhou, Y. C.;
7:2:126:4 Influence of Sr+2 concentrations on growth of SrTiO3 thin films synthesized by hydrothermal-galvanic couple method
DOI:10.1016/j.tsf.2014.02.035 JN:THIN SOLID FILMS PY:2014 TC:0 AU: Tsai, Yu-Hsiang;Chieh, Yu-Chih;Lu, Fu-Hsing;
7:2:126:5 Hydrothermal-galvanic couple synthesis of directionally oriented BaTiO3 thin films on TiN-coated substrates
DOI:10.1016/j.tsf.2013.06.060 JN:THIN SOLID FILMS PY:2013 TC:3 AU: Yang, Chia-Jung;Tsai, Di-You;Chan, Pei-Hsuan;Wu, Chu-Tsun;Lu, Fu-Hsing;
7:2:127:1 Study of spin glass and cluster ferromagnetism in RuSr2Eu1.4Ce0.6Cu2O10-delta magneto superconductor
DOI:10.1063/1.3626824 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:8 AU: Kumar, Anuj;Tandon, R. P.;Awana, V. P. S.;
7:2:127:2 Magnetic phase separation and cluster-spin-glass behavior in LaMn1-xFexO3+y
DOI:10.1063/1.3364056 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:5 AU: de Lima, O. F.;Coaquira, J. A. H.;de Almeida, R. L.;Malik, S. K.;
7:2:127:3 Evidence of a cluster glass-like behavior in Fe-doped ZnO nanoparticles
DOI:10.1063/1.4864246 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Ramos, J. E.;Montero-Munoz, M.;Coaquira, J. A. H.;Rodriguez-Paez, J. E.;
7:2:127:4 Crossing point phenomena (T-star=2.7 K) in specific heat curves of superconducting ferromagnets RuSr2Gd1.4Ce0.6Cu2O10-delta
DOI:10.1063/1.3677868 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Kumar, Anuj;Tandon, R. P.;Wang, Jianli;Zeng, Rong;Awana, V. P. S.;
7:2:127:5 Spin dynamics, short-range order and superparamagnetism in superconducting ferromagnet RuSr2Gd1.4Ce0.6Cu2O10-delta
DOI:10.1016/j.jmmm.2013.08.037 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:1 AU: Kumar, Anuj;Tandon, R. P.;Awana, V. P. S.;
7:2:128:1 Ultrasonic investigation of the Jahn-Teller effect in GaAs semiconductors doped by transition metals
DOI:10.1063/1.4895475 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Averkiev, N. S.;Bersuker, I. B.;Gudkov, V. V.;Baryshnikov, K. A.;Zhevstovskikh, I. V.;Mayakin, V. Yu.;Monakhov, A. M.;Sarychev, M. N.;Sedov, V. E.;Surikov, V. T.;
7:2:128:2 Class of Molecular and Solid State Systems with Correlated Magnetic and Dielectric Bistabilities Induced by the Pseudo Jahn-Teller Effect
DOI:10.1103/PhysRevLett.106.246406 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:12 AU: Garcia-Fernandez, Pablo;Bersuker, Isaac B.;
7:2:128:3 Acoustic evidence of distinctive temperatures in relaxor-multiferroics
DOI:10.1063/1.4863795 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Smirnova, E.;Sotnikov, A.;Ktitorov, S.;Zaitseva, N.;Schmidt, H.;Weihnacht, M.;
7:2:129:1 Variations in the microstructure and properties of multicomponent ferroelectric ceramics as a result of its modification by barium
DOI:10.1016/j.ceramint.2014.06.119 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Reznichenko, L. A.;Alyoshin, V. A.;Shilkina, L. A.;Talanov, M. V.;Dudkina, S. I.;
7:2:129:2 Dielectric and pyroelectric properties of Ba-modified lead lanthanum zirconate stannate titanate ceramics
DOI:10.1016/j.mseb.2011.03.006 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2011 TC:6 AU: Zhang, Qingfeng;Jiang, Shenglin;Zeng, Yike;Xie, Zhenzhen;Fan, Maoyan;Zhang, Guangzu;Zhang, Yangyang;Yu, Yan;Wang, Jing;Qin, Xiaoye;
7:2:129:3 The PZT system (PbZr(1-x)TixO(3), 0.0 <= x <= 1.0): Specific features of recrystallization sintering and microstructures of solid solutions (Part 1)
DOI:10.1016/j.ceramint.2012.06.088 JN:CERAMICS INTERNATIONAL PY:2013 TC:3 AU: Andryushina, I. N.;Reznichenko, L. A.;Alyoshin, V. A.;Shilkina, L. A.;Titov, S. V.;Titov, V. V.;Andryushin, K. P.;Dudkina, S. I.;
7:2:129:4 Preparation, structure and piezoelectric properties of PZN-PMN-PT ceramics in the composition range of large PZN concentrations
DOI:10.1016/j.ceramint.2012.01.033 JN:CERAMICS INTERNATIONAL PY:2012 TC:2 AU: Reznitchenko, L. A.;Verbenko, I. A.;Razumovskaya, O. N.;Shilkina, L. A.;Bokov, A. A.;Miller, A. I.;Talanov, M. V.;
7:2:129:5 The PZT system (PbTixZr1-xO3, 0 <= x <= 1.0): The dependences of electrophysical properties of solid solutions on the electric field strength and component concentration (Part 5)
DOI:10.1016/j.ceramint.2013.02.100 JN:CERAMICS INTERNATIONAL PY:2013 TC:0 AU: Andryushina, I. N.;Reznichenko, L. A.;Shilkina, L. A.;Andryushin, K. P.;Yurasov, Yu I.;Dudkina, S. I.;
7:2:129:6 Dielectric and pyroelectric properties of Ba-modified lead lanthanum zirconate stannate titanate ceramics (vol 176, pg 816, 2011)
DOI:10.1016/j.mseb.2012.01.001 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2012 TC:0 AU: Zhang, Qingfeng;Jiang, Shenglin;Zeng, Yike;Xie, Zhenzhen;Fan, Maoyan;Zhang, Guangzu;Zhang, Yangyang;Yu, Yan;Wang, Jing;Qin, Xiaoye;
7:2:130:1 Effects of B-site chemistry on BiFeO3-containing enhanced tetragonality systems
DOI:10.1063/1.3659298 JN:APPLIED PHYSICS LETTERS PY:2011 TC:3 AU: Stein, David M.;Davies, Peter K.;
7:2:130:2 Multiple dielectric transitions in the PbTiO3-Bi(Zn1/2Ti1/2)O-3-Bi(Mg1/2Ti1/2)O-3 system
DOI:10.1063/1.3646559 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Stein, David M.;Grinberg, Ilya;Rappe, Andrew M.;Davies, Peter K.;
7:2:130:3 Characterization of the High-Temperature Ferroelectric (100-x-y)BiScO3-( x) Bi(Zr0.5Zn0.5)O-3-(y)PbTiO3 Perovskite Ternary Solid Solution
DOI:10.1111/jace.12648 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:0 AU: Kowalski, Ben A.;Sehirlioglu, Alp;Dynys, Fred W.;Sayir, Ali;
7:2:131:1 Origin of the uniaxial magnetic anisotropy in La0.7Sr0.3MnO3 on stripe-domain BiFeO3
DOI:10.1103/PhysRevB.88.184426 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:2:131:2 Preparation of a heteroepitaxial LaxSryMnzO3/BiFeO3 bilayer by r.f. magnetron sputtering with various oxygen gas flow ratios
DOI:10.1063/1.4893998 JN:AIP ADVANCES PY:2014 TC:0 AU: Naganuma, H.;Ichinose, T.;Begum, H. A.;Sato, S.;Han, X. F.;Miyazaki, T.;Bae, In-T.;Oogane, M.;Ando, Y.;
7:2:132:1 Calculations on switching characteristics of ferroelectric-paraelectric superlattices
DOI:10.1016/j.ceramint.2011.04.036 JN:CERAMICS INTERNATIONAL PY:2012 TC:3 AU: Ong, Lye-Hock;Lee, Thong-Yan;Chew, Khian-Hooi;
7:2:132:2 Modeling Dynamic Ferroelectric Behavior with the Analytical Landau Theory
DOI:10.1080/00150193.2013.814443 JN:FERROELECTRICS PY:2013 TC:1 AU: Loh, Kok-Khuan;Ong, Lye-Hock;Chew, Khian-Hooi;
7:2:132:3 Analytical Landau-type model of polarization switching in ferroelectrics
DOI:10.1016/j.ceramint.2012.10.084 JN:CERAMICS INTERNATIONAL PY:2013 TC:2 AU: Loh, Kok-Khuan;Ong, Lye-Hock;Chew, Khian-Hooi;
7:2:132:4 Effects of Electric Fields on Bilayer Ferroelectric Films
DOI:10.1080/00150191003679615 JN:FERROELECTRICS PY:2010 TC:2 AU: Ong, Lye-Hock;Lee, Thong-Yan;
7:2:133:1 Proper Permittivity for Depolarization Field in Perfectly Insulating Ferroelectric and Examination of Background Permittivity
DOI:10.1080/00150193.2014.889540 JN:FERROELECTRICS PY:2014 TC:0 AU: Watanabe, Y.;
7:2:133:2 Apparent Closure Domain by Standard 180 degrees Domain Theory and Necessity of Fundamental Screening in the Theory
DOI:10.1080/00150191003670432 JN:FERROELECTRICS PY:2010 TC:2 AU: Watanabe, Yukio;
7:2:133:3 Appropriate Value of Permittivity for Depolarization Field and Universal Instability of Insulating Ferroelectric Phase in Single-Domain State
DOI:10.1080/00150193.2010.484328 JN:FERROELECTRICS PY:2010 TC:1 AU: Watanabe, Yukio;
7:2:133:4 Examination of Consistency of Intrinsic 2D Conduction Layer on BaTiO3 in Extreme Clean Limit with Ferroelectric Basics
DOI:10.1080/00150193.2012.677685 JN:FERROELECTRICS PY:2012 TC:0 AU: Watanabe, Yukio;
7:2:134:1 Dielectric Properties of BaTiO3-Modified BiFeO3 Ceramics
DOI:10.1080/00150193.2010.492724 JN:FERROELECTRICS PY:2011 TC:10 AU: Chandarak, Sujittra;Ngamjarurojana, Athipong;Srilomsak, Suthum;Laoratanakul, Pitak;Rujirawat, Saroj;Yimnirun, Rattikorn;
7:2:134:2 Magnetoelectric Properties of Cu- and Mn-Doped 0.75BiFeO(3)-0.25BaTiO(3) Multiferroic Ceramics
DOI:10.1080/00150193.2011.594739 JN:FERROELECTRICS PY:2011 TC:3 AU: Chandarak, S.;Pojprapai, S.;Srilomsak, S.;Jantaratana, P.;Rujirawat, S.;Yimnirun, R.;
7:2:134:3 Effects of Mn and Cu Doping on Electrical Properties of 0.75BiFeO(3)-0.25BaTiO(3) Ceramics
DOI:10.1080/10584587.2010.488192 JN:INTEGRATED FERROELECTRICS PY:2010 TC:3 AU: Chandarak, S.;Ngamjarurojana, A.;Pojprapai, S.;Srilomsak, S.;Rujirawat, S.;Yimnirun, R.;
7:2:135:1 Asymptotic Description of the Time and Temperature Hysteresis in the Framework of Landau-Khalatnikov Equation
DOI:10.1080/00150193.2014.889544 JN:FERROELECTRICS PY:2014 TC:1 AU: Starkov, A.;Starkov, I.;
7:2:135:2 Impact of the Pyroelectric Effect on Ferroelectric Phase Transitions
DOI:10.1080/00150193.2012.674413 JN:FERROELECTRICS PY:2012 TC:1 AU: Starkov, Alexander;Pakhomov, Oleg;Starkov, Ivan;
7:2:135:3 Temperature hysteresis of the capacitance dependence C(T) for ferroelectric ceramics
DOI:10.1116/1.3532944 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2011 TC:2 AU: Dedyk, Antonina;Pavlova, Yulia;Karmanenko, Sergey;Semenov, Alexander;Semikin, Dmitry;Pakhomov, Oleg;Starkov, Alexander;Starkov, Ivan;
7:2:136:1 Much simplified ion-beam assisted deposition-TiN template for high-performance coated conductors
DOI:10.1063/1.3499270 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:12 AU: Xiong, J.;Matias, V.;Wang, H.;Zhai, J. Y.;Maiorov, B.;Trugman, D.;Tao, B. W.;Li, Y. R.;Jia, Q. X.;
7:2:136:2 Morphology evolvement of CeO2 cap layer for coated conductors
DOI:10.1016/j.apsusc.2012.09.094 JN:APPLIED SURFACE SCIENCE PY:2012 TC:2 AU: Xia, Yudong;Xiong, Jie;Zhang, Fei;Xue, Yan;Wang, Lili;Guo, Pei;Xu, Pengju;Zhao, Xiaohui;Tao, Bowan;
7:2:136:3 Double-sided reel-to-reel metal-organic chemical vapor deposition system of YBa2Cu3O7-delta thin films
DOI:10.1116/1.4884367 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A PY:2014 TC:1 AU: Zhang, Fei;Xiong, Jie;Liu, Xin;Zhao, Ruipeng;Zhao, Xiaohui;Tao, Bowan;Li, Yanrong;
7:2:137:1 Controlled mechnical modification of manganite surface with nanoscale resolution
DOI:10.1088/0957-4484/25/47/475302 JN:NANOTECHNOLOGY PY:2014 TC:0 AU: Kelly, Simon J.;Kim, Yunseok;Eliseev, Eugene;Morozovska, Anna;Jesse, Stephen;Biegalski, Michael D.;Mitchell, J. F.;Zheng, H.;Aarts, J.;Hwang, Inrok;Oh, Sungtaek;Choi, Jin Sik;Choi, Taekjib;Park, Bae Ho;Kalinin, Sergei V.;Maksymovych, Peter;
7:2:137:2 Observation of Electronic Inhomogeneity and Charge Density Waves in a Bilayer La2-2xSr1+2xMn2O7 Single Crystal
DOI:10.1103/PhysRevLett.110.217203 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:2 AU: Kim, Jeehoon;Huang, Junwei;Zhou, J. -S.;Goodenough, J. B.;Zheng, H.;Mitchell, J. F.;de Lozanne, Alex;
7:2:138:1 Piezoelectric response around ferroelectric domain walls in crystals with engineered domain configuration
DOI:10.1103/PhysRevB.81.024114 JN:PHYSICAL REVIEW B PY:2010 TC:3 AU: Guo, Haiyan;Bokov, Alexei A.;Ye, Zuo-Guang;
7:2:138:2 Ferroelectric materials for piezoelectric actuators by optimal design
DOI:10.1016/j.actamat.2011.02.005 JN:ACTA MATERIALIA PY:2011 TC:1 AU: Jayachandran, K. P.;Guedes, J. M.;Rodrigues, H. C.;
7:2:138:3 Optimal configuration of microstructure in ferroelectric materials by stochastic optimization
DOI:10.1063/1.3462450 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:3 AU: Jayachandran, K. P.;Guedes, J. M.;Rodrigues, H. C.;
7:2:139:1 Molten Salt Synthesis of Bismuth Ferrite Nano- and Microcrystals and their Structural Characterization
DOI:10.1111/jace.12897 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:2 AU: Zhu, Xinhua;Zhou, Jun;Jiang, Mengchao;Xie, Jun;Liang, Shuang;Li, Shuyi;Liu, Zidong;Zhu, Yingying;Zhu, Jianmin;Liu, Zhiguo;
7:2:139:2 Multiferroic properties of single-crystalline Bi0.8La0.2FeO3 microsized particles synthesized by molten salt method
DOI:10.1016/j.ceramint.2011.06.030 JN:CERAMICS INTERNATIONAL PY:2011 TC:1 AU: Zhai, L.;Shi, Y. G.;Gao, J. L.;Tang, S. L.;Du, Y. W.;
7:2:139:3 Grain Size Effect on the Dielectric Properties of Molten Salt Synthesized BaTiO3
DOI:10.1080/00150191003711335 JN:FERROELECTRICS PY:2010 TC:3 AU: Sahoo, Ganesh Kumar;Mazumder, Ranabrata;
7:2:140:1 Observation of Ferroelectric Domain Structure in TGS
DOI:10.1080/00150193.2011.554269 JN:FERROELECTRICS PY:2011 TC:9 AU: Nakatani, N.;
7:2:140:2 Ferroelectric-Paraelectric Phase Transition in Triglycine Sulphate via Piezoresponse Force Microscopy
DOI:10.1080/00150193.2012.671742 JN:FERROELECTRICS PY:2012 TC:2 AU: Bdikin, I. K.;Wojtas, M.;Kiselev, D.;Isakov, D.;Kholkin, A. L.;
7:2:140:3 Dynamic Simulation of Polarization Reversal Processes in Ferroelectric Crystals under Electron Beam Irradiation
DOI:10.1080/00150193.2013.773855 JN:FERROELECTRICS PY:2013 TC:1 AU: Maslovskaya, A.;Barabash, T.;
7:2:141:1 The effect of domain patterns on 180 degrees domain switching in BaTiO3 crystals during antiparallel electric field loading
DOI:10.1063/1.4863672 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Li, Y. W.;Li, F. X.;
7:2:141:2 In-situ observation of needle domain evolution in barium titanate single crystals
DOI:10.1016/j.jeurceramsoc.2012.08.026 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:4 AU: Potnis, Prashant;Huber, John;
7:2:141:3 Synchrotron Mapping of Laminate Microstructures in Barium Titanate Single Crystals
DOI:10.1080/00150193.2011.594780 JN:FERROELECTRICS PY:2011 TC:1 AU: Potnis, Prashant;Huber, John;Sutter, John;
7:2:142:1 Tailoring the nanoscale boundary cavities in rutile TiO2 hierarchical microspheres for giant dielectric performance
DOI:10.1039/c0jm01232g JN:JOURNAL OF MATERIALS CHEMISTRY PY:2010 TC:25 AU: Hu, Wanbiao;Li, Liping;Tong, Wenming;Li, Guangshe;Yan, Tingjiang;
7:2:142:2 Pulsed laser deposition growth of rutile TiO2 nanowires on Silicon substrates
DOI:10.1016/j.apsusc.2014.05.123 JN:APPLIED SURFACE SCIENCE PY:2014 TC:2 AU: Nechache, R.;Nicklaus, M.;Diffalah, N.;Ruediger, A.;Rosei, F.;
7:2:143:1 Effects of Cu dilution in NiO on the magnetic properties of NiFe2O4/Ni1-xCuxO nanocomposites
DOI:10.1016/j.jallcom.2009.12.015 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:2 AU: Liu, K. L.;Yuan, S. L.;Yin, S. Y.;Tian, Z. M.;He, J. H.;Li, P.;Zheng, X. F.;Duan, H. N.;Huo, S. X.;Wang, C. H.;
7:2:143:2 Investigation of exchange bias in 0.1MFe(2)O(4)/0.9BiFeO(3) (M=Co, Cu, Ni) nanocomposite
DOI:10.1016/j.jmmm.2011.10.032 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:4 AU: He, J. H.;Guan, J. G.;Wang, W.;
7:2:143:3 Improved exchange bias of PtCr antiferromagnets with FeMn or Mn addition
DOI:10.1016/j.jallcom.2009.10.024 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:2 AU: Dai, B.;Lei, Y.;Shao, X. P.;Ni, J.;
7:2:144:1 Hydrothermal Synthesis of Perovskite Bismuth Ferrite Micro/Nano Powders
DOI:10.1080/10584587.2014.902668 JN:INTEGRATED FERROELECTRICS PY:2014 TC:1 AU: Song, Chun Yan;Xu, Jinbao;Yimamu, Aerpati;Wang, Lei;
7:2:144:2 Surfactant-free hydrothermal synthesis of submicron BiFeO3 powders
DOI:10.1007/s00339-010-6024-2 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2011 TC:4 AU: Peng, Jianhong;Hojamberdiev, Mirabbos;Cao, Baowei;Wang, Juan;Xu, Yunhua;
7:2:145:1 Kelvin probe force microscopy for conducting nanobits of NiO thin films
DOI:10.1088/0957-4484/21/21/215704 JN:NANOTECHNOLOGY PY:2010 TC:5 AU: Son, J. Y.;Shin, Y-H;Kim, H.;Cho, J. H.;Jang, H.;
7:2:145:2 Analysis of the lateral resolution of electrostatic force gradient microscopy
DOI:10.1063/1.4752430 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Dunaevskiy, Mikhail;Alekseev, Prokhor;Girard, Paul;Lashkul, Alexander;Lahderanta, Erkki;Titkov, Alexander;
7:2:146:1 Study of the electric-pulse-induced resistive switching effects at Pt/PrBa2Cu3Ox interfaces by multi-electrode method
DOI:10.1063/1.4873170 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Yue, Ruihong;Sun, Xianwen;Wei, Ling;Yin, Yanfeng;Yin, Jiangtao;Zhang, Weifeng;
7:2:146:2 Electric-pulse-controlled Schottky-like/Ohmic contact for Ag/Nb-doped SrTiO3 junctions
DOI:10.1016/j.mssp.2013.03.006 JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING PY:2013 TC:1 AU: Ding, Tao;Fang, Yian;Chen, Liping;Huang, Shihua;Chen, Yuansha;
7:2:147:1 MOCVD growth and characterization of BiFeO3-Bi(Zn1/2Ti1/2)O-3 ferroelectric films
DOI:10.1016/j.mseb.2009.12.019 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2010 TC:7 AU: Yazawa, Keisuke;Yasui, Shintaro;Matsushima, Masaaki;Uchida, Hiroshi;Funakubo, Hiroshi;
7:2:147:2 Phase transition of ferroelectric (LixNa1-x)NbO3 films with 0 <= x <= 0.13 by applying an electric field
DOI:10.1063/1.4795593 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Kohori, Akihiro;Yamazoe, Seiji;Imai, Takahito;Adachi, Hideaki;Wada, Takahiro;
7:2:148:1 Effect of Annealing on Ferroelectric Properties of Lanthanum Modified Lead Zirconate Titanate Thin Films
DOI:10.1080/10584587.2011.637011 JN:INTEGRATED FERROELECTRICS PY:2011 TC:3 AU: Harshan, V. N.;Kotru, Sushma;
7:2:148:2 Photovoltaic and Ferroelectric Properties of Pb0.95La0.05Zr0.54Ti0.46O3 Thin Films under Dark and Illuminated Conditions
DOI:10.1080/00150193.2014.922839 JN:FERROELECTRICS PY:2014 TC:1 AU: Harshan, V. N.;Kotru, Sushma;
7:2:149:1 Magnetic structure and magneto-elastic-structural coupling in Cr-modified SrRuO3: A neutron powder diffraction study
DOI:10.1063/1.3554716 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Ranjan, Rajeev;Senyshyn, Anatoliy;Garg, Rohini;Boysen, Hans;
7:2:149:2 High pressure, mechanical, and optical properties of ZrW2O8
DOI:10.1063/1.3544487 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Ramzan, M.;Luo, W.;Ahuja, R.;
7:3:1:1 Tunable Rashba Spin-Orbit Interaction at Oxide Interfaces
DOI:10.1103/PhysRevLett.104.126803 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:154 AU: Caviglia, A. D.;Gabay, M.;Gariglio, S.;Reyren, N.;Cancellieri, C.;Triscone, J. -M.;
7:3:1:2 Creation and control of a two-dimensional electron liquid at the bare SrTiO3 surface
DOI:10.1038/nmat2943 JN:NATURE MATERIALS PY:2011 TC:140 AU: Meevasana, W.;King, P. D. C.;He, R. H.;Mo, S-K.;Hashimoto, M.;Tamai, A.;Songsiriritthigul, P.;Baumberger, F.;Shen, Z-X.;
7:3:1:3 Coexistence of Superconductivity and Ferromagnetism in Two Dimensions
DOI:10.1103/PhysRevLett.107.056802 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:128 AU: Dikin, D. A.;Mehta, M.;Bark, C. W.;Folkman, C. M.;Eom, C. B.;Chandrasekhar, V.;
7:3:1:4 Two-Dimensional Quantum Oscillations of the Conductance at LaAlO3/SrTiO3 Interfaces
DOI:10.1103/PhysRevLett.105.236802 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:76 AU: Caviglia, A. D.;Gariglio, S.;Cancellieri, C.;Sacepe, B.;Fete, A.;Reyren, N.;Gabay, M.;Morpurgo, A. F.;Triscone, J-M.;
7:3:1:5 Tuning Spin-Orbit Coupling and Superconductivity at the SrTiO3/LaAlO3 Interface: A Magnetotransport Study
DOI:10.1103/PhysRevLett.104.126802 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:79 AU: Ben Shalom, M.;Sachs, M.;Rakhmilevitch, D.;Palevski, A.;Dagan, Y.;
7:3:1:6 Spontaneous 2-Dimensional Carrier Confinement at the n-Type SrTiO3/LaAlO3 Interface
DOI:10.1103/PhysRevLett.106.166807 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:67 AU: Delugas, Pietro;Filippetti, Alessio;Fiorentini, Vincenzo;Bilc, Daniel I.;Fontaine, Denis;Ghosez, Philippe;
7:3:1:7 Theory of spin-orbit coupling at LaAlO3/SrTiO3 interfaces and SrTiO3 surfaces
DOI:10.1103/PhysRevB.87.161102 JN:PHYSICAL REVIEW B PY:2013 TC:23 AU: Zhong, Zhicheng;Toth, Anna;Held, Karsten;
7:3:1:8 Electrolyte Gate-Controlled Kondo Effect in SrTiO3
DOI:10.1103/PhysRevLett.107.256601 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:40 AU: Lee, Menyoung;Williams, J. R.;Zhang, Sipei;Frisbie, C. Daniel;Goldhaber-Gordon, D.;
7:3:1:9 Theory of the SrTiO3 surface state two-dimensional electron gas
DOI:10.1103/PhysRevB.86.125121 JN:PHYSICAL REVIEW B PY:2012 TC:25 AU: Khalsa, Guru;MacDonald, A. H.;
7:3:1:10 Superconducting and Ferromagnetic Phases in SrTiO3/LaAlO3 Oxide Interface Structures: Possibility of Finite Momentum Pairing
DOI:10.1103/PhysRevLett.108.117003 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:61 AU: Michaeli, Karen;Potter, Andrew C.;Lee, Patrick A.;
7:3:1:11 Two-dimensional electron liquid state at LaAlO3-SrTiO3 interfaces
DOI:10.1103/PhysRevB.81.153414 JN:PHYSICAL REVIEW B PY:2010 TC:45 AU: Breitschaft, M.;Tinkl, V.;Pavlenko, N.;Paetel, S.;Richter, C.;Kirtley, J. R.;Liao, Y. C.;Hammerl, G.;Eyert, V.;Kopp, T.;Mannhart, J.;
7:3:1:12 First-Principles Modeling of Electrostatically Doped Perovskite Systems
DOI:10.1103/PhysRevLett.106.136803 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:36 AU: Stengel, Massimiliano;
7:3:1:13 Nonlinear Hall effect and multichannel conduction in LaTiO3/SrTiO3 superlattices
DOI:10.1103/PhysRevB.82.201407 JN:PHYSICAL REVIEW B PY:2010 TC:35 AU: Kim, J. S.;Seo, S. S. A.;Chisholm, M. F.;Kremer, R. K.;Habermeier, H. -U.;Keimer, B.;Lee, H. N.;
7:3:1:14 Subband Structure of a Two-Dimensional Electron Gas Formed at the Polar Surface of the Strong Spin-Orbit Perovskite KTaO3
DOI:10.1103/PhysRevLett.108.117602 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:36 AU: King, P. D. C.;He, R. H.;Eknapakul, T.;Buaphet, P.;Mo, S-K;Kaneko, Y.;Harashima, S.;Hikita, Y.;Bahramy, M. S.;Bell, C.;Hussain, Z.;Tokura, Y.;Shen, Z-X;Hwang, H. Y.;Baumberger, F.;Meevasana, W.;
7:3:1:15 Magnetic and superconducting ordering in one-dimensional nanostructures at the LaAlO3/SrTiO3 interface
DOI:10.1103/PhysRevB.87.014436 JN:PHYSICAL REVIEW B PY:2013 TC:12 AU: Fidkowski, Lukasz;Jiang, Hong-Chen;Lutchyn, Roman M.;Nayak, Chetan;
7:3:1:16 Electronic and Magnetic Properties of SrTiO3/LaAlO3 Interfaces from First Principles
DOI:10.1002/adma.200903800 JN:ADVANCED MATERIALS PY:2010 TC:51 AU: Chen, Hanghui;Kolpak, Alexie M.;Ismail-Beigi, Sohrab;
7:3:1:17 Dynamical Response and Confinement of the Electrons at the LaAlO3/SrTiO3 Interface
DOI:10.1103/PhysRevLett.104.156807 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:35 AU: Dubroka, A.;Roessle, M.;Kim, K. W.;Malik, V. K.;Schultz, L.;Thiel, S.;Schneider, C. W.;Mannhart, J.;Herranz, G.;Copie, O.;Bibes, M.;Barthelemy, A.;Bernhard, C.;
7:3:1:18 Phase Diagram of Electrostatically Doped SrTiO3
DOI:10.1103/PhysRevLett.106.136809 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:42 AU: Lee, Yeonbae;Clement, Colin;Hellerstedt, Jack;Kinney, Joseph;Kinnischtzke, Laura;Leng, Xiang;Snyder, S. D.;Goldman, A. M.;
7:3:1:19 Subband structure of two-dimensional electron gases in SrTiO3
DOI:10.1063/1.4831976 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Raghavan, Santosh;Allen, S. James;Stemmer, Susanne;
7:3:1:20 Oxygen vacancies at titanate interfaces: Two-dimensional magnetism and orbital reconstruction
DOI:10.1103/PhysRevB.86.064431 JN:PHYSICAL REVIEW B PY:2012 TC:22 AU: Pavlenko, N.;Kopp, T.;Tsymbal, E. Y.;Mannhart, J.;Sawatzky, G. A.;
7:3:1:21 Shubnikov-De Haas Oscillations in SrTiO3/LaAlO3 Interface
DOI:10.1103/PhysRevLett.105.206401 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:43 AU: Ben Shalom, M.;Ron, A.;Palevski, A.;Dagan, Y.;
7:3:1:22 Novel transport phenomena at complex oxide interfaces
DOI:10.1557/mrs.2013.262 JN:MRS BULLETIN PY:2013 TC:5 AU: Hilgenkamp, Hans;
7:3:1:23 Magnetic and superconducting phases at the LaAlO3/SrTiO3 interface: The role of interfacial Ti 3d electrons
DOI:10.1103/PhysRevB.85.020407 JN:PHYSICAL REVIEW B PY:2012 TC:34 AU: Pavlenko, N.;Kopp, T.;Tsymbal, E. Y.;Sawatzky, G. A.;Mannhart, J.;
7:3:1:24 Theory of t(2g) electron-gas Rashba interactions
DOI:10.1103/PhysRevB.88.041302 JN:PHYSICAL REVIEW B PY:2013 TC:15 AU: Khalsa, Guru;Lee, Byounghak;MacDonald, A. H.;
7:3:1:25 Field-effect devices utilizing LaAlO3-SrTiO3 interfaces
DOI:10.1063/1.3682102 JN:APPLIED PHYSICS LETTERS PY:2012 TC:32 AU: Foerg, B.;Richter, C.;Mannhart, J.;
7:3:1:26 Parallel Electron-Hole Bilayer Conductivity from Electronic Interface Reconstruction
DOI:10.1103/PhysRevLett.104.166804 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:43 AU: Pentcheva, R.;Huijben, M.;Otte, K.;Pickett, W. E.;Kleibeuker, J. E.;Huijben, J.;Boschker, H.;Kockmann, D.;Siemons, W.;Koster, G.;Zandvliet, H. J. W.;Rijnders, G.;Blank, D. H. A.;Hilgenkamp, H.;Brinkman, A.;
7:3:1:27 Experimental Evidence of Cubic Rashba Effect in an Inversion-Symmetric Oxide
DOI:10.1103/PhysRevLett.108.206601 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:22 AU: Nakamura, H.;Koga, T.;Kimura, T.;
7:3:1:28 Origin of Interface Magnetism in BiMnO3/SrTiO3 and LaAlO3/SrTiO3 Heterostructures
DOI:10.1103/PhysRevLett.111.087204 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:19 AU: Salluzzo, M.;Gariglio, S.;Stornaiuolo, D.;Sessi, V.;Rusponi, S.;Piamonteze, C.;De Luca, G. M.;Minola, M.;Marre, D.;Gadaleta, A.;Brune, H.;Nolting, F.;Brookes, N. B.;Ghiringhelli, G.;
7:3:1:29 Two-dimensional electron gas in delta-doped SrTiO3
DOI:10.1103/PhysRevB.82.081103 JN:PHYSICAL REVIEW B PY:2010 TC:31 AU: Jalan, Bharat;Stemmer, Susanne;Mack, Shawn;Allen, S. James;
7:3:1:30 Origin and transport signatures of spin-orbit interactions in one- and two-dimensional SrTiO3-based heterostructures
DOI:10.1103/PhysRevB.87.245121 JN:PHYSICAL REVIEW B PY:2013 TC:8 AU: Kim, Younghyun;Lutchyn, Roman M.;Nayak, Chetan;
7:3:1:31 Magnetic and transport signatures of Rashba spin-orbit coupling on the ferromagnetic Kondo lattice model in two dimensions
DOI:10.1103/PhysRevB.90.085107 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Meza, Giovany A.;Riera, Jose A.;
7:3:1:32 Large band offset as driving force of two-dimensional electron confinement: The case of SrTiO3/SrZrO3 interface
DOI:10.1103/PhysRevB.88.115304 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Delugas, P.;Filippetti, A.;Gadaleta, A.;Pallecchi, I.;Marre, D.;Fiorentini, V.;
7:3:1:33 Charge density distribution and optical response of the LaAlO3/SrTiO3 interface
DOI:10.1103/PhysRevB.87.205145 JN:PHYSICAL REVIEW B PY:2013 TC:6 AU: Park, Se Young;Millis, Andrew J.;
7:3:1:34 Optical conductivity of the t(2g) two-dimensional electron gas
DOI:10.1103/PhysRevB.89.245417 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Xie, Ming;Khalsa, Guru;MacDonald, A. H.;
7:3:1:35 Two-Dimensional Superconducting Phase in LaTiO3/SrTiO3 Heterostructures Induced by High-Mobility Carrier Doping
DOI:10.1103/PhysRevLett.108.247004 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:20 AU: Biscaras, J.;Bergeal, N.;Hurand, S.;Grossetete, C.;Rastogi, A.;Budhani, R. C.;LeBoeuf, D.;Proust, C.;Lesueur, J.;
7:3:1:36 Consequences of Oxygen-Vacancy Correlations at the SrTiO3 Interface
DOI:10.1103/PhysRevLett.113.157602 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Lin, Chungwei;Demkov, Alexander A.;
7:3:1:37 Functional oxide interfaces
DOI:10.1557/mrs.2013.282 JN:MRS BULLETIN PY:2013 TC:12 AU: Granozio, Fabio Miletto;Koster, Gertjan;Rijnders, Guus;
7:3:1:38 Gate-tuned superfluid density at the superconducting LaAlO3/SrTiO3 interface
DOI:10.1103/PhysRevB.86.060503 JN:PHYSICAL REVIEW B PY:2012 TC:16 AU: Bert, Julie A.;Nowack, Katja C.;Kalisky, Beena;Noad, Hilary;Kirtley, John R.;Bell, Chris;Sato, Hiroki K.;Hosoda, Masayuki;Hikita, Yasayuki;Hwang, Harold Y.;Moler, Kathryn A.;
7:3:1:39 Phase diagrams of voltage-gated oxide interfaces with strong Rashba coupling
DOI:10.1103/PhysRevB.89.195448 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Bucheli, D.;Grilli, M.;Peronaci, F.;Seibold, G.;Caprara, S.;
7:3:1:40 Electron correlation and magnetism at the LaAlO3/SrTiO3 interface: A DFT plus DMFT investigation
DOI:10.1103/PhysRevB.90.085125 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Lechermann, Frank;Boehnke, Lewin;Grieger, Daniel;Piefke, Christoph;
7:3:1:41 In-plane electronic confinement in superconducting LaAlO3/SrTiO3 nanostructures
DOI:10.1063/1.4768936 JN:APPLIED PHYSICS LETTERS PY:2012 TC:14 AU: Stornaiuolo, D.;Gariglio, S.;Couto, N. J. G.;Fete, A.;Caviglia, A. D.;Seyfarth, G.;Jaccard, D.;Morpurgo, A. F.;Triscone, J. -M.;
7:3:1:42 Fermi Surface and Superconductivity in Low-Density High-Mobility delta-Doped SrTiO3
DOI:10.1103/PhysRevLett.107.106801 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:19 AU: Kim, M.;Bell, C.;Kozuka, Y.;Kurita, M.;Hikita, Y.;Hwang, H. Y.;
7:3:1:43 Electronic structure of doped d(0) perovskite semiconductors
DOI:10.1103/PhysRevB.83.115114 JN:PHYSICAL REVIEW B PY:2011 TC:22 AU: Bistritzer, R.;Khalsa, G.;MacDonald, A. H.;
7:3:1:44 Quantum confinement in perovskite oxide heterostructures: Tight binding instead of a nearly free electron picture
DOI:10.1103/PhysRevB.88.125401 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Zhong, Zhicheng;Zhang, Qinfang;Held, Karsten;
7:3:1:45 Competition between Kondo screening and magnetism at the LaAlO3/SrTiO3 interface
DOI:10.1103/PhysRevB.90.125123 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Ruhman, Jonathan;Joshua, Arjun;Ilani, Shahal;Altman, Ehud;
7:3:1:46 Intrinsic Instability of Electronic Interfaces with Strong Rashba Coupling
DOI:10.1103/PhysRevLett.109.196401 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:12 AU: Caprara, S.;Peronaci, F.;Grilli, M.;
7:3:1:47 Thermopower in oxide heterostructures: The importance of being multiple-band conductors
DOI:10.1103/PhysRevB.86.195301 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Filippetti, A.;Delugas, P.;Verstraete, M. J.;Pallecchi, I.;Gadaleta, A.;Marre, D.;Li, D. F.;Gariglio, S.;Fiorentini, V.;
7:3:1:48 Thickness-dependent carrier density at the surface of SrTiO3 (111) slabs
DOI:10.1103/PhysRevB.89.075303 JN:PHYSICAL REVIEW B PY:2014 TC:3 AU: Sivadas, N.;Dixit, H.;Cooper, Valentino R.;Xiao, Di;
7:3:1:49 Tuning the Interface Conductivity of LaAlO3/SrTiO3 Using Ion Beams: Implications for Patterning
DOI:10.1021/nn4028135 JN:ACS NANO PY:2013 TC:9 AU: Mathew, Sinu;Annadi, Anil;Chan, Taw Kuei;Asmara, Teguh Citra;Zhan, Da;Wang, Xiao Renshaw;Azimi, Sara;Shen, Zexiang;Rusydi, Andrivo;Ariando;Breese, Mark B. H.;Venkatesan, T.;
7:3:1:50 Direct patterning of functional interfaces in oxide heterostructures
DOI:10.1063/1.3679379 JN:APPLIED PHYSICS LETTERS PY:2012 TC:16 AU: Banerjee, N.;Huijben, M.;Koster, G.;Rijnders, G.;
7:3:1:51 Upper Limit to Magnetism in LaAlO3/SrTiO3 Heterostructures
DOI:10.1103/PhysRevLett.107.217201 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:24 AU: Fitzsimmons, M. R.;Hengartner, N. W.;Singh, S.;Zhernenkov, M.;Bruno, F. Y.;Santamaria, J.;Brinkman, A.;Huijben, M.;Molegraaf, H. J. A.;de la Venta, J.;Schuller, Ivan K.;
7:3:1:52 Electronic Subband Reconfiguration in a d(0)-Perovskite Induced by Strain-Driven Structural Transformations
DOI:10.1103/PhysRevLett.109.226601 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:2 AU: Laukhin, V.;Copie, O.;Rozenberg, M. J.;Weht, R.;Bouzehouane, K.;Reyren, N.;Jacquet, E.;Bibes, M.;Barthelemy, A.;Herranz, G.;
7:3:1:53 Localization of two-dimensional electron gas in LaAlO3/SrTiO3 heterostructures
DOI:10.1103/PhysRevB.85.161407 JN:PHYSICAL REVIEW B PY:2012 TC:11 AU: Hernandez, T.;Bark, C. W.;Felker, D. A.;Eom, C. B.;Rzchowski, M. S.;
7:3:1:54 Emerging magnetism and electronic phase separation at titanate interfaces
DOI:10.1103/PhysRevB.88.201104 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Pavlenko, N.;Kopp, T.;Mannhart, J.;
7:3:1:55 Understanding the interactions between oxygen vacancies at SrTiO3 (001) surfaces
DOI:10.1103/PhysRevB.90.064106 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Zhuang, Houlong L.;Ganesh, P.;Cooper, Valentino R.;Xu, Haixuan;Kent, P. R. C.;
7:3:1:56 Ferromagnetism in Itinerant Two-Dimensional t(2g) Systems
DOI:10.1103/PhysRevLett.110.206401 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:11 AU: Chen, Gang;Balents, Leon;
7:3:1:57 Persistent optically induced magnetism in oxygen-deficient strontium titanate
DOI:10.1038/NMAT3914 JN:NATURE MATERIALS PY:2014 TC:9 AU: Rice, W. D.;Ambwani, P.;Bombeck, M.;Thompson, J. D.;Haugstad, G.;Leighton, C.;Crooker, S. A.;
7:3:1:58 Magnetotransport effects in polar versus non-polar SrTiO3 based heterostructures
DOI:10.1103/PhysRevB.86.121104 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Flekser, E.;Ben Shalom, M.;Kim, M.;Bell, C.;Hikita, Y.;Hwang, H. Y.;Dagan, Y.;
7:3:1:59 Ab initio study of the two-dimensional metallic state at the surface of SrTiO3: Importance of oxygen vacancies
DOI:10.1103/PhysRevB.86.195119 JN:PHYSICAL REVIEW B PY:2012 TC:10 AU: Shen, Juan;Lee, Hunpyo;Valenti, Roser;Jeschke, Harald O.;
7:3:1:60 Multiband superconductivity and nanoscale inhomogeneity at oxide interfaces
DOI:10.1103/PhysRevB.88.020504 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Caprara, S.;Biscaras, J.;Bergeal, N.;Bucheli, D.;Hurand, S.;Feuillet-Palma, C.;Rastogi, A.;Budhani, R. C.;Lesueur, J.;Grilli, M.;
7:3:1:61 Conducting channel at the LaAlO3/SrTiO3 interface
DOI:10.1103/PhysRevB.88.161107 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Huang, Z.;Wang, X. Renshaw;Liu, Z. Q.;Lu, W. M.;Zeng, S. W.;Annadi, A.;Tan, W. L.;Qiu, X. P.;Zhao, Y. L.;Salluzzo, M.;Coey, J. M. D.;Venkatesan, T.;Ariando;
7:3:1:62 Quantum oscillations from a two-dimensional electron gas at a Mott/band insulator interface
DOI:10.1063/1.4758989 JN:APPLIED PHYSICS LETTERS PY:2012 TC:12 AU: Moetakef, Pouya;Ouellette, Daniel G.;Williams, James R.;Allen, S. James;Balents, Leon;Goldhaber-Gordon, David;Stemmer, Susanne;
7:3:1:63 Transistor operation and mobility enhancement in top-gated LaAlO3/SrTiO3 heterostructures
DOI:10.1063/1.4820449 JN:APPLIED PHYSICS LETTERS PY:2013 TC:9 AU: Hosoda, Masayuki;Hikita, Yasuyuki;Hwang, Harold Y.;Bell, Christopher;
7:3:1:64 Nature of Weak Magnetism in SrTiO3/LaAlO3 Multilayers
DOI:10.1103/PhysRevLett.109.257207 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:15 AU: Salman, Z.;Ofer, O.;Radovic, M.;Hao, H.;Ben Shalom, M.;Chow, K. H.;Dagan, Y.;Hossain, M. D.;Levy, C. D. P.;MacFarlane, W. A.;Morris, G. M.;Patthey, L.;Pearson, M. R.;Saadaoui, H.;Schmitt, T.;Wang, D.;Kiefl, R. F.;
7:3:1:65 Emergent phenomena at oxide interfaces
DOI:10.1038/NMAT3223 JN:NATURE MATERIALS PY:2012 TC:468 AU: Hwang, H. Y.;Iwasa, Y.;Kawasaki, M.;Keimer, B.;Nagaosa, N.;Tokura, Y.;
7:3:1:66 Locally enhanced conductivity due to the tetragonal domain structure in LaAlO3/SrTiO3 heterointerfaces
DOI:10.1038/NMAT3753 JN:NATURE MATERIALS PY:2013 TC:24 AU: Kalisky, Beena;Spanton, Eric M.;Noad, Hilary;Kirtley, John R.;Nowack, Katja C.;Bell, Christopher;Sato, Hiroki K.;Hosoda, Masayuki;Xie, Yanwu;Hikita, Yasuyuki;Woltmann, Carsten;Pfanzelt, Georg;Jany, Rainer;Richter, Christoph;Hwang, Harold Y.;Mannhart, Jochen;Moler, Kathryn A.;
7:3:1:67 Rashba induced magnetoconductance oscillations in the LaAlO3-SrTiO3 heterostructure
DOI:10.1103/PhysRevB.86.201105 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;Phonon softening and dispersion in EuTiO3;PHYSICAL REVIEW B;86;22;220301;10.1103/PhysRevB.86.220301;DEC 4 2012;2012;We measured phonon dispersion in single-crystal EuTiO3 using inelastic;x-ray scattering. Astructural transition to an antiferrodistortive phase;was found at a critical temperature T-0 = 287 +/- 1K using powder and;single-crystal x-ray diffraction. Clear softening of the zone boundary;R-point q = (0.5 0.5 0.5) acoustic phonon shows this to be a displacive;transition. The mode energy plotted against reduced temperature could be;seen to nearly overlap that of SrTiO3, suggesting a universal scaling;relation. Phonon dispersion was measured along Gamma-X (0 0 0) -> (0.5 0;0). Mode eigenvectors were obtained from a shell model consistent with;the q dependence of intensity and energy, which also showed that the;dispersion is nominally the same as in SrTiO3 at room temperature, but;corrected for mass. The lowest-energy optical mode, determined to be of;Slater character, softens approximately linearly with temperature until;the 70-100 K range where the softening stops, and at low temperature,;the mode disperses linearly near the zone center.;7;0;0;0;7;1098-0121;WOS:000311910600001;;;J;Fock, J.;Leijnse, M.;Jennum, K.;Zyazin, A. S.;Paaske, J.;Hedegard, P.;Nielsen, M. Brondsted;van der Zant, H. S. J.;Manipulation of organic polyradicals in a single-molecule transistor;PHYSICAL REVIEW B;86;23;235403;10.1103/PhysRevB.86.235403;DEC 4 2012;2012;Inspired by cotunneling spectroscopy of spin-states in a single;OPE5-based molecule, we investigate the prospects for electric control;of magnetism in purely organic molecules contacted in a three-terminal;geometry. Using the gate electrode, the molecule is reversibly switched;between three different redox states, with magnetic spectra revealing;both ferromagnetic and antiferromagnetic exchange couplings on the;molecule. These observations are shown to be captured by an effective;low-energy Heisenberg model, which we substantiate microscopically by a;simple valence bond description of the molecule. These preliminary;findings suggest an interesting route towards functionalized all-organic;molecular magnetism.;Fock, Jeppe/A-9074-2011;Fock, Jeppe/0000-0002-7515-4026;3;0;0;0;3;1098-0121;WOS:000311911100003;;;J;Li, P. H. Y.;Bishop, R. F.;Campbell, C. E.;Farnell, D. J. J.;Goetze, O.;Richter, J.;Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice;PHYSICAL REVIEW B;86;21;214403;10.1103/PhysRevB.86.214403;DEC 4 2012;2012;We use the coupled-cluster method to study the zero-temperature;properties of an extended two-dimensional Heisenberg antiferromagnet;formed from spin-1/2 moments on an infinite spatially anisotropic kagome;lattice of corner-sharing isosceles triangles, with nearest-neighbor;bonds only. The bonds have exchange constants J(1) > 0 along two of the;three lattice directions and J(2) = kappa J(1) > 0 along the third. In;the classical limit, the ground-state (GS) phase for kappa < 1/2 has;collinear ferrimagnetic (Neel') order where the J(2)-coupled chain spins;are ferromagnetically ordered in one direction with the remaining spins;aligned in the opposite direction, while for kappa > 1/2 there exists an;infinite GS family of canted ferrimagnetic spin states, which are;energetically degenerate. For the spin-1/2 case, we find that quantum;analogs of both these classical states continue to exist as stable GS;phases in some regions of the anisotropy parameter kappa, namely, for 0;< kappa < kappa(c1) for the Neel' state and for (at least part of) the;region kappa > kappa(c2) for the canted phase. However, they are now;separated by a paramagnetic phase without either sort of magnetic order;in the region kappa(c1) < kappa < kappa(c2), which includes the;isotropic kagome point kappa = 1 where the stable GS phase is now;believed to be a topological (Z(2)) spin liquid. Our best numerical;estimates are kappa(c1) = 0.515 +/- 0.015 and kappa(c2) = 1.82 +/- 0.03.;Richter, Johannes/A-6339-2009; Bishop, Raymond/D-9715-2012;Bishop, Raymond/0000-0001-5565-0658;4;0;0;0;4;1098-0121;WOS:000311910100002;;;J;Monozon, B. S.;Schmelcher, P.;Bound and resonant impurity states in a narrow gapped armchair graphene;nanoribbon;PHYSICAL REVIEW B;86;24;245404;10.1103/PhysRevB.86.245404;DEC 4 2012;2012;An analytical study of discrete and resonant impurity quasi-Coulomb;states in a narrow gapped armchair graphene nanoribbon (GNR) is;performed. We employ the adiabatic approximation assuming that the;motions parallel ("slow") and perpendicular ("fast") to the boundaries;of the ribbon are separated adiabatically. The energy spectrum comprises;a sequence of series of quasi-Rydberg levels relevant to the slow motion;adjacent from the low energies to the size-quantized levels associated;with the fast motion. Only the series attributed to the ground;size-quantized subband is really discrete, while others corresponding to;the excited subbands consist of quasidiscrete (Fano resonant) levels of;nonzero energetic widths, caused by the coupling with the states of the;continuous spectrum branching from the low lying subbands. In the;two-and three-subband approximation the spectrum of the complex energies;of the impurity electron is derived in an explicit form. Narrowing the;GNR leads to an increase of the binding energy and the resonant width;both induced by the finite width of the ribbon. Displacing the impurity;center from the midpoint of the GNR causes the binding energy to;decrease, while the resonant width of the first excited Rydberg series;increases. As for the second excited series, their widths become;narrower with the shift of the impurity. A successful comparison of our;analytical results with those obtained by other theoretical and;experimental methods is presented. Estimates of the binding energies and;the resonant widths taken for the parameters of typical GNRs show that;not only the strictly discrete but also some resonant states are quite;stable and could be studied experimentally in doped GNRs.;Monozon, Boris/E-6412-2012; Schmelcher, Peter/D-9592-2014;Schmelcher, Peter/0000-0002-2637-0937;0;0;0;0;0;1098-0121;WOS:000311911900002;;;J;Thiaville, Andre;Vukadinovic, Nicolas;Acher, Olivier;Sum rule for the magnetic permeability of arbitrary textures;PHYSICAL REVIEW B;86;21;214404;10.1103/PhysRevB.86.214404;DEC 4 2012;2012;The f-sum rule for the magnetic permeability, derived previously for an;assembly of isolated macrospins, is generalized for an arbitrary;nonuniform three-dimensional magnetization texture, in which the;magnetizations at different points are coupled by exchange and;magnetostatic interactions. The sum value depends only on the magnetic;texture at rest. It has no direct contribution from the exchange energy,;but depends on the anisotropy, applied field, and demagnetizing;energies. The derived formula is tested against numerical calculations;for several complex and very different magnetization structures. This;generalized sum rule should be useful for experiments, numerical;simulations, and metrology.;1;0;0;0;1;1098-0121;WOS:000311910100003;;;J;Troc, R.;Gajek, Z.;Pikul, A.;Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as;seen in magnetic, transport, and specific-heat data;PHYSICAL REVIEW B;86;22;224403;10.1103/PhysRevB.86.224403;DEC 4 2012;2012;Single-crystalline UGe2 was investigated by means of magnetic;susceptibility, magnetization, electrical resistivity,;magnetoresistivity, and specific-heat measurements, all carried out in;wide temperature and magnetic-field ranges. An analysis of the obtained;data points out the dual behavior of the 5f electrons in this compound,;i. e., possessing simultaneously local and itinerant characters in two;substates. The magnetic and thermal characteristics of the compound were;modeled using the effective crystal field (CF) in the intermediate;coupling scheme and initial parameters obtained in the angular overlap;model. Various configurations of the localized 5f(n) (n = 1, 2, and 3);electrons on the uranium ion have been probed. The best results were;obtained for the 5f(2) (U4+) configuration. The CF parameters obtained;in the paramagnetic region allowed us to reproduce satisfactorily the;experimental findings in the whole temperature range including also the;magnitude of the ordered magnetic moment of uranium at low temperature.;The electrical resistivity data after subtraction of the phonon;contribution reveal the presence of a Kondo-like interaction in UGe2;supporting the idea of partial localization of the 5f electrons in UGe2.;On the other hand, magnetoresistivity and an excess of specific heat;originated from the hybridized (itinerant) part of 5f states, apparent;around the characteristic temperature T*, give a distinct signature for;the presence of the coupled charge-density wave and spin-density wave;fluctuations over all the ferromagnetic region with a maximum at T*,;postulated earlier in the literature.;7;0;0;0;7;1098-0121;WOS:000311910600004;;;J;Williams, T. J.;Yamani, Z.;Butch, N. P.;Luke, G. M.;Maple, M. B.;Buyers, W. J. L.;Neutron scattering study of URu2-xRexSi2 (x=0.10): Driving order towards;quantum criticality;PHYSICAL REVIEW B;86;23;235104;10.1103/PhysRevB.86.235104;DEC 4 2012;2012;We report inelastic neutron scattering measurements in the hidden order;state of URu2-xRexSi2 with x = 0.10. We observe that towards the;ferromagnetic quantum critical point induced by the negative chemical;pressure of Re doping, the gapped incommensurate fluctuations are robust;and comparable in intensity to the parent material. As the Re doping;moves the system toward the quantum critical point, the commensurate;spin fluctuations related to hidden order weaken, display a shortened;lifetime, and slow down. Halfway to the quantum critical point, the;hidden order phase survives, albeit weakened, in contrast to its;destruction by hydrostatic pressure and by positive chemical pressure;from Rh doping.;yamani, zahra/B-7892-2012; Luke, Graeme/A-9094-2010;0;0;0;0;0;1098-0121;WOS:000311911100001;;;J;Wolfowicz, Gary;Simmons, Stephanie;Tyryshkin, Alexei M.;George, Richard E.;Riemann, Helge;Abrosimov, Nikolai V.;Becker, Peter;Pohl, Hans-Joachim;Lyon, Stephen A.;Thewalt, Mike L. W.;Morton, John J. L.;Decoherence mechanisms of Bi-209 donor electron spins in isotopically;pure Si-28;PHYSICAL REVIEW B;86;24;245301;10.1103/PhysRevB.86.245301;DEC 4 2012;2012;Bismuth (Bi-209) is the deepest group V donor in silicon and possesses;the most extreme characteristics such as a 9/2 nuclear spin and a 1.5;GHz hyperfine coupling. These lead to several potential advantages for a;Si:Bi donor electron spin qubit compared to the more common phosphorus;donor. Most previous studies on Si: Bi have been performed using natural;silicon where linewidths and electron spin coherence times are limited;by the presence of Si-29 impurities. Here, we describe electron spin;resonance (ESR) and electron nuclear double resonance (ENDOR) studies on;Bi-209 in isotopically pure Si-28. ESR and ENDOR linewidths, transition;probabilities, and coherence times are understood in terms of the spin;Hamiltonian parameters showing a dependence on field and m(I) of the;Bi-209 nuclear spin. We explore various decoherence mechanisms;applicable to the donor electron spin, measuring coherence times up to;700 ms at 1.7 K at X band, comparable with Si-28:P. Importantly, the;coherence times we measure follow closely to the calculated field;gradients of the transition frequencies (df/dB), providing a strong;motivation to explore "clock" transitions where coherence lifetimes;could be further enhanced.;Morton, John/I-3515-2013;6;1;0;0;6;1098-0121;WOS:000311911900001;;;J;Armbruster, Oskar;Lungenschmied, Christoph;Bauer, Siegfried;Investigation of trap states and mobility in organic semiconductor;devices by dielectric spectroscopy: Oxygen-doped P3HT:PCBM solar cells;PHYSICAL REVIEW B;86;23;235201;10.1103/PhysRevB.86.235201;DEC 3 2012;2012;We investigate the dielectric response of solar cell devices based on;oxygen-doped poly(3-hexylthiophene):[6,6]-phenyl-C-61-butyric acid;methyl ester (P3HT:PCBM) blends as a function of temperature between 133;K and 303 K. The spectra are analyzed using a recently introduced model;[O. Armbruster, C. Lungenschmied, and S. Bauer, Phys. Rev. B 84, 085208;(2011)] which is based on a trapping and reemission mechanism of charge;carriers. A dominating trap depth of 130 meV is determined and the;broadening of this trap level identified as purely thermal. In addition;we estimate the density of charge carriers after doping as well as their;mobility. We show that the concentration of mobile holes approximately;doubles by heating the device from the lowest to the highest measured;temperature. This is indicative of a second, shallow trap level of;approximately 14 meV. Dielectric spectroscopy hence proves to be a;valuable tool to assess device parameters such as dopant concentration,;charge carrier transport characteristics, and mobility which are of;crucial interest for understanding degradation in organic semiconductor;devices.;Bauer, Siegfried/A-2354-2009; Armbruster, Oskar/G-1154-2014;Armbruster, Oskar/0000-0002-4235-4451;3;0;0;0;3;1098-0121;WOS:000311806300004;;;J;Chen, Bo;Abbey, Brian;Dilanian, Ruben;Balaur, Eugeniu;van Riessen, Grant;Junker, Mark;Tran, Chanh Q.;Jones, Michael W. M.;Peele, Andrew G.;McNulty, Ian;Vine, David J.;Putkunz, Corey T.;Quiney, Harry M.;Nugent, Keith A.;Diffraction imaging: The limits of partial coherence;PHYSICAL REVIEW B;86;23;235401;10.1103/PhysRevB.86.235401;DEC 3 2012;2012;Coherent diffraction imaging (CDI) typically requires that the source;should be highly coherent both laterally and longitudinally. In this;paper, we demonstrate that lateral and longitudinal partial coherence;can be successfully included in a CDI reconstruction algorithm;simultaneously using experimental x-ray data. We study the interplay;between lateral partial coherence and longitudinal partial coherence and;their relative influence on CDI. We compare our results against the;coherence criteria published by Spence et al. [Spence et al.,;Ultramicroscopy 101, 149 (2004)] and show that for iterative ab initio;phase-recovery algorithms based on those typically used in CDI and in;cases where the coherence properties are known, we are able to relax the;minimal coherence requirements by a factor of 2 both laterally and;longitudinally, potentially yielding significant reduction in exposure;time.;Jones, Michael/M-6895-2013; Abbey, Brian/D-3274-2011;Jones, Michael/0000-0002-0720-8715;;5;1;0;0;5;1098-0121;WOS:000311806300008;;;J;Gawarecki, Krzysztof;Lueker, Sebastian;Reiter, Doris E.;Kuhn, Tilmann;Glaessl, Martin;Axt, Vollrath Martin;Grodecka-Grad, Anna;Machnikowski, Pawel;Dephasing in the adiabatic rapid passage in quantum dots: Role of;phonon-assisted biexciton generation;PHYSICAL REVIEW B;86;23;235301;10.1103/PhysRevB.86.235301;DEC 3 2012;2012;We study the evolution of an exciton confined in a quantum dot;adiabatically controlled by a frequency-swept (chirped) laser pulse in;the presence of carrier-phonon coupling. We focus on the dynamics;induced by a linearly polarized beam and analyze the decoherence due to;phonon-assisted biexciton generation. We show that if the biexciton;state is shifted down by a few meV, as is typically the case, then the;resulting decoherence is strong even at low temperatures. As a result,;efficient state preparation is restricted to a small parameter area;corresponding to low temperatures, positive chirps, and moderate pulse;areas.;Kuhn, Tilmann/C-1190-2008;6;0;0;0;6;1098-0121;WOS:000311806300006;;;J;Hellstrom, Matti;Spangberg, Daniel;Hermansson, Kersti;Broqvist, Peter;Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface;PHYSICAL REVIEW B;86;23;235302;10.1103/PhysRevB.86.235302;DEC 3 2012;2012;The formation of Cu dimers on the ZnO(10 (1) over bar0) surface has been;studied using hybrid density functional theory. Depending on the;adsorption site, Cu atoms are found to adsorb with either oxidation;state 0 or +1. In the latter case, the Cu atom has donated an electron;to the ZnO conduction band. The two modes of adsorption display similar;stability at low coverages, while at higher coverages the neutral;species is more stable. Single Cu atoms diffuse across the ZnO(10 (1);over bar0) surface with small barriers of migration (0.3-0.4 eV) along;ZnO[1 (2) over bar 10], repeatedly switching their oxidation states,;while the barrier along ZnO[0001] is significantly higher (>1.5 eV). The;formation of a Cu dimer from two adsorbed Cu atoms is energetically;favorable with two competing structures of similar stability, both being;charge neutral. The minimum energy paths for Cu atom diffusion and dimer;formation are characterized by at least one of the two Cu atoms being in;oxidation state 0.;5;0;0;0;5;1098-0121;WOS:000311806300007;;;J;Huang, Yu-Kun;Chen, Pochung;Kao, Ying-Jer;Accurate computation of low-temperature thermodynamics for quantum spin;chains;PHYSICAL REVIEW B;86;23;235102;10.1103/PhysRevB.86.235102;DEC 3 2012;2012;We apply the biorthonormal transfer-matrix renormalization group (BTMRG);[Huang, Phys. Rev. E 83, 036702 (2011)] to study low-temperature;properties of quantum spin chains. Simulations on anisotropic Heisenberg;spin-1/2 chains demonstrate that the BTMRG outperforms the conventional;transfer-matrix renormalization group by successfully accessing far;lower temperature than previously reported, while retaining the same;level of accuracy. The power of the method is further illustrated by the;calculation of the low-temperature specific heat for a frustrated spin;chain.;Kao, Ying Jer/B-5297-2009; Chen, Pochung/G-1241-2010;Kao, Ying Jer/0000-0002-3329-6018;;4;0;0;0;4;1098-0121;WOS:000311806300002;;;J;Kim, Jin Hee;Rhyee, Jong-Soo;Kwon, Yong Seung;Magnon gap formation and charge density wave effect on thermoelectric;properties in the SmNiC2 compound;PHYSICAL REVIEW B;86;23;235101;10.1103/PhysRevB.86.235101;DEC 3 2012;2012;We studied the electrical, thermal, and thermoelectric properties of the;polycrystalline compound of SmNiC2. The electrical resistivity and;magnetization measurement show the interplay between the charge density;wave at T-CDW = 150 K and the ferromagnetic ordering of T-c = 18 K.;Below the ferromagnetic transition temperature, we observed the magnon;gap formation of Delta similar or equal to 4.3- 4.4 meV by rho(T) and;C-p (T) measurements. The charge density wave is attributed to the;increase of the Seebeck coefficient resulting in the increase of the;power factor S-2 sigma. The thermal conductivity anomalously increases;with increasing temperature along the whole measured temperature range,;which implies the weak attribution of Umklapp phonon scattering. The;thermoelectric figure of merit ZT significantly increases due to the;increase of the power factor at T-CDW = 150 K. Here we argue that the;competing interaction between electron-phonon and electron-magnon;couplings exhibits the unconventional behavior of electrical and thermal;properties.;6;0;1;0;6;1098-0121;WOS:000311806300001;;;J;Osorio-Guillen, J. M.;Larrauri-Pizarro, Y. D.;Dalpian, G. M.;Pressure-induced metal-insulator transition and absence of magnetic;order in FeGa3 from a first-principles study;PHYSICAL REVIEW B;86;23;235202;10.1103/PhysRevB.86.235202;DEC 3 2012;2012;The intermetallic compound FeGa3 is a narrow-gap semiconductor with a;measured gap between 0.2 and 0.6 eV. The presence of iron d states on;the top of the valence band and on the bottom of the conduction band,;together with its moderate electronic correlation (U/W similar to 0.6),;have led to the question of whether there is magnetic order in this;compound. We have examined the possible presence of magnetism in FeGa3;as well as its electronic structure at high pressures, using the density;functional theory (DFT) + U method with the intermediated;double-counting scheme. We have found that for an optimized value of the;Yukawa screening length., there is no magnetic moment on the iron ions;(mu = 0), implying that FeGa3 is nonmagnetic. We have also found that;around a pressure of 25 GPa a metal-insulator transition takes place.;Osorio-Guillen, Jorge/B-7587-2008; Dalpian, Gustavo/B-9746-2008;Osorio-Guillen, Jorge/0000-0002-7384-8999;;3;0;0;0;3;1098-0121;WOS:000311806300005;;;J;Yuan, Xun;Zhang, Yubo;Abtew, Tesfaye A.;Zhang, Peihong;Zhang, Wenqing;VO2: Orbital competition, magnetism, and phase stability;PHYSICAL REVIEW B;86;23;235103;10.1103/PhysRevB.86.235103;DEC 3 2012;2012;The relative phase stability of VO2 is one of the most fundamental;issues concerning the metal-insulator transition in this material but;has been so far largely unexplored theoretically. We investigate the;relative stability of various phases of VO2 using different levels of;energy functionals within density functional theory (DFT). It is found;that straightforward applications of several popular energy functionals,;including the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, result in;a wrong prediction for the ground state of VO2. In particular, although;the HSE and DFT + U methods are able to produce a band gap in the M-1;phase, they strongly favor the formation of local magnetic moments, a;result that clearly disagrees with experiments. We also examine the;effect of the occupation and the redistribution of the d derived t(2g);(i.e., d(xz), d(yz), and d(x2-y2)) orbitals of V atoms on the calculated;relative phase stability of VO2. We find that a small change in d;occupation can result in a drastically different theoretical prediction.;With the introduction of an orbital-dependent potential, a complete;separation between the d(x2-y2) derived valence band and d(xz) and d(yz);derived conduction bands in the M-1 phase is achieved, resulting in a;slight redistribution of the d occupation and a more faithful account of;the polarization of the t(2g) orbitals. This slight rearrangement of the;d occupation also leads to a relative phase stability of VO2 ( including;structural and magnetic phases) that agrees well with experiment.;Zhang, Wenqing/K-1236-2012; Zhang, Peihong/D-2787-2012;4;0;0;0;4;1098-0121;WOS:000311806300003;;;J;Campi, Davide;Bernasconi, Marco;Benedek, Giorgio;Electronic properties and lattice dynamics of the As(111) surface;PHYSICAL REVIEW B;86;24;245403;10.1103/PhysRevB.86.245403;DEC 3 2012;2012;The bulk and surface electronic and structural properties of As(111);have been studied with first-principles methods. The inclusion of;spin-orbit interaction reveals that As shares the same topologically;nontrivial order of the bulk electronic bands of Sb which gives rise to;two spin-polarized surface states connecting valence-like and;conduction-like states. Bulk and surface phonons have been calculated by;means of density functional perturbation theory. The surface phonon;bands reveal features related to a remarkable stiffening of the surface;bilayer with respect to the bulk ones similarly to what is measured for;the Bi(111) and to what is expected for the Sb(111) surface.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000311806500003;;;J;Chakraborty, Akash;Wenk, Paul;Bouzerar, Richard;Bouzerar, Georges;Spontaneous magnetization in the presence of nanoscale inhomogeneities;in diluted magnetic systems;PHYSICAL REVIEW B;86;21;214402;10.1103/PhysRevB.86.214402;DEC 3 2012;2012;The presence of nanoscale inhomogeneities has been experimentally;evidenced in several diluted magnetic systems, which in turn often leads;to interesting physical phenomena. However, a proper theoretical;understanding of the underlying physics is lacking in most of the cases.;Here, we present a detailed and comprehensive theoretical study of the;effects of nanoscale inhomogeneities on the temperature-dependent;spontaneous magnetization in diluted magnetic systems, which is found to;exhibit an unusual and unconventional behavior. The effects of impurity;clustering on the magnetization response have hardly been studied until;now. We show that nanosized clusters of magnetic impurities can lead to;drastic effects on the magnetization compared to that of homogeneously;diluted compounds. The anomalous nature of the magnetization curves;strongly depends on the relative concentration of the inhomogeneities as;well as the effective range of the exchange interactions. In addition,;we also provide a systematic discussion of the nature of the;distributions of the local magnetizations.;3;0;0;0;3;1098-0121;WOS:000311805500004;;;J;Dmitriev, A. P.;Gornyi, I. V.;Polyakov, D. G.;Coulomb drag between ballistic quantum wires;PHYSICAL REVIEW B;86;24;245402;10.1103/PhysRevB.86.245402;DEC 3 2012;2012;We develop a kinetic equation description of Coulomb drag between;ballistic one-dimensional electron systems, which enables us to;demonstrate that equilibration processes between right- and left-moving;electrons are crucially important for establishing dc drag. In;one-dimensional geometry, this type of equilibration requires either;backscattering near the Fermi level or scattering with small-momentum;transfer near the bottom of the electron spectrum. Importantly, pairwise;forward scattering in the vicinity of the Fermi surface alone is not;sufficient to produce a nonzero dc drag resistivity rho(D), in contrast;to a number of works that have studied Coulomb drag due to this;mechanism of scattering before. We show that slow equilibration between;two subsystems of electrons of opposite chirality, "bottlenecked" by;inelastic collisions involving cold electrons near the bottom of the;conduction band, leads to a strong suppression of Coulomb drag, which;results in an activation dependence of rho(D) on temperature, instead of;the conventional power law. We demonstrate the emergence of a drag;regime in which rho(D) does not depend on the strength of interwire;interactions, while depending strongly on the strength of interactions;inside the wires.;4;0;0;0;4;1098-0121;WOS:000311806500002;;;J;Etz, Corina;Costa, Marcio;Eriksson, Olle;Bergman, Anders;Accelerating the switching of magnetic nanoclusters by anisotropy-driven;magnetization dynamics;PHYSICAL REVIEW B;86;22;224401;10.1103/PhysRevB.86.224401;DEC 3 2012;2012;In this work, the magnetization dynamics of clusters supported on;nonmagnetic substrates is shown to exhibit a complex response when;subjected to external magnetic fields. The field-driven magnetization;reversal of small Co clusters deposited on a Cu(111) surface has been;studied by means of first-principles calculations and atomistic spin;dynamics simulations. For applied fields ranging from 1 to 10 Tesla, we;observe a coherent magnetization reversal with switching times in the;range of several tenths of picoseconds to several nanoseconds, depending;on the field strength. We find a nonmonotonous dependence of the;switching times with respect to the strength of the applied field, which;we prove has its origin in the complex magnetic anisotropy landscape of;these low-dimensional systems. This effect is shown to be stable for;temperatures around 10 K, and is possible to realize over a range of;exchange interactions and anisotropy landscapes. Possible experimental;routes to achieve this unique switching behavior are discussed.;Bergman, Anders/H-7996-2012; Etz, Corina/E-3112-2014; Eriksson, Olle/E-3265-2014;Bergman, Anders/0000-0002-5134-1978;;3;1;0;0;3;1098-0121;WOS:000311805700003;;;J;Harada, S.;Zhou, J. J.;Yao, Y. G.;Inada, Y.;Zheng, Guo-qing;Abrupt enhancement of noncentrosymmetry and appearance of a spin-triplet;superconducting state in Li-2(Pd1-xPtx)(3)B beyond x=0.8;PHYSICAL REVIEW B;86;22;220502;10.1103/PhysRevB.86.220502;DEC 3 2012;2012;We report synthesis, Pt-195, B-11, and Li-7 NMR measurements, and;first-principles band calculations for noncentrosymmetric;superconductors Li-2(Pd1-xPtx)(3)B (x = 0, 0.2, 0.5, 0.8, 0.84, 0.9, and;1). For 0 <= x <= 0.8, the spin-lattice relaxation rate 1/T-1 shows a;clear coherence peak just below T-c, decreasing exponentially at low;temperature, and the Knight shift K-195 decreases below Tc. For x = 0.9;and 1.0, in contrast, 1/T-1 shows no coherence peak but a T-3 variation;and K-195 remains unchanged across T-c. These results indicate that the;superconducting state changes drastically from a spin-singlet dominant;to a spin-triplet dominant state at x = 0.8. We find that the distortion;of B(Pt,Pd)(6) increases abruptly above x = 0.8, which leads to an;abrupt enhancement of the asymmetric spin-orbit coupling as confirmed by;band calculation. Such structure distortion that enhances the extent of;inversion-symmetry breaking is primarily responsible for the pairing;symmetry evolution. The insight obtained here provides a guideline for;searching for noncentrosymmetric superconductors with a large;spin-triplet component.;Yao, Yugui/A-8411-2012; Zheng, Guo-qing/B-1524-2011;6;0;0;0;6;1098-0121;WOS:000311805700002;;;J;Huang, C. L.;Fritsch, V.;Kittler, W.;v. Loehneysen, H.;Low-temperature properties of CeAu2Ge2 single crystals grown from Au-Ge;and Sn flux;PHYSICAL REVIEW B;86;21;214401;10.1103/PhysRevB.86.214401;DEC 3 2012;2012;The specific heat of CeAu2Ge2 single crystals grown from Au-Ge (AGF) or;Sn flux (SF) was measured at temperatures T between 1.8 and 200 K. Two;magnetic transitions are observed in the zero-field specific heat at;12.1 and 14.5 K in the AGF sample, while only a single sharp transition;at 9.2 K is seen in the SF sample, confirming our recent susceptibility;results [Fritsch et al., Phys. Rev. B 84, 104446 (2011)]. We observe;several field-induced transitions in the magnetoresistance of the AGF;sample measured at 1.6 and 2.3 K in accordance with the B-T phase;diagram constructed from isothermal magnetization curves M(B). In;addition, we have measured M(B) under hydrostatic pressure P up to 10.5;kbar. The Neel temperature T-N increases linearly with P at a small rate;of 0.049 K/kbar, which suggests that, if T-N(P) is attributed to a pure;volume effect, this compound is close to the maximum transition;temperature of the Doniach diagram. The transition fields B-M between;the field-induced phases increase linearly with P as well. The;comparable Gruneisen parameters of T-N and B-M indicate that the energy;scale depending on the sample's volume is given by the antiferromagnetic;correlations and not by the Kondo effect. We discuss possible reasons;for the different magnetic behavior of AGF and SF samples.;Huang, Chien-Lung/O-2028-2013;2;0;0;0;2;1098-0121;WOS:000311805500003;;;J;Jadczak, J.;Kubisa, M.;Ryczko, K.;Bryja, L.;Potemski, M.;High magnetic field spin splitting of excitons in asymmetric GaAs;quantum wells;PHYSICAL REVIEW B;86;24;245401;10.1103/PhysRevB.86.245401;DEC 3 2012;2012;Low-temperature photoluminescence from high-quality GaAs quantum wells,;asymmetrically doped with carbon, are investigated under high magnetic;fields (up to 20 T) directed along the [001] growth axis. At higher;fields, in the sigma(-) polarized emission, we observe two well-resolved;lines which are attributed to the recombination of neutral (X) and;charged (X+) excitons. In contrast, only the neutral exciton line is;observed for the sigma(+) polarization. From the difference of the X;line positions for the two polarizations we determine the effective;Zeeman splitting of neutral excitons and then the g factor g(h) of;confined holes. We find that g(h) depends substantially on the well size;and changes the sign at moderate magnetic fields. To explain the;experimental results, the valence Landau levels are calculated using the;Luttinger model beyond the axial approximation. We demonstrate that;mainly the excited hole levels contribute to the excitonic state at;higher magnetic fields. Due to their light-hole character, resulting;from the valence-band mixing, the excited hole states have a sizable;overlap with the electron states confined far from the doped barrier.;The calculated values of g(h) are in an excellent quantitative agreement;with the experimental data.;2;0;0;0;2;1098-0121;WOS:000311806500001;;;J;Lane, Nina J.;Vogel, Sven C.;Hug, Gilles;Togo, Atsushi;Chaput, Laurent;Hultman, Lars;Barsoum, Michel W.;Neutron diffraction measurements and first-principles study of thermal;motion of atoms in select M(n+1)AX(n) and binary MX transition-metal;carbide phases;PHYSICAL REVIEW B;86;21;214301;10.1103/PhysRevB.86.214301;DEC 3 2012;2012;Herein, we compare the thermal vibrations of atoms in select ternary;carbides with the formula M(n+1)AX(n) ("MAX phases," M = Ti, Cr; A = Al,;Si, Ge; X = C, N) as determined from first-principles phonon;calculations to those obtained from high-temperature neutron powder;diffraction studies. The transition metal carbides TiC, TaC, and WC are;also studied to test our methodology on simpler carbides. Good;qualitative and quantitative agreement is found between predicted and;experimental values for the binary carbides. For all the MAX phases;studied-Ti3SiC2, Ti3GeC2, Ti2AlN, Cr2GeC and Ti4AlN3-density functional;theory calculations predict that the A element vibrates with the highest;amplitude and does so anisotropically with a higher amplitude within the;basal plane, which is in line with earlier results from high-temperature;neutron diffraction studies. In some cases, there are quantitative;differences in the absolute values between the theoretical and;experimental atomic displacement parameters (ADPs), such as reversal of;anisotropy or a systematic offset of temperature-dependent ADPs. The;mode-dependent Gruneisen parameters are also computed to explore the;anharmonicity in the system.;Lujan Center, LANL/G-4896-2012;4;0;0;0;4;1098-0121;WOS:000311805500002;;;J;Niemann, R.;Baro, J.;Heczko, O.;Schultz, L.;Faehler, S.;Vives, E.;Manosa, L.;Planes, A.;Tuning avalanche criticality: Acoustic emission during the martensitic;transformation of a compressed Ni-Mn-Ga single crystal;PHYSICAL REVIEW B;86;21;214101;10.1103/PhysRevB.86.214101;DEC 3 2012;2012;The propagation of a phase front during a thermally induced martensitic;transition is discontinuous due to pinning at various defects, an effect;which results in acoustic emission. Here we analyze the consequences of;an applied compressive stress exemplarily on a Ni50.4Mn27.9Ga21.7 single;crystal. Our experiments show that the distribution of the energies of;the acoustic emission events follows a power law for more than three;decades. This indicates that the transition exhibits avalanche;criticality. The exponent characterizing the distribution of energies;depends on the applied stress, and decreases from 1.9 +/- 0.1 at zero;stress to 1.5 +/- 0.2 at stress above 3 MPa. This decrease could be;attributed to the reduced multiplicity of variants possible under;uniaxial compression.;Niemann, Robert/F-3634-2012; Schultz, Ludwig/B-3383-2010; Manosa, Lluis/D-8579-2014; Heczko, Oleg/G-9355-2014; Vives, Eduard/I-4821-2014;Manosa, Lluis/0000-0002-1182-2670; Vives, Eduard/0000-0002-5916-7214;4;0;0;0;4;1098-0121;WOS:000311805500001;;;J;Usui, Hidetomo;Suzuki, Katsuhiro;Kuroki, Kazuhiko;Minimal electronic models for superconducting BiS2 layers;PHYSICAL REVIEW B;86;22;220501;10.1103/PhysRevB.86.220501;DEC 3 2012;2012;We construct minimal electronic models for a newly discovered;superconductor LaO1-xFxBiS2 (T-c = 10.6 K) possessing BiS2 layers based;on a first-principles band calculation. First, we obtain a model;consisting of two Bi 6p and two S 3p orbitals, which give nearly;electron-hole symmetric bands. Further focusing on the bands that;intersect the Fermi level, we obtain a model with two p orbitals. The;two bands (per BiS2 layer) have a quasi-one-dimensional character with a;double minimum dispersion, which gives good nesting of the Fermi;surface. At around x similar to 0.5 the topology of the Fermi surface;changes, so that the density of states at the Fermi level becomes large.;Possible pairing states are discussed.;42;0;0;0;42;1098-0121;WOS:000311805700001;;;J;Cammarata, Antonio;Rondinelli, James M.;Spin-assisted covalent bond mechanism in "charge-ordering" perovskite;oxides;PHYSICAL REVIEW B;86;19;195144;10.1103/PhysRevB.86.195144;NOV 30 2012;2012;First-principles density functional calculations on the metal-insulator;transition (MIT) in perovskite CaFeO3 point to local ferromagnetic;coupling as the microscopic origin for the electronic "charge order";transition. Our atomic, electronic, and magnetic structure analyses;reveal that the MIT results from a spin-assisted covalent bonding;mechanism between the O 2p and Fe 3d states with anisotropic Fe-O bonds;and negligible intersite Fe-Fe charge transfer. We suggest that control;of the lattice distortions, which mediate the covalent bond formation,;in oxides containing late transition-metal row cations in high valence;states provides a platform to tailor electronic transitions.;Rondinelli, James/A-2071-2009; Cammarata, Antonio/A-4883-2014;Rondinelli, James/0000-0003-0508-2175; Cammarata,;Antonio/0000-0002-5691-0682;7;0;0;0;7;1098-0121;WOS:000311715000003;;;J;Clem, John R.;Kogan, V. G.;Kinetic impedance and depairing in thin and narrow superconducting films;PHYSICAL REVIEW B;86;17;174521;10.1103/PhysRevB.86.174521;NOV 30 2012;2012;We use both Eilenberger-Usadel and Ginzburg-Landau (GL) theory to;calculate the superfluid's temperature-dependent kinetic inductance for;all currents up to the depairing current in thin and narrow;superconducting films. The calculations apply to BCS weak-coupling;superconductors with isotropic gaps and transport mean-free paths much;less than the BCS coherence length. The kinetic inductance is calculated;for the response to a small alternating current when the film is;carrying a dc bias current. In the slow-experiment/fast-relaxation;limit, in which the superconducting order parameter quasistatically;follows the time-dependent current, the kinetic inductance diverges as;the bias current approaches the depairing value. However, in the;fast-experiment/slow-relaxiation limit, in which the the superconducting;order parameter remains fixed at a value corresponding to the dc bias;current, the kinetic inductance rises to a finite value at the depairing;current. We then use time-dependent GL theory to calculate the kinetic;impedance of the superfluid, which includes not only the kinetic;reactance, but also the kinetic resistance of the superfluid arising;from dissipation due to order-parameter relaxation. The kinetic;resistance is largest for angular frequencies omega obeying omega tau(s);> 1, where tau(s) is the order-parameter relaxation time, and for bias;currents close to the depairing current. We also include the normal;fluid's contribution to dissipation in deriving an expression for the;total kinetic impedance. The Appendices contain many details about the;temperature-dependent behavior of superconductors carrying current up to;the depairing value.;3;0;0;0;3;1098-0121;WOS:000311714600005;;;J;Cohn, J. L.;Boynton, P.;Trivino, J. S.;Trastoy, J.;White, B. D.;dos Santos, C. A. M.;Neumeier, J. J.;Stoichiometry, structure, and transport in the quasi-one-dimensional;metal Li0.9Mo6O17;PHYSICAL REVIEW B;86;19;195143;10.1103/PhysRevB.86.195143;NOV 30 2012;2012;A correlation between lattice parameters, oxygen composition, and the;thermoelectric and Hall coefficients is presented for single-crystal;Li0.9Mo6O17, a quasi-one-dimensional (Q1D) metallic compound. The;possibility that this compound is a compensated metal is discussed in;light of a substantial variability observed in the literature for these;transport coefficients.;1;0;0;0;1;1098-0121;WOS:000311715000002;;;J;Crepaldi, A.;Ressel, B.;Cilento, F.;Zacchigna, M.;Grazioli, C.;Berger, H.;Bugnon, Ph.;Kern, K.;Grioni, M.;Parmigiani, F.;Ultrafast photodoping and effective Fermi-Dirac distribution of the;Dirac particles in Bi2Se3;PHYSICAL REVIEW B;86;20;205133;10.1103/PhysRevB.86.205133;NOV 30 2012;2012;We exploit time- and angle-resolved photoemission spectroscopy to;determine the evolution of the out-of-equilibrium electronic structure;of the topological insulator Bi2Se3. The response of the Fermi-Dirac;distribution to ultrashort IR laser pulses has been studied by modeling;the dynamics of hot electrons after optical excitation. We disentangle a;large increase in the effective temperature (T*) from a shift of the;chemical potential (mu*), which is consequence of the ultrafast;photodoping of the conduction band. The relaxation dynamics of T* and;mu* are k independent and these two quantities uniquely define the;evolution of the excited charge population. We observe that the energy;dependence of the nonequilibrium charge population is solely determined;by the analytical form of the effective Fermi-Dirac distribution.;14;1;0;0;14;1098-0121;WOS:000311715100007;;;J;Dumlich, Heiko;Reich, Stephanie;Nanotube bundles and tube-tube orientation: A van der Waals density;functional study (vol 84, 064121, 2011);PHYSICAL REVIEW B;86;17;179905;10.1103/PhysRevB.86.179905;NOV 30 2012;2012;0;0;0;0;0;1098-0121;WOS:000311714600007;;;J;Fukutani, Keisuke;Hayashi, Hirokazu;Yakovkin, Ivan N.;Habuchi, Takafumi;Hirayama, Daisuke;Jiang, Jian;Iwasawa, Hideaki;Shimada, Kenya;Losovyj, Ya. B.;Dowben, Peter A.;Enhanced electron-phonon coupling at the Au/Mo(112) surface;PHYSICAL REVIEW B;86;20;205432;10.1103/PhysRevB.86.205432;NOV 30 2012;2012;A detailed investigation of the electronic structure and electron-phonon;coupling for a Au monolayer on the Mo(112) surface is presented. The;electronic states of bulk Mo and the (112) surface-derived states are;seen to strongly hybridize with those of the Au overlayer, resulting in;the formation of surface resonance states localized near the surface and;the interface of Au/Mo(112). The experimentally extracted self-energy;due to the electron-phonon coupling on one of the surface resonance;bands gives a good quantitative agreement with the calculations. The;strength of electron-phonon coupling for Au/Mo(112) is discussed in;terms of the mass enhancement factor and is considerably larger than for;the Mo(112) surface. Such an increase in the mass enhancement factor in;the vicinity of the Fermi level likely derives from the soft surface;phonon modes created upon Au adsorption.;2;0;0;0;2;1098-0121;WOS:000311715100011;;;J;Hamada, Ikutaro;Adsorption of water on graphene: A van der Waals density functional;study;PHYSICAL REVIEW B;86;19;195436;10.1103/PhysRevB.86.195436;NOV 30 2012;2012;The van der Waals density functional (vdW-DF) was used to investigate;the interaction of a water monomer with graphene. It was found that a;variant of vdW-DF [Hamada and Otani, Phys. Rev. B 82, 153412 (2010)];predicts geometries and energetics of water on graphene which are in;good agreement with those obtained using more elaborate random-phase;approximation and quantum Monte Carlo approaches. Interfacial electronic;structures were also analyzed in detail.;Hamada, Ikutaro/E-8040-2010;Hamada, Ikutaro/0000-0001-5112-2452;12;1;0;0;12;1098-0121;WOS:000311715000010;;;J;Hofmann, D.;Kuemmel, S.;Integer particle preference during charge transfer in Kohn-Sham theory;PHYSICAL REVIEW B;86;20;201109;10.1103/PhysRevB.86.201109;NOV 30 2012;2012;We investigate the static and dynamic charge transfer that is triggered;by external electric fields in model molecular wires. A self-interaction;correction in Kohn-Sham density functional theory leads to the desired;integer electron transfers that do not occur with standard functionals;which miss Coulomb blockade effects. Analysis of the multiplicative;exchange-correlation potential in stationary cases and during real-time;propagation shows how the local exchange-correlation potential builds up;step and reverse-step structures that enforce the integer particle;preference. The role of spin-symmetry breaking is discussed.;Kummel, Stephan/K-5634-2014;8;0;0;0;8;1098-0121;WOS:000311715100002;;;J;Illg, Christian;Meyer, Bernd;Faehnle, Manfred;Frequencies and polarization vectors of phonons: Results from force;constants which are fitted to experimental data or calculated ab initio;PHYSICAL REVIEW B;86;17;174309;10.1103/PhysRevB.86.174309;NOV 30 2012;2012;The properties of phonons may be calculated from the dynamical matrix;which is determined by force constants. Often the force constants are;obtained by fitting them to experimental phonon frequencies, e. g., for;wave vectors q on high-symmetry directions of the Brillouin zone. It is;well known that these force constants do not necessarily lead to correct;frequencies for wave vectors for nonsymmetrical q and to correct;polarization vectors. In the present paper this is demonstrated by;comparing for fcc Ni, fcc Al, and bcc Fe the frequencies and;polarization vectors calculated from fitted force constants with the;results from ab initio calculated force constants. However, for most;regions of the Brillouin zone the differences between the results;obtained from the two sets of force constants are not large.;1;0;0;0;1;1098-0121;WOS:000311714600003;;;J;Iori, Federico;Rodolakis, Fanny;Gatti, Matteo;Reining, Lucia;Upton, M.;Shvyd'ko, Y.;Rueff, Jean-Pascal;Marsi, Marino;Low-energy excitations in strongly correlated materials: A theoretical;and experimental study of the dynamic structure factor in V2O3;PHYSICAL REVIEW B;86;20;205132;10.1103/PhysRevB.86.205132;NOV 30 2012;2012;This work contains an experimental and theoretical study of the dynamic;structure factor at large momentum transfer vertical bar Q vertical bar;similar to 4 angstrom(-1) of the strongly correlated transition-metal;oxide V2O3. We focus in particular on the transitions between d states;that give rise to the spectra below 6 eV. We show that the main peak in;this energy range is mainly due to t(2g) -> e(g)(sigma) transitions, and;that it carries a signature of the phase transition between the;paramagnetic insulator and the paramagnetic metal that can already be;understood from the joint density of states calculated at the level of;the static local density approximation. Instead, in order to obtain;theoretical spectra that are overall similar to the measured ones, we;have to go beyond the static approximation and include at least crystal;local field effects. The latter turn out to be crucial in order to;eliminate a spurious peak and hence allow a safe comparison between;theory and experiment, including an analysis of the strong anisotropy of;the spectra.;CSIC-UPV/EHU, CFM/F-4867-2012; Iori, Federico/E-5372-2013; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Iori, Federico/0000-0002-7677-3435;;4;0;0;0;4;1098-0121;WOS:000311715100006;;;J;Kharitonov, Maxim;Antiferromagnetic state in bilayer graphene;PHYSICAL REVIEW B;86;19;195435;10.1103/PhysRevB.86.195435;NOV 30 2012;2012;Motivated by the recent experiment of Velasco Jr. et al. [J. Velasco Jr.;et al., Nat. Nanotechnology 7, 156 (2012)], we develop a mean-field;theory of the interaction-induced antiferromagnetic (AF) state in;bilayer graphene at charge neutrality point at arbitrary perpendicular;magnetic field B. We demonstrate that the AF state can persist at all B.;At higher B, the state continuously crosses over to the AF phase of the;nu = 0 quantum Hall ferromagnet, recently argued to be realized in the;insulating nu = 0 state. The mean-field quasiparticle gap is finite at B;= 0 and grows with increasing B, becoming quasilinear in the quantum;Hall regime, in accord with the reported behavior of the transport gap.;By adjusting the two free parameters of the model, we obtain a;simultaneous quantitative agreement between the experimental and;theoretical values of the key parameters of the gap dependence-its;zero-field value and slope at higher fields. Our findings suggest that;the insulating state observed in bilayer graphene in Ref. 1 is;antiferromagnetic (canted, once the Zeeman effect is taken into account);at all magnetic fields.;19;1;0;0;19;1098-0121;WOS:000311715000009;;;J;Klos, J. W.;Kumar, D.;Romero-Vivas, J.;Fangohr, H.;Franchin, M.;Krawczyk, M.;Barman, A.;Effect of magnetization pinning on the spectrum of spin waves in;magnonic antidot waveguides;PHYSICAL REVIEW B;86;18;184433;10.1103/PhysRevB.86.184433;NOV 30 2012;2012;We study the spin-wave spectra in magnonic antidot waveguides (MAWs) for;two limiting cases (strong and negligible) of the surface anisotropy at;the ferromagnet/air interface. The MAWs under investigation have the;form of a thin stripe of permalloy with a single row of periodically;arranged antidots in the middle. The introduction of a magnetization;pinning at the edges of the permalloy stripe and the edges of antidots;is found to modify the spin-wave spectrum. This effect is shown to be;necessary for magnonic gaps to open in the considered systems. Our study;demonstrates that the surface anisotropy can be crucial in the practical;applications of MAWs and related structures and in the interpretation of;experimental results in one-and two-dimensional magnonic crystals. We;used three different numerical methods, i.e., plane waves method (PWM),;finite difference method, and finite element method to validate the;results. We showed that PWM in the present formulation assumes pinned;magnetization, while in micromagnetic simulations special care must be;taken to introduce pinning.;Fangohr, Hans/C-6367-2008; Klos, Jaroslaw/G-9728-2012;Fangohr, Hans/0000-0001-5494-7193; Klos, Jaroslaw/0000-0002-5858-2950;13;2;0;0;13;1098-0121;WOS:000311714700002;;;J;Kolata, K.;Koester, N. S.;Chernikov, A.;Drexler, M. J.;Gatti, E.;Cecci, S.;Chrastina, D.;Isella, G.;Guzzi, M.;Chatterjee, S.;Dephasing in Ge/SiGe quantum wells measured by means of coherent;oscillations;PHYSICAL REVIEW B;86;20;201303;10.1103/PhysRevB.86.201303;NOV 30 2012;2012;We present a dephasing time analysis of the excitonic resonances in;Ge/SiGe quantum wells for various lattice temperatures by coherent;oscillation spectroscopy (COS). The results are compared to the;linewidths of the excitonic resonances determined from linear absorption;measurements. Additionally, COS is applied to different samples with;varying linewidth, identifying one sample with a dominating;homogeneously broadened 1s excitonic resonance down to 7 K.;Chatterjee, Sangam/E-3124-2012;2;0;0;0;2;1098-0121;WOS:000311715100003;;;J;Lang, Li-Jun;Chen, Shu;Majorana fermions in density-modulated p-wave superconducting wires;PHYSICAL REVIEW B;86;20;205135;10.1103/PhysRevB.86.205135;NOV 30 2012;2012;We study the p-wave superconducting wire with a periodically modulated;chemical potential and show that the Majorana edge states are robust;against the periodic modulation. We find that the critical amplitude of;modulated potential, at which the Majorana edge fermions and topological;phase disappear, strongly depends on the phase shifts. For some specific;values of the phase shift, the critical amplitude tends to infinity. The;existence of Majorana edge fermions in the open chain can be;characterized by a topological Z(2) invariant of the bulk system, which;can be applied to determine the phase boundary between the topologically;trivial and nontrivial superconducting phases. We also demonstrate the;existence of the zero-energy peak in the spectral function of the;topological superconducting phase, which is only sensitive to the open;boundary condition but robust against the disorder.;Lang, Li-Jun/C-2815-2014;Lang, Li-Jun/0000-0001-6038-8340;11;0;0;0;11;1098-0121;WOS:000311715100009;;;J;Lazicki, Amy;Dewaele, Agnes;Loubeyre, Paul;Mezouar, Mohamed;High-pressure-temperature phase diagram and the equation of state of;beryllium;PHYSICAL REVIEW B;86;17;174118;10.1103/PhysRevB.86.174118;NOV 30 2012;2012;X-ray diffraction of beryllium in a laser-heated diamond anvil cell;provides experimental insight into its behavior at high pressure and;temperature. We measure the cold compression of Be in helium and NaCl;pressure media up 192 GPa, and its thermal expansion up to 82 GPa and;2630 K. The new measurements form a P-V-T data set which is fit by the;Vinet-Debye form to establish a Be experimental equation of state. We;compare the results to several theoretical models. The crystal structure;of Be is determined up to 205 GPa and 4000 K; no evidence for the;predicted high-temperature transition to a cubic phase is found.;Finally, the maximum temperature stability of the solid phase along;isobaric heating ramps gives a lower bound for the melting curve.;5;0;0;0;5;1098-0121;WOS:000311714600002;;;J;Li, J.;Ekuma, C. E.;Vekhter, I.;Jarrell, M.;Moreno, J.;Stadler, S.;Karki, A. B.;Jin, R.;Physical properties of Ba2Mn2Sb2O single crystals;PHYSICAL REVIEW B;86;19;195142;10.1103/PhysRevB.86.195142;NOV 30 2012;2012;We report both experimental and theoretical investigations of the;physical properties of Ba2Mn2Sb2O single crystals. This material;exhibits a hexagonal structure with lattice constants a = 4.7029(15) A;and c = 19.9401(27) A, as obtained from powder x-ray diffraction;measurements, and in agreement with structural optimization through;density functional theory (DFT) calculations. The magnetic;susceptibility and specific heat show anomalies at T-N = 60 K,;consistent with antiferromagnetic ordering. However, the magnitude of;T-N is significantly smaller than the Curie-Weiss temperature (vertical;bar Theta(CW)vertical bar approximate to 560 K), suggesting a magnetic;system of reduced dimensionality. The temperature dependence of both the;in-plane and out-of-plane resistivity changes from activated at T > T-x;similar to 200 K to logarithmic at T < T-x. Correspondingly, the;magnetic susceptibility displays a bump at T-x. DFT calculations at the;DFT + U level support the experimental observation of an;antiferromagnetic ground state.;Vekhter, Ilya/M-1780-2013; Moreno, Juana/D-5882-2012;0;0;0;0;0;1098-0121;WOS:000311715000001;;;J;Mafra, D. L.;Kong, J.;Sato, K.;Saito, R.;Dresselhaus, M. S.;Araujo, P. T.;Using gate-modulated Raman scattering and electron-phonon interactions;to probe single-layer graphene: A different approach to assign phonon;combination modes;PHYSICAL REVIEW B;86;19;195434;10.1103/PhysRevB.86.195434;NOV 30 2012;2012;Gate-modulated and laser-dependent Raman spectroscopy have been widely;used to study q = 0 zone center phonon modes, their self-energy, and;their coupling to electrons in graphene systems. In this work we use;gate-modulated Raman of q not equal 0 phonons as a technique to;understand the nature of five second-order Raman combination modes;observed in the frequency range of 1700-2300 cm(-1) of single-layer;graphene (SLG). Anomalous phonon self-energy renormalization phenomena;are observed in all five combination modes within this intermediate;frequency region, which can clearly be distinguished from one another.;By combining the anomalous phonon renormalization effect with the double;resonance Raman theory, which includes both phonon dispersion relations;and angular dependence of the electron-phonon scattering matrix;elements, and by comparing it to the experimentally obtained phonon;dispersion, measured by using different laser excitation energies, we;can assign each Raman peak to the proper phonon combination mode. This;approach should also shed light on the understanding of more complex;structures such as few-layer graphene (FLG) and its stacking orders as;well as other two-dimensional (2D)-like materials.;Sato, Kentaro/B-7163-2008; Saito, Riichiro/B-1132-2008;Sato, Kentaro/0000-0001-6706-2175;;5;2;1;0;5;1098-0121;WOS:000311715000008;;;J;Mazza, Giacomo;Fabrizio, Michele;Dynamical quantum phase transitions and broken-symmetry edges in the;many-body eigenvalue spectrum;PHYSICAL REVIEW B;86;18;184303;10.1103/PhysRevB.86.184303;NOV 30 2012;2012;Many-body models undergoing a quantum phase transition to a;broken-symmetry phase that survives up to a critical temperature must;possess, in the ordered phase, symmetric as well as nonsymmetric;eigenstates. We predict, and explicitly show in the fully connected;Ising model in a transverse field, that these two classes of eigenstates;do not overlap in energy, and therefore that an energy edge exists;separating low-energy symmetry-breaking eigenstates from high-energy;symmetry-invariant ones. This energy is actually responsible, as we;show, for the dynamical phase transition displayed by this model under a;sudden large increase of the transverse field. A second situation we;consider is the opposite, where the symmetry-breaking eigenstates are;those in the high-energy sector of the spectrum, whereas the low-energy;eigenstates are symmetric. In that case too a special energy must exist;marking the boundary and leading to unexpected out-of-equilibrium;dynamical behavior. An example is the fermonic repulsive Hubbard model;Hamiltonian H. Exploiting the trivial fact that the high-energy spectrum;of H is also the low-energy one of -H, we conclude that the high-energy;eigenstates of the Hubbard model are superfluid. Simulating in a;time-dependent Gutzwiller approximation the time evolution of a;high-energy BCS-like trial wave function, we show that a small;superconducting order parameter will actually grow in spite of the;repulsive nature of the interaction.;fabrizio, michele/N-3762-2014;2;0;0;0;2;1098-0121;WOS:000311714700001;;;J;Mueller, T.;Aharonovich, I.;Wang, Z.;Yuan, X.;Castelletto, S.;Prawer, S.;Atatuere, M.;Phonon-induced dephasing of chromium color centers in diamond;PHYSICAL REVIEW B;86;19;195210;10.1103/PhysRevB.86.195210;NOV 30 2012;2012;We report on the coherence properties of single photons from;chromium-based color centers in diamond. We use field-correlation and;spectral line-shape measurements to reveal the interplay between slow;spectral wandering and fast dephasing mechanisms as a function of;temperature. The zero-phonon transition frequency and its linewidth;follow a power-law dependence on temperature, which is consistent with;direct electron-phonon coupling and phonon-modulated Coulomb coupling to;nearby impurities, which are the predominant fast dephasing mechanisms;for these centers. Further, the observed reduction in the quantum yield;for photon emission as a function of temperature suggests the opening of;additional nonradiative channels through thermal activation to;higher-energy states and indicates a near-unity quantum efficiency at 4;K.;castelletto, stefania/G-1516-2011; McKenzie, Warren/J-2137-2014;3;0;0;0;3;1098-0121;WOS:000311715000007;;;J;Murthy, Ganpathy;Shankar, R.;Hamiltonian theory of fractionally filled Chern bands;PHYSICAL REVIEW B;86;19;195146;10.1103/PhysRevB.86.195146;NOV 30 2012;2012;There is convincing numerical evidence that fractional quantum-Hall-like;ground states arise in fractionally filled Chern bands. Here, we show;that the Hamiltonian theory of composite fermions (CF) can be as useful;in describing these states as it was in describing the fractional;quantum Hall effect (FQHE) in the continuum. We are able to introduce;CFs into the fractionally filled Chern-band problem in two stages.;First, we construct an algebraically exact mapping which expresses the;electron density projected to the Chern band rho(FCB) as a sum of;Girvin-MacDonald-Platzman density operators rho(GMP) that obey the;magnetic translation algebra. Next, following our Hamiltonian treatment;of the FQH problem, we rewrite the operators rho(GMP) in terms of CF;variables which reproduce the same algebra. This naturally produces a;unique Hartree-Fock ground state for the CFs, which can be used as a;springboard for computing gaps, response functions,;temperature-dependent phenomena, and the influence of disorder. We give;two concrete examples, one of which has no analog in the continuum FQHE;with nu = 1/5 and sigma(xy) = 2/5. Our approach can be easily extended;to fractionally filled, strongly interacting two-dimensional;time-reversal-invariant topological insulators.;15;0;0;0;15;1098-0121;WOS:000311715000005;;;J;Ovsyannikov, Sergey V.;Morozova, Natalia V.;Karkin, Alexander E.;Shchennikov, Vladimir V.;High-pressure cycling of hematite alpha-Fe2O3: Nanostructuring, in situ;electronic transport, and possible charge disproportionation;PHYSICAL REVIEW B;86;20;205131;10.1103/PhysRevB.86.205131;NOV 30 2012;2012;We studied electronic transport properties of hematite (alpha-Fe2O3) at;room temperature under cycling of high pressure up to similar to 22 GPa.;The original samples and those recovered after high-pressure experiments;were examined by x-ray diffraction and Raman and optical absorption;spectroscopy. At ambient pressure the original samples were also;characterized by temperature measurements of electrical and;galvanomagnetic properties. Upon compression, the original single;crystals underwent a sluggish structural deconfinement starting above 5;GPa into a nanometric state. Above 5-7 GPa, the nanostructured hematite;showed a reversible transition to a state with enhanced electrical;conductivity and moderate values of thermoelectric power (Seebeck;effect) of about -150 mu V/K. This electronic phase corresponds to;neither conventional trivalent oxidation state of the iron ions in;hematite nor metallic conductivity. Analysis of the electronic transport;data in the frameworks of two models, of polaron hopping, and of;intrinsic semiconductor conductivity, revealed a change from the;electron conductivity to two-band electrical conductivity and suggested;that the observed enhancement of the electrical properties in;nanocrystalline alpha-Fe2O3 above 5-7 GPa is related to the;mixed-valence state of the iron ions. Since alpha-Fe2O3 is believed to;undergo a "spin-flop" (Morin) transition near 2-5 GPa at room;temperature, we discuss potential contributions of magnetoelastic and;other effects to the observed high-pressure properties of hematite.;Ovsyannikov, Sergey/J-7802-2012; Morozova, Natalia/J-3568-2013; Karkin, Alexander/J-6712-2013; Shchennikov, Vladimir/J-8533-2013;Morozova, Natalia/0000-0002-2377-1372; Karkin,;Alexander/0000-0003-0464-4762; Shchennikov, Vladimir/0000-0003-2887-1652;4;0;0;0;4;1098-0121;WOS:000311715100005;;;J;Pielawa, Susanne;Berg, Erez;Sachdev, Subir;Frustrated quantum Ising spins simulated by spinless bosons in a tilted;lattice: From a quantum liquid to antiferromagnetic order;PHYSICAL REVIEW B;86;18;184435;10.1103/PhysRevB.86.184435;NOV 30 2012;2012;We study spinless bosons in a decorated square lattice with a;near-diagonal tilt. The resonant subspace of the tilted Mott insulator;is described by an effective Hamiltonian of frustrated quantum Ising;spins on a nonbipartite lattice. This generalizes an earlier proposal;for the unfrustrated quantum Ising model in one dimension which was;realized in a recent experiment on ultracold Rb-87 atoms in an optical;lattice. Very close to diagonal tilt, we find a quantum liquid state;which is continuously connected to the paramagnet. Frustration can be;reduced by increasing the tilt angle away from the diagonal, and the;system undergoes a transition to an antiferromagnetically ordered state.;Using quantum Monte Carlo simulations and exact diagonalization, we find;that for realistic system sizes the antiferromagnetic order appears to;be quasi-one-dimensional, however, in the thermodynamic limit the order;is two-dimensional.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;1;0;0;0;1;1098-0121;WOS:000311714700004;;;J;Popov, V. V.;Polischuk, O. V.;Davoyan, A. R.;Ryzhii, V.;Otsuji, T.;Shur, M. S.;Plasmonic terahertz lasing in an array of graphene nanocavities;PHYSICAL REVIEW B;86;19;195437;10.1103/PhysRevB.86.195437;NOV 30 2012;2012;We propose a novel concept of terahertz lasing based on stimulated;generation of plasmons in a planar array of graphene resonant;micro/nanocavities strongly coupled to terahertz radiation. Due to the;strong plasmon confinement and superradiant nature of terahertz emission;by the array of plasmonic nanocavities, the amplification of terahertz;waves is enhanced by many orders of magnitude at the plasmon resonance;frequencies. We show that the lasing regime is ensured by the balance;between the plasmon gain and plasmon radiative damping.;Davoyan, Artur/K-8567-2013;Davoyan, Artur/0000-0002-4662-1158;15;0;0;0;15;1098-0121;WOS:000311715000011;;;J;Romanov, Sergei G.;Vogel, Nicolas;Bley, Karina;Landfester, Katharina;Weiss, Clemens K.;Orlov, Sergej;Korovin, Alexander V.;Chuiko, Gennady P.;Regensburger, Alois;Romanova, Alexandra S.;Kriesch, Arian;Peschel, Ulf;Probing guided modes in a monolayer colloidal crystal on a flat metal;film;PHYSICAL REVIEW B;86;19;195145;10.1103/PhysRevB.86.195145;NOV 30 2012;2012;Two-dimensional slab hybrid metal-dielectric photonic crystals, which;are prepared by assembling polymer colloidal spheres into closely packed;monolayers of hexagonal symmetry on a gold-coated glass substrate, show;an improved confinement of light compared with a colloidal monolayer on;a glass substrate. We demonstrated that the optical response of such;hybrid crystals consists of diffractively coupled waveguiding modes,;Fabry-Perot resonances, and Mie resonances. Correspondingly, two major;mechanisms, namely, band transport and hopping of localized excitations,;participate in the in-plane light transport in such hybrid crystals.;Weiss, Clemens/C-9932-2009; Peschel, Ulf/C-3356-2013; Romanov, Sergei/H-6868-2013; Kriesch, Arian/A-7337-2011;Weiss, Clemens/0000-0001-8559-0385; Romanov, Sergei/0000-0003-0546-9505;;Kriesch, Arian/0000-0002-8347-0344;6;1;0;0;6;1098-0121;WOS:000311715000004;;;J;Schoop, Leslie;Muechler, Lukas;Schmitt, Jennifer;Ksenofontov, Vadim;Medvedev, Sergey;Nuss, Juergen;Casper, Frederick;Jansen, Martin;Cava, R. J.;Felser, Claudia;Effect of pressure on superconductivity in NaAlSi;PHYSICAL REVIEW B;86;17;174522;10.1103/PhysRevB.86.174522;NOV 30 2012;2012;The ternary superconductor NaAlSi, isostructural with LiFeAs, the "111";iron pnictide superconductor, is investigated under pressure. The;structure remains stable up to 15 GPa. Resistivity and susceptibility;measurements show an increase of T-c up to 2 GPa, followed by a decrease;until superconductivity disappears at 4.8 GPa. Band structure;calculations show that pressure should have a negligible effect on the;electronic structure and the Fermi surface and thus the disappearance of;superconductivity under pressure must have a different origin. We;compare the electronic structure of NaAlSi under pressure with that of;nonsuperconducting isostructural NaAlGe.;Felser, Claudia/A-5779-2009; Casper, Frederick/A-5782-2009; Nuss, Juergen/G-2711-2010; Muchler, Lukas/A-4628-2013; Schoop, Leslie/A-4627-2013;Nuss, Juergen/0000-0002-0679-0184; Schoop, Leslie/0000-0003-3459-4241;1;0;0;0;1;1098-0121;WOS:000311714600006;;;J;Schwier, E. F.;Scherwitzl, R.;Vydrova, Z.;Garcia-Fernandez, M.;Gibert, M.;Zubko, P.;Garnier, M. G.;Triscone, J. -M.;Aebi, P.;Unusual temperature dependence of the spectral weight near the Fermi;level of NdNiO3 thin films;PHYSICAL REVIEW B;86;19;195147;10.1103/PhysRevB.86.195147;NOV 30 2012;2012;We investigate the behavior of the spectral weight near the Fermi level;of NdNiO3 thin films as a function of temperature across the;metal-to-insulator transition (MIT) by means of ultraviolet;photoelectron spectroscopy. The spectral weight was found to exhibit;thermal hysteresis, similar to that of the dc conductivity. A detailed;analysis of the temperature dependence reveals two distinct regimes of;spectral loss close to the Fermi level. The temperature evolution of one;regime is found to be independent of the MIT.;Garcia-Fernandez, Mirian/B-6018-2013; Zubko, Pavlo/B-5496-2009;Zubko, Pavlo/0000-0002-7330-3163;2;0;0;0;2;1098-0121;WOS:000311715000006;;;J;Sen, Arnab;Damle, Kedar;Moessner, R.;Vacancy-induced spin textures and their interactions in a classical spin;liquid;PHYSICAL REVIEW B;86;20;205134;10.1103/PhysRevB.86.205134;NOV 30 2012;2012;Motivated by experiments on the archetypal frustrated magnet;SrCr9pGa12-9pO19 (SCGO), we study the classical Heisenberg model on the;pyrochlore slab (kagome bilayer) lattice with site dilution x = 1 - p.;This allows us to address generic aspects of the physics of nonmagnetic;vacancies in a classical spin liquid. We explicitly demonstrate that the;pure (x = 0) system remains a spin liquid down to the lowest;temperatures, with an unusual nonmonotonic temperature dependence of the;susceptibility, which even turns diamagnetic for the apical spins;between the two kagome layers. For x > 0 but small, the low-temperature;magnetic response of the system is most naturally described in terms of;the properties of spatially extended spin textures that cloak an;"orphan" S = 3/2 Cr3+ spin in direct proximity to a pair of missing;sites belonging to the same triangular simplex. In the T -> 0 limit,;these orphan-texture complexes each carry a net magnetization that is;exactly half the magnetic moment of an individual spin of the undiluted;system. Furthermore, we demonstrate that they interact via an entropic;temperature-dependent pairwise exchange interaction J(eff) (T,(r) over;right arrow) similar to T J ((r) over right arrow root T) that has a;logarithmic form at short distances and decays exponentially beyond a;thermal correlation length xi(T) similar to 1/root T. The sign of J(eff);depends on whether the two orphan spins belong to the same kagome layer;or not. We provide a detailed analytical account of these properties;using an effective field theory approach specifically tailored for the;problem at hand. These results are in quantitative agreement with;large-scale Monte Carlo numerics.;3;1;0;0;3;1098-0121;WOS:000311715100008;;;J;Solanki, Ravindra Singh;Mishra, S. K.;Senyshyn, Anatoliy;Ishii, I.;Moriyoshi, Chikako;Suzuki, Takashi;Kuroiwa, Yoshihiro;Pandey, Dhananjai;Antiferrodistortive phase transition in pseudorhombohedral;(Pb0.94Sr0.06)( Zr0.550Ti0.450)O-3: A combined synchrotron x-ray and;neutron powder diffraction study;PHYSICAL REVIEW B;86;17;174117;10.1103/PhysRevB.86.174117;NOV 30 2012;2012;The controversies about the structure of the true ground state of;pseudorhombohedral compositions of Pb(ZrxTi1-x)O-3 (PZT) are addressed;using a 6% Sr2+ substituted sample with x = 0.550. Sound velocity;measurements reveal a phase transition at T-c similar to 279 K. The;temperature dependence of full width at half maximum of (h00)(pc) peaks;and the unit cell volume also show anomalies around 279 K even though;there is no indication of any change of space group in the synchrotron;x-ray powder diffraction (SXRD) patterns. The neutron powder diffraction;patterns reveal appearance of superlattice peaks below T-c similar to;279 K, confirming the existence of an antiferrodistortive phase;transition. The Rietveld analysis of the room-temperature and;low-temperature SXRD data below T-c shows that the structure corresponds;to single monoclinic phase in the Cm space group while the analysis of;neutron powder diffraction data reveals that the structure of the;ground-state phase below T-c corresponds to the Cc space group. Our;analysis shows that the structural models for the ground-state phase;based on the R3c space group with or without the coexistence of the;room-temperature monoclinic phase in the Cm space group can be rejected.;SOLANKI, RAVINDRA /H-7221-2013; Senyshyn, Anatoliy/C-8267-2014;Senyshyn, Anatoliy/0000-0002-1473-8992;3;0;0;0;3;1098-0121;WOS:000311714600001;;;J;Steinke, N. -J.;Moore, T. A.;Mansell, R.;Bland, J. A. C.;Barnes, C. H. W.;Nonuniversal dynamic magnetization reversal in the Barkhausen-dominated;and mesofrequency regimes;PHYSICAL REVIEW B;86;18;184434;10.1103/PhysRevB.86.184434;NOV 30 2012;2012;Dynamic magnetization reversal in the mesofrequency range is studied by;ac magneto-optical Kerr effect (ac-MOKE) and ac anisotropic;magnetoresistance (ac-AMR) magnetometry in a series of epitaxial and;polycrystalline thin magnetic films. The dynamic coercive field was;found to scale as a power law with scaling exponents <= 1/2 depending on;the ferromagnetic material. In addition, there is a low sweep rate;regime in which the dynamic coercivity reaches a minimum. These findings;are explained in the context of reversal proceeding by motion of a few;domain walls (similar to 1). At dc and low field sweep rates the;reversal proceeds between local pinning sites via Barkhausen avalanches;and the overall reversal speed is strongly dependent on the field sweep;rate. At higher field sweep rates a continuous motion regime is entered;in which the reversal velocity depends linearly on the applied field;sweep rate and only an average pinning force is experienced by the wall.;The fit of the dynamic coercivity vs applied field sweep rate allows the;determination of the average nonlocal pinning field. The nonuniversal;scaling exponent can be explained using recently developed models and;introducing a field rate-dependent number of active domain walls.;Mansell, Rhodri/A-1450-2013;2;0;0;0;2;1098-0121;WOS:000311714700003;;;J;Stoffel, M.;Fagot-Revurat, Y.;Tejeda, A.;Kierren, B.;Nicolaou, A.;Le Fevre, P.;Bertran, F.;Taleb-Ibrahimi, A.;Malterre, D.;Electron-phonon coupling on strained Ge/Si(111)-(5x5) surfaces;PHYSICAL REVIEW B;86;19;195438;10.1103/PhysRevB.86.195438;NOV 30 2012;2012;We investigate the structural and electronic properties of strained;Ge/Si(111)-(5 x 5) surfaces by means of scanning tunneling microscopy;and high-resolution angle-resolved photoemission spectroscopy. The;homogeneous (5 x 5) reconstructed overlayers are characterized by three;electronic surface states, similar to the Si(111)-(7 x 7) surface. The;dispersion of the dangling bond related surface state exhibits the same;periodicity as that of the (5 x 5) reconstruction. Moreover, a careful;analysis of the shape and width of this surface state provides striking;evidence of electron-phonon coupling at low temperatures. By considering;the spectral function within a simple Debye model, we determine both the;Debye energy and the electron-phonon coupling strength. The latter value;is further confirmed by analyzing the temperature-dependent phonon;broadening of the dangling bond related surface state linewidth.;BERTRAN, Francois/B-7515-2008; Tejeda, Antonio/C-4711-2014;BERTRAN, Francois/0000-0002-2416-0514; Tejeda,;Antonio/0000-0003-0125-4603;1;0;0;0;1;1098-0121;WOS:000311715000012;;;J;Turek, I.;Kudrnovsky, J.;Carva, K.;Magnetic anisotropy energy of disordered tetragonal Fe-Co systems from;ab initio alloy theory;PHYSICAL REVIEW B;86;17;174430;10.1103/PhysRevB.86.174430;NOV 30 2012;2012;We present results of systematic fully relativistic first-principles;calculations of the uniaxial magnetic anisotropy energy (MAE) of a;disordered and partially ordered tetragonal Fe-Co alloy using the;coherent potential approximation (CPA). This alloy has recently become a;promising system for thin ferromagnetic films with a perpendicular;magnetic anisotropy. We find that existing theoretical approaches to;homogeneous random bulk Fe-Co alloys, based on a simple virtual crystal;approximation (VCA), overestimate the maximum MAE values obtained in the;CPA by a factor of 4. This pronounced difference is ascribed to the;strong disorder in the minority spin channel of real alloys, which is;neglected in the VCA and which leads to a broadening of the d-like;eigenstates at the Fermi energy and to the reduction of the MAE. The;ordered Fe-Co alloys with a maximum L1(0)-like atomic long-range order;can exhibit high values of the MAE, which, however, get dramatically;reduced by small perturbations of the perfect order.;Carva, Karel/A-3703-2008; Turek, Ilja/G-5553-2014; KUDRNOVSKY, Josef/G-5581-2014;KUDRNOVSKY, Josef/0000-0002-9968-6748;10;0;0;0;10;1098-0121;WOS:000311714600004;;;J;Uppstu, Andreas;Harju, Ari;High-field magnetoresistance revealing scattering mechanisms in graphene;PHYSICAL REVIEW B;86;20;201409;10.1103/PhysRevB.86.201409;NOV 30 2012;2012;We show that the type of charge carrier scattering significantly affects;the high-field magnetoresistance of graphene nanoribbons. This effect;has the potential to be used in identifying the scattering mechanisms in;graphene. The results also provide an explanation for the experimentally;found, intriguing differences in the behavior of the magnetoresistance;of graphene Hall bars placed on different substrates. Additionally, our;simulations indicate that the peaks in the longitudinal resistance tend;to become pinned to fractionally quantized values, as different;transport modes have very different scattering properties.;Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;1;0;0;0;1;1098-0121;WOS:000311715100004;;;J;White, Alexander J.;Sukharev, Maxim;Galperin, Michael;Molecular nanoplasmonics: Self-consistent electrodynamics in;current-carrying junctions;PHYSICAL REVIEW B;86;20;205324;10.1103/PhysRevB.86.205324;NOV 30 2012;2012;We consider a biased molecular junction subjected to an external;time-dependent electromagnetic field. We discuss local field formation;due to both surface plasmon-polariton excitations in the contacts and;the molecular response. Employing realistic parameters we demonstrate;that such self-consistent treatment is crucial for the proper;description of the junction transport characteristics.;White, Alexander/D-8754-2014;White, Alexander/0000-0002-7771-3899;3;0;0;0;3;1098-0121;WOS:000311715100010;;;J;Wierschem, Keola;Kato, Yasuyuki;Nishida, Yusuke;Batista, Cristian D.;Sengupta, Pinaki;Magnetic and nematic orderings in spin-1 antiferromagnets with;single-ion anisotropy;PHYSICAL REVIEW B;86;20;201108;10.1103/PhysRevB.86.201108;NOV 30 2012;2012;We study a spin-1 Heisenberg model with exchange interaction J, uniaxial;single-ion exchange anisotropy D, and Zeeman coupling to a magnetic;field B parallel to the symmetry axis. We compute the (D/J, B/J) quantum;phase diagram for square and simple cubic lattices by combining;analytical and quantum Monte Carlo approaches, and find a transition;between XY antiferromagnetic and ferronematic phases that spontaneously;break the U(1) symmetry of the model. In the language of bosonic gases,;this is a transition between a Bose-Einstein condensate (BEC) of single;bosons and a BEC of pairs. Our work opens up new avenues for measuring;this transition in real magnets.;8;0;0;0;8;1098-0121;WOS:000311715100001;;;J;Wu, Chien-Te;Valls, Oriol T.;Halterman, Klaus;Proximity effects in conical-ferromagnet/superconductor bilayers;PHYSICAL REVIEW B;86;18;184517;10.1103/PhysRevB.86.184517;NOV 30 2012;2012;We present a study of various aspects of proximity effects in F/S;(ferromagnet/superconductor) bilayers, where F has a spiral magnetic;texture such as that found in holmium, erbium, and other materials, and;S is a conventional s-wave superconductor. We numerically solve the;Bogoliubov-de Gennes (BdG) equations self-consistently and use the;solutions to compute physical quantities relevant to the proximity;effects in these bilayers. We obtain the relation between the;superconducting transition temperature T-c and the thicknesses d(F) of;the magnetic layer by solving the linearized BdG equations. We find that;the T-c (d(F)) curves include multiple oscillations. Moreover, the;system may be reentrant not only with d(F), as is the case when the;magnet is uniform, but also with temperature T : the superconductivity;disappears in certain ranges of d(F) or T. The T reentrance reported;here occurs when d(F) is larger than the spatial period of the conical;exchange field. We compute the condensation free energies and entropies;from the full BdG equations and find the results are in agreement with;T-c values obtained by linearization. The inhomogeneous nature of the;magnet makes it possible for all odd triplet pairing components to be;induced. We have investigated their properties and found that, as;compared to the singlet amplitude, both the m = 0 and +/- 1 triplet;components exhibit long-range penetration. For nanoscale bilayers, the;proximity lengths for both layers are also obtained. These lengths;oscillate with d(F) and they are found to be long range on both sides.;These results are shown to be consistent with recent experiments. We;also calculate the reverse proximity effect described by the;three-dimensional local magnetization, and the local density of states,;which reveals important energy-resolved signatures associated with the;proximity effects.;6;0;0;0;6;1098-0121;WOS:000311714700005;;;J;Altarelli, M.;Kurta, R. P.;Vartanyants, I. A.;X-ray cross-correlation analysis and local symmetries of disordered;systems: General theory (vol 82, 104207, 2010);PHYSICAL REVIEW B;86;17;179904;10.1103/PhysRevB.86.179904;NOV 29 2012;2012;1;0;0;0;1;1098-0121;WOS:000311693600006;;;J;Beheshtian, J.;Sadeghi, A.;Neek-Amal, M.;Michel, K. H.;Peeters, F. M.;Induced polarization and electronic properties of carbon-doped boron;nitride nanoribbons;PHYSICAL REVIEW B;86;19;195433;10.1103/PhysRevB.86.195433;NOV 29 2012;2012;The electronic properties of boron nitride nanoribbons (BNNRs) doped;with a line of carbon atoms are investigated using density functional;calculations. By replacing a line of alternating B and N atoms with;carbons, three different configurations are possible depending on the;type of the atoms which bond to the carbons. We found very different;electronic properties for these configurations: (i) the NCB arrangement;is strongly polarized with a large dipole moment having an unexpected;direction, (ii) the BCB and NCN arrangements are nonpolar with zero;dipole moment, (iii) the doping by a carbon line reduces the band gap;regardless of the local arrangement of the borons and the nitrogens;around the carbon line, and (iv) the polarization and energy gap of the;carbon-doped BNNRs can be tuned by an electric field applied parallel to;the carbon line. Similar effects were found when either an armchair or;zigzag line of carbon was introduced.;Sadeghi, Ali/D-1554-2013;8;0;0;0;8;1098-0121;WOS:000311694200006;;;J;Chi, Hang;Kim, Hyoungchul;Thomas, John C.;Su, Xianli;Stackhouse, Stephen;Kaviany, Massoud;Van der Ven, Anton;Tang, Xinfeng;Uher, Ctirad;Configuring pnicogen rings in skutterudites for low phonon conductivity;PHYSICAL REVIEW B;86;19;195209;10.1103/PhysRevB.86.195209;NOV 29 2012;2012;Dominant heat-carrying modes in skutterudites are associated with;vibrations of the pnicogen rings. Apart from filling the structural;cages with foreign species, disrupting the pnicogen ring structure by;substitutional alloying should be an effective approach to reduce;thermal conductivity. In this paper we explore alloying configurations;of pnicogen rings (Sb rings in the case of CoSb3) that yield;particularly low values of the thermal conductivity. We find that IV-VI;double substitution (replacing two Sb atoms with one atom each from the;column IV and column VI elements to achieve an average charge of two Sb;atoms) is a very effective approach. Our ab initio calculations, in;combination with a cluster expansion, have allowed us to identify stable;alloy configurations on the Sb rings. Subsequent molecular and lattice;dynamics simulations on low energy configurations establish the range of;atomic displacement parameters and values of the thermal conductivity.;Theoretical results are in good agreement with our experimental thermal;conductivity values. Combining both approaches of compensated double;substitution and filling of structural cages should be an effective way;of improving the thermoelectric figure of merit of skutterudites.;Su, Xianli/A-9685-2012; Chi, Hang/F-1537-2011; Thomas, John/A-2764-2009; Kim, Hyoungchul/F-2557-2014;Chi, Hang/0000-0002-1299-1150; Thomas, John/0000-0002-3162-0152; Kim,;Hyoungchul/0000-0003-3109-660X;8;0;0;0;8;1098-0121;WOS:000311694200003;;;J;Fortmann, C.;Niemann, C.;Glenzer, S. H.;Theory of x-ray scattering in high-pressure electrides;PHYSICAL REVIEW B;86;17;174116;10.1103/PhysRevB.86.174116;NOV 29 2012;2012;We report on a theoretical model for the calculation of x-ray scattering;from high-pressure electrides. By treating interstitial electrons as;effective anions forming a sublattice within the crystal, we explicitly;account for Bragg reflections from the sublattice as well as for;scattering interferences between the ion lattice and the anion;sublattice. The additional reflections and interferences lead to;significant modifications of the static structure factor as compared to;the pure lattices. Our results are important for accurate calculations;of material properties in the high-pressure phase and allow for direct;experimental verification of electride phases in matter at ultrahigh;pressures through angle-resolved x-ray scattering.;2;0;0;0;2;1098-0121;WOS:000311693600001;;;J;Guclu, Caner;Campione, Salvatore;Capolino, Filippo;Hyperbolic metamaterial as super absorber for scattered fields generated;at its surface;PHYSICAL REVIEW B;86;20;205130;10.1103/PhysRevB.86.205130;NOV 29 2012;2012;We show that hyperbolic metamaterials (HMs) that exhibit hyperbolic;wave-vector dispersion diagrams possess two important features related;to super absorption: The total power scattered by a nanosphere is (i);greatly enhanced when placed at the HM surface, compared to other;material surfaces, and (ii) almost totally directed into the HM. We show;that these two features are peculiar of HM interfaces, and we support;them using a spectral theory study of transverse-electric and magnetic;waves scattered by a subwavelength nanosphere. We analyze the;nanosphere's scattered power absorbed by various substrate;configurations. We also consider various nanosphere materials.;22;0;0;0;22;1098-0121;WOS:000311694300002;;;J;Hebbache, M.;Entanglement of electron spins and geometric phases in the diamond color;center coupled to the P1 center;PHYSICAL REVIEW B;86;19;195316;10.1103/PhysRevB.86.195316;NOV 29 2012;2012;Impurity spins in semiconductors are potential quantum bits.;Entanglement and topological phases are key resources in quantum;computation. We prove that the coupled electron spins carried by a;diamond nitrogen-vacancy color center (NV-) and a single substitutional;nitrogen impurity (P1 center) are entangled in the immediate vicinity of;the level anticrossing that appears in the Zeeman energy diagram at;about 500 G. We also determine the Aharonov-Anandan, Berry, and marginal;geometric phases that can be accumulated by the state vectors of this;spin system when it is magnetically transported around a closed path. At;the resonance where the gap between two energy levels is minimum, the;geometric phases undergo discontinuities, and the entanglement of the;two electron spins is maximal.;2;0;0;0;2;1098-0121;WOS:000311694200004;;;J;Kerdsongpanya, Sit;Alling, Bjorn;Eklund, Per;Effect of point defects on the electronic density of states of ScN;studied by first-principles calculations and implications for;thermoelectric properties;PHYSICAL REVIEW B;86;19;195140;10.1103/PhysRevB.86.195140;NOV 29 2012;2012;We have investigated the effect of defects and impurities on the;electronic density of states of scandium nitride using first-principles;calculations with the generalized gradient approximation and hybrid;functionals for the exchange correlation energy. Our results show that;Sc and N vacancies can introduce asymmetric peaks in the density of;states close to the Fermi level. We also find that the N vacancy states;are sensitive to total electron concentration of the system due to their;possibility for spin polarization. Substitutional point defects shift;the Fermi level in the electronic band according to their valence but do;not introduce sharp features. The energetics and electronic structure of;defect pairs are also studied. By using hybrid functional calculations,;a correct description of the band gap of scandium nitride is obtained.;Our results envisage ways for improving the thermoelectric figure of;merit of ScN by electronic structure engineering through stoichiometry;tuning and doping.;Eklund, Per/B-7677-2011; Alling, Bjorn/I-3193-2012;Eklund, Per/0000-0003-1785-0864; Alling, Bjorn/0000-0001-5863-5605;8;0;0;0;8;1098-0121;WOS:000311694200001;;;J;Kim, Jiseok;Fischetti, Massimo V.;Aboud, Shela;Structural, electronic, and transport properties of silicane nanoribbons;PHYSICAL REVIEW B;86;20;205323;10.1103/PhysRevB.86.205323;NOV 29 2012;2012;Silicane ribbons do not suffer from aromatic dependence of the band gap;making them a more promising candidate for near-term nanoelectronic;application compared to armchair graphene nanoribbons. The structural,;electronic, and transport properties of free-standing sp(3)-hybridized;armchair- and zigzag-edge silicane nanoribbons have been investigated;using ab initio and nonlocal empirical pseudopotential calculations.;Under ambient conditions, two-dimensional silicane sheets will;spontaneously break into stable one-dimensional ribbons similar to;density functional theory studies of graphene ribbons. The calculated;low-field electron mobility and ballistic conductance show a strong edge;dependence, due to differences in the effective mass and momentum;relaxation rates along the two transport directions. The mobility in;zigzag-edge ribbons is found to be approximately twenty times higher;than in armchair-edge ribbons.;7;0;0;0;7;1098-0121;WOS:000311694300004;;;J;Kim, Kyou-Hyun;Payne, David A.;Zuo, Jian-Min;Symmetry of piezoelectric (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (x=0.31);single crystal at different length scales in the morphotropic phase;boundary region;PHYSICAL REVIEW B;86;18;184113;10.1103/PhysRevB.86.184113;NOV 29 2012;2012;We use probes of three different length scales to examine symmetry of (1;- x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) single crystals in the;morphotropic phase boundary (MPB) region at composition x = 0.31;(PMN-31% PT). On the macroscopic scale, x-ray diffraction (XRD) shows a;mixture of strong and weak diffraction peaks of different widths. The;closest match to XRD peak data is made with monoclinic Pm (M-C);symmetry. On the local scale of a few nanometers, convergent beam;electron diffraction (CBED) studies, with a 1.6-nm electron probe,;reveal no obvious symmetry. These CBED experimental patterns can be;approximately matched with simulations based on monoclinic symmetry,;which suggests locally distorted monoclinic structure. A monoclinic Cm;(M-A or M-B)-like symmetry could also be obtained from certain regions;of the crystal by using a larger electron probe size of several tens of;nanometers in diameter. Thus the monoclinic symmetry of single crystal;PMN-31% PT is developed only in parts of the crystal by averaging over;locally distorted structure on the scale of few tens of nanometers. The;macroscopic symmetry observed by XRD is a result of averaging from the;local structure in PMN-31% PT single crystal. The lack of local symmetry;at a few nanometers scale suggests that the polarization switching;results from a change in local displacements, which are not restricted;to specific symmetry planes or directions.;2;0;0;0;2;1098-0121;WOS:000311693900002;;;J;Kossacki, P.;Faugeras, C.;Kuehne, M.;Orlita, M.;Mahmood, A.;Dujardin, E.;Nair, R. R.;Geim, A. K.;Potemski, M.;Circular dichroism of magnetophonon resonance in doped graphene;PHYSICAL REVIEW B;86;20;205431;10.1103/PhysRevB.86.205431;NOV 29 2012;2012;The polarization-resolved Raman-scattering response due to E-2g phonons;in monolayer graphene has been investigated in magnetic fields up to 29;T. The hybridization of the E-2g phonon is only observed with the;fundamental inter-Landau-level excitation (involving the n = 0 Landau;level) and in just one of the two configurations of the circularly;cross-polarized excitation and scattered light. This polarization;anisotropy of the magnetophonon resonance is shown to be inherent to;relatively strongly doped graphene samples with carrier concentrations;typical for graphene deposited on Si/SiO2 substrates.;Dujardin, Erik/A-2748-2010; Raveendran Nair, Rahul/G-5839-2010; Orlita, Milan/H-1130-2014;Dujardin, Erik/0000-0001-7242-9250;;3;0;0;0;3;1098-0121;WOS:000311694300005;;;J;Kostylev, M.;Stashkevich, A. A.;Roussigne, Y.;Grigoryeva, N. A.;Mistonov, A. A.;Menzel, D.;Sapoletova, N. A.;Napolskii, K. S.;Eliseev, A. A.;Lukashin, A. V.;Grigoriev, S. V.;Samarin, S. N.;Microwave properties of Ni-based ferromagnetic inverse opals;PHYSICAL REVIEW B;86;18;184431;10.1103/PhysRevB.86.184431;NOV 29 2012;2012;Investigations of microwave properties of Ni-based inverse ferromagnetic;opal-like film with the [111] axis of the fcc structure along the normal;direction to the film have been carried out in the 2-18 GHz frequency;band. We observed multiple spin wave resonances for the magnetic field;applied perpendicular to the film, i.e., along the [111] axis of this;artificial crystal. For the field applied in the film plane, a broad;band of microwave absorption is observed, which does not contain a fine;structure. The field ranges of the responses observed are quite;different for these two magnetization directions. This suggests a;collective magnetic ground state or shape anisotropy and collective;microwave dynamics for this foam-like material. This result is in;agreement with SQUID measurements of hysteresis loops for the material.;Two different models for this collective behavior are suggested that;satisfactorily explain the major experimental results.;Lukashin, Alexey/F-6746-2013; Mistonov, Alexander/H-2098-2013; Grigoryeva, Natalia/K-2253-2013; Kostylev, Mikhail/H-5214-2014;Mistonov, Alexander/0000-0003-0138-3579; Grigoryeva,;Natalia/0000-0002-9910-6192;;1;0;0;0;1;1098-0121;WOS:000311693900004;;;J;Kvashnin, Y. O.;Khmelevskyi, S.;Kudrnovsky, J.;Yaresko, A. N.;Genovese, L.;Bruno, P.;Noncollinear magnetic ordering in compressed FePd3 ordered alloy: A;first principles study;PHYSICAL REVIEW B;86;17;174429;10.1103/PhysRevB.86.174429;NOV 29 2012;2012;By means of ab initio calculations based on the density functional;theory we investigated the magnetic phase diagram of ordered FePd3 alloy;as a function of external pressure. Considering several magnetic;configurations we concluded that the system under pressure has a;tendency toward noncollinear spin alignment. Analysis of the Heisenberg;exchange parameters J(ij) revealed strong dependence of iron-iron;magnetic couplings on polarization of Pd atoms. To take into account;that effect we built an extended Heisenberg model with higher order;(biquadratic) terms. Minimizing the energy of this Hamiltonian, fully;parametrized using the results of ab initio calculations, we found a;candidate for a ground state of compressed FePd3, which can be seen as;two interpenetrating "triple-Q" phases.;Genovese, Luigi/C-5937-2011; Bruno, Patrick/C-9159-2009; KUDRNOVSKY, Josef/G-5581-2014;Genovese, Luigi/0000-0003-1747-0247; Bruno, Patrick/0000-0002-2574-1943;;KUDRNOVSKY, Josef/0000-0002-9968-6748;1;0;0;0;1;1098-0121;WOS:000311693600004;;;J;Li, Wu;Lindsay, L.;Broido, D. A.;Stewart, Derek A.;Mingo, Natalio;Thermal conductivity of bulk and nanowire Mg2SixSn1-x alloys from first;principles;PHYSICAL REVIEW B;86;17;174307;10.1103/PhysRevB.86.174307;NOV 29 2012;2012;The lattice thermal conductivity (kappa) of the thermoelectric;materials, Mg2Si, Mg2Sn, and their alloys, are calculated for bulk and;nanowires, without adjustable parameters. We find good agreement with;bulk experimental results. For large nanowire diameters, size effects;are stronger for the alloy than for the pure compounds. For example, in;200 nm diameter nanowires kappa is lower than its bulk value by 30%,;20%, and 20% for Mg2Si0.6Sn0.4, Mg2Si, and Mg2Sn, respectively. For;nanowires less than 20 nm thick, the relative decrease surpasses 50%,;and it becomes larger in the pure compounds than in the alloy. At room;temperature, kappa of Mg2SixSn1-x is less sensitive to nanostructuring;size effects than SixGe1-x, but more sensitive than PbTexSe1-x. This;suggests that further improvement of Mg2SixSn1-x as a nontoxic;thermoelectric may be possible.;Lindsay, Lucas/C-9221-2012; Stewart, Derek/B-6115-2008;25;1;0;0;25;1098-0121;WOS:000311693600002;;;J;Niklasson, Anders M. N.;Cawkwell, Marc J.;Fast method for quantum mechanical molecular dynamics;PHYSICAL REVIEW B;86;17;174308;10.1103/PhysRevB.86.174308;NOV 29 2012;2012;As the processing power available for scientific computing grows,;first-principles Born-Oppenheimer molecular dynamics simulations are;becoming increasingly popular for the study of a wide range of problems;in materials science, chemistry, and biology. Nevertheless, the;computational cost of Born-Oppenheimer molecular dynamics still remains;prohibitively large for many potential applications. Here we show how to;avoid a major computational bottleneck: the self-consistent-field;optimization prior to force calculations. The optimization-free quantum;mechanical molecular dynamics method gives trajectories that are almost;indistinguishable from an "exact" microcanonical Born-Oppenheimer;molecular dynamics simulation even when low-prefactor linear scaling;sparse matrix algebra is used. Our findings show that the computational;gap between classical and quantum mechanical molecular dynamics;simulations can be significantly reduced.;4;0;0;0;4;1098-0121;WOS:000311693600003;;;J;Ong, Zhun-Yong;Fischetti, Massimo V.;Theory of interfacial plasmon-phonon scattering in supported graphene;(vol 86, 165422, 2012);PHYSICAL REVIEW B;86;19;199904;10.1103/PhysRevB.86.199904;NOV 29 2012;2012;Ong, Zhun-Yong/B-9486-2013;Ong, Zhun-Yong/0000-0003-2668-6453;6;0;0;0;6;1098-0121;WOS:000311694200007;;;J;Per, Manolo C.;Snook, Ian K.;Russo, Salvy P.;Efficient calculation of unbiased expectation values in diffusion;quantum Monte Carlo;PHYSICAL REVIEW B;86;20;201107;10.1103/PhysRevB.86.201107;NOV 29 2012;2012;Despite the proven utility of quantum Monte Carlo methods in addressing;the quantum many-body problem, many important observables are difficult;to calculate due to the presence of large, and sometimes divergent,;statistical errors. The present state of the art allows the construction;of renormalized estimators which result in finite variances, but which;invariably include some systematic bias. We present a simple method for;calculating unbiased expectation values of local operators in the;diffusion quantum Monte Carlo method which is applicable to both bare;and renormalized estimators, allowing the accurate calculation of;important properties such as forces.;snook, ian/A-3427-2009; Per, Manolo/C-3680-2011;1;0;0;0;1;1098-0121;WOS:000311694300001;;;J;Simonson, J. W.;Smith, G. J.;Post, K.;Pezzoli, M.;Kistner-Morris, J. J.;McNally, D. E.;Hassinger, J. E.;Nelson, C. S.;Kotliar, G.;Basov, D. N.;Aronson, M. C.;Magnetic and structural phase diagram of CaMn2Sb2;PHYSICAL REVIEW B;86;18;184430;10.1103/PhysRevB.86.184430;NOV 29 2012;2012;On the basis of magnetic, transport, and optical measurements performed;on single crystals, we report CaMn2Sb2 to be an antiferromagnetic;insulator that exhibits weak ferromagnetic order above the Neel;temperature. Magnetic susceptibility measurements reveal the magnitude;of the high-temperature Curie-Weiss moment to be only half as large as;the ground-state ordered moment, while electronic-structure calculations;based on crystallographic measurements suggest a crystal-field-induced;spin-state transition does not occur. The antiferromagnetic state is;relatively insensitive to both doping and modest pressures, while the;ferromagnetism can be readily tuned by either. Infrared transmission and;pressure-dependent resistivity measurements suggest proximity to an;electronic delocalization transition. We suggest the ferromagnetic state;may be the signature of magnetic polarons.;1;1;0;0;1;1098-0121;WOS:000311693900003;;;J;Stishov, Sergei M.;Petrova, Alla E.;Sidorov, Vladimir A.;Menzel, Dirk;Self-doping effects in cobalt silicide CoSi: Electrical, magnetic,;elastic, and thermodynamic properties (vol 86, 064433, 2012);PHYSICAL REVIEW B;86;17;179903;10.1103/PhysRevB.86.179903;NOV 29 2012;2012;0;0;0;0;0;1098-0121;WOS:000311693600005;;;J;Thede, M.;Xiao, F.;Baines, Ch.;Landee, C.;Morenzoni, E.;Zheludev, A.;Ordering in weakly coupled random singlet spin chains;PHYSICAL REVIEW B;86;18;180407;10.1103/PhysRevB.86.180407;NOV 29 2012;2012;The influence of bond randomness on long-range magnetic ordering in the;weakly coupled S = 1/2 antiferromagnetic spin chain materials;Cu(py)(2)(Cl1-xBrx)(2) is studied by muon spin rotation and bulk;measurements. Disorder is found to have a strong effect on the ordering;temperature T-N, and an even stronger one on the saturation;magnetization m(0), but considerably more so in the effectively;lower-dimensional Br-rich materials. The observed behavior is attributed;to random singlet ground states of individual spin chains, but remains;in contradiction with chain mean-field theory [Joshi and Yang, Phys.;Rev. B 67, 174403 (2003)] predictions. In this context, we discuss the;possibility of a universal distribution of ordered moments in the weakly;coupled random singlet chains model.;Thede, Matthias/L-2975-2013;4;0;0;0;4;1098-0121;WOS:000311693900001;;;J;Usov, V.;Stoyanov, S.;Coileain, C. O.;Toktarbaiuly, O.;Shvets, I. V.;Antiband instability on vicinal Si(111) under the condition of;diffusion-limited sublimation;PHYSICAL REVIEW B;86;19;195317;10.1103/PhysRevB.86.195317;NOV 29 2012;2012;In this paper, we investigate the antiband instability on vicinal;Si(111) surfaces with different angles of misorientation. It is known;that prolonged direct current-annealing of Si(111) results in the;formation of antibands; i.e., the step bunches with the opposite slope;to the primary bunches. We provide a theoretical description of antiband;formation via the evolution of the atomic steps' shape. We also derive a;criterion for the onset of the antiband instability under the conditions;of sublimation controlled by slow adatom surface diffusion. We examine;this criterion experimentally by studying the initial stage of the;antiband formation at a constant temperature of 1270 degrees C while;systematically varying the applied electromigration field. The;experiment strongly supports the validity of the derived theoretical;criterion and indicates the importance of accounting for the factor of;critical field in the theoretical modeling of step bunching or antiband;instabilities. Deduced from the comparison of theory and experiment, the;Si surface atoms' effective charge cannot exceed double the elementary;charge, set by the lower limit of kinetic characteristic length d(s) =;0.3 nm. Using d(s) = 1.7 - 4.5 nm draws values of the effective charge;in line with the values reported in earlier studies.;Shvets, Igor/J-8710-2013;0;0;0;0;0;1098-0121;WOS:000311694200005;;;J;Weber, Cedric;Mila, Frederic;Anticollinear magnetic order induced by impurities in the frustrated;Heisenberg model of pnictides;PHYSICAL REVIEW B;86;18;184432;10.1103/PhysRevB.86.184432;NOV 29 2012;2012;We present Monte Carlo simulations for a classical antiferromagnetic;Heisenberg model with both nearest (J(1)) and next-nearest (J(2));exchange couplings on the square lattice in the presence of nonmagnetic;impurities. We show that the order-by-disorder entropy selection,;associated with the Ising-like phase transition that appears for;J(2)/J(1) > 1/2 in the pure spin model, is quenched at low temperature;due to the presence of nonmagnetic impurities. Evidence that a new;competing order is stabilized around the impurities and in turn induces;a reentrance phase transition is reported. Implications for local;magnetic measurement of the parent compound of iron pnictides are;briefly discussed.;Weber, Cedric/D-5027-2014;Weber, Cedric/0000-0002-6989-2700;4;0;0;0;4;1098-0121;WOS:000311693900005;;;J;Weston, L.;Cui, X. Y.;Delley, B.;Stampfl, C.;Band offsets and polarization effects in wurtzite ZnO/Mg0.25Zn0.75O;superlattices from first principles;PHYSICAL REVIEW B;86;20;205322;10.1103/PhysRevB.86.205322;NOV 29 2012;2012;Using first-principles calculations, we investigate the band offsets,;built-in electric fields, and band gaps of (0001)-oriented wurtzite;ZnO/Mg0.25Zn0.75O superlattices, including the dependence on;superlattice geometry and strain. Significant built-in electric fields;form inside the quantum-well region that are found to be tunable over;the range 0.24 MV/cm <= E-w <= 0.63 MV/cm, and potentially up to 1MV/cm;by varying the relative width of the well and barrier regions. The;valence band offset at the ZnO/Mg0.25Zn0.75O interface is calculated to;be 0.25-0.26 eV which, in contrast to the "common anion rule," is a;significant portion of the total band offset, and this is in support of;recent experiment. Calculated values for the valence band offset were;found to be insensitive to variations in superlattice geometry and;strain. The band gap of the superlattice is determined by the competing;effects of quantum confinement and the quantum-confined Stark effect,;with the former being more dominant for the systems investigated. These;findings will be useful in the design and optimization of ZnO/MgxZn1-xO;superlattices for electronics and optoelectronics applications.;Delley, Bernard/E-1336-2014;Delley, Bernard/0000-0002-7020-2869;3;0;1;0;4;1098-0121;WOS:000311694300003;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;PHYSICAL REVIEW B;86;19;195141;10.1103/PhysRevB.86.195141;NOV 29 2012;2012;We perform realistic first-principles calculations of iron chalcogenides;and ruthenate-based materials to identify experimental signatures of;Hund's-coupling-induced correlations in these systems. We find that FeTe;and KxFe2-yAs2 display unusual orbital-dependent fractional power-law;behavior in their quasiparticle self-energy and optical conductivity, a;phenomenon first identified in SrRuO3. Strong incoherence in the;paramagnetic state of these materials results in electronic states;hidden to angle-resolved photoemission spectroscopy which reemerge at;low temperatures. We identify the effective low-energy Hamiltonian;describing these systems and show that these anomalies are not;controlled by the proximity to a quantum critical point but result from;coexistence of fast quantum mechanical orbital fluctuations and slow;spin fluctuations.;Yin, Zhiping/G-3949-2012;Yin, Zhiping/0000-0001-8679-5251;10;0;0;0;10;1098-0121;WOS:000311694200002;;;J;Kumar, A.;Fennie, C. J.;Rabe, K. M.;Spin-lattice coupling and phonon dispersion of CdCr2O4 from first;principles;PHYSICAL REVIEW B;86;18;184429;10.1103/PhysRevB.86.184429;NOV 28 2012;2012;First-principles calculations are used to investigate the effects of;magnetic ordering on the minimum-energy structure and on the full phonon;dispersion relation of CdCr2O4, focusing on the changes through the;coupled magnetic/structural transition which shows relief of the;geometric frustration of the antiferromagnetic ordering on the;pyrochlore lattice. We computed the full phonon dispersion relations for;the ferromagnetic and antiferromagnetic orderings in cubic and;tetragonal structures of CdCr2O4. We extracted the phonon dispersion for;the cubic paramagnetic phase and found that it compares wellwith the;experimental results. The AFM ordering is seen to lower the symmetry and;induce a lattice distortion comparable in magnitude to that observed in;the transition. While the spin-phonon couplings are large for modes;which involve displacement of the Cr atoms, there are no unstable modes;at any point in the Brillouin zone for either of the magnetic orderings;considered, and thus we conclude that the phase transition is driven not;by spin-phonon coupling, but by the atomic forces and stresses induced;by the magnetic order. Finally, by comparison of the phonon frequencies;for structures with different magnetic orderings and structural;distortions, we find that the spin-phonon coupling, rather than the;coupling of the phonons to the structural change, is the dominant factor;in the observed changes of phonon frequencies through the phase;transition.;Kumar, Anil/A-9834-2013;Kumar, Anil/0000-0002-4901-8987;1;0;0;0;1;1098-0121;WOS:000311604700002;;;J;Lin, Shi-Zeng;Bulaevskii, Lev N.;Batista, Cristian D.;Vortex dynamics in ferromagnetic superconductors: Vortex clusters,;domain walls, and enhanced viscosity;PHYSICAL REVIEW B;86;18;180506;10.1103/PhysRevB.86.180506;NOV 28 2012;2012;We demonstrate that there is a long-range vortex-vortex attraction in;ferromagnetic superconductors due to polarization of the magnetic;moments. Vortex clusters are then stabilized in the ground state for low;vortex densities. The motion of vortex clusters driven by the Lorentz;force excites magnons. This regime becomes unstable at a threshold;velocity above which domain walls are generated for slow relaxation of;the magnetic moments and the vortex configuration becomes modulated.;This dynamics of vortices and magnetic moments can be probed by;transport measurements.;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;6;0;0;0;6;1098-0121;WOS:000311604700001;;;J;Wong, Chris L. M.;Law, K. T.;Majorana Kramers doublets in dx2-y2-wave superconductors with Rashba;spin-orbit coupling;PHYSICAL REVIEW B;86;18;184516;10.1103/PhysRevB.86.184516;NOV 28 2012;2012;In this work, we show that a quasi-one-dimensional d(x2-y2)-wave;superconductor with Rashba spin-orbit coupling is a DIII class,;time-reversal invariant, topological superconductor (TS), which supports;a Majorana Kramers Doublet (MKD) at each end of the TS. A MKD is a pair;of Majorana end states (MESs) protected by time-reversal symmetry (TRS).;An external magnetic field breaks TRS and drives the system from DIII to;D class in which case a single MES appears at each end of the TS. We;show that a MKD induces resonant Andreev reflection with zero-bias;conductance peak of 4e(2)/h. Experimental realizations of the proposed;model are discussed.;Law, Kam/H-1410-2011;19;1;0;0;19;1098-0121;WOS:000311604700003;;;J;De Luca, M.;Pettinari, G.;Ciatto, G.;Amidani, L.;Filippone, F.;Polimeni, A.;Fonda, E.;Boscherini, F.;Bonapasta, A. Amore;Giubertoni, D.;Knuebel, A.;Lebedev, V.;Capizzi, M.;Identification of four-hydrogen complexes in In-rich InxGa1-xN (x > 0.4);alloys using photoluminescence, x-ray absorption, and density functional;theory;PHYSICAL REVIEW B;86;20;201202;10.1103/PhysRevB.86.201202;NOV 28 2012;2012;Postgrowth hydrogen incorporation in In-rich InxGa1-xN (x > 0.4) alloys;strongly modifies the optical and structural properties of the material:;A large blueshift of the emission and absorption energies is accompanied;by a remarkable broadening of the interatomic-distance distribution, as;probed by synchrotron radiation techniques. Both effects vanish at a;finite In-concentration value (x similar to 0.5). Synergic x-ray;absorption measurements and first-principle calculations unveil two;different defective species forming upon hydrogenation: one due to the;high chemical reactivity of H, the other ascribed to mere lattice;damage. In the former species, four H atoms bind to as many N atoms, all;nearest-neighbors of a same In atom. The stability of this peculiar;complex, which is predicted to behave as a donor, stems from atomic;displacements cooperating to reduce local strain.;Fonda, Emiliano/D-9666-2011; Filippone, Francesco/I-4718-2012; Pettinari, Giorgio/M-8678-2014;Filippone, Francesco/0000-0001-5862-1115; Pettinari,;Giorgio/0000-0003-0187-3770;1;0;0;0;1;1098-0121;WOS:000311605000001;;;J;Grytsyuk, Sergiy;Peskov, Maxim V.;Schwingenschloegl, Udo;First-principles modeling of interfaces between solids with large;lattice mismatch: The prototypical CoO(111)/Ni(111) interface;PHYSICAL REVIEW B;86;17;174115;10.1103/PhysRevB.86.174115;NOV 28 2012;2012;In this work we investigate the CoO(111)/Ni(111) interface by;first-principles calculations, focusing on its structure and stability.;To satisfy the approximate 5:6 ratio of the CoO and Ni lattice;constants, we construct a supercell with 5 x 5 Co (O) and 6 x 6 Ni atoms;per layer in the bulk regions. For the interface Ni layer and the;adjacent Ni layer we consider different configurations and study the;binding energy. We show for an ideal CoO interface terminated by 5 x 5 O;atoms that the structure is more stable if there are 5 x 5 Ni atoms next;to it instead of 6 x 6 as in the bulk. In addition, we observe that a;transition layer with 31 or 33 Ni atoms located between the interface 5;x 5 Ni and bulk 6 x 6 Ni layers (which partially reflects the structures;of both these layers) enhances the stability of the CoO/Ni interface.;The electronic and magnetic modifications induced by the interface;formation are discussed.;3;0;0;0;3;1098-0121;WOS:000311604400001;;;J;Luekermann, D.;Sologub, S.;Pfnuer, H.;Klein, C.;Horn-von Hoegen, M.;Tegenkamp, C.;Scattering at magnetic and nonmagnetic impurities on surfaces with;strong spin-orbit coupling;PHYSICAL REVIEW B;86;19;195432;10.1103/PhysRevB.86.195432;NOV 28 2012;2012;Adsorption-induced reduction of surface-state conductivity in epitaxial;Bi(111) films, a prototype system with large Rashba-induced;surface-state splitting, by adsorbed atoms of Bi, Fe, and Co has been;investigated by macroscopic surface magnetotransport measurements at a;temperature of 10 K. A detailed analysis of magnetotransport, dc;transport, and Hall data reveals that the scattering efficiencies for Co;and Fe are larger by a factor of 2 than that for Bi. While for the;latter charge transfer and change of band filling near the Fermi level;are negligible, we find an increase of hole concentration upon Co and Fe;adsorption. These atoms act as acceptors and immobilize on average about;0.5 electrons per adsorbed atom. Besides the dominant classical;magnetoconductance signal the films show signatures of weak;antilocalization, reflecting the strong spin-orbit coupling in Bi(111);surface states. This behavior can be changed to weak localization by the;adsorption of high concentrations (0.1 monolayers) of magnetic;impurities (Fe, Co), similarly to results found on the topological;insulator Bi2Se3. Our results demonstrate that details of chemical bond;formation for impurities are crucial for local spin moments and;electronic scattering properties.;5;0;0;0;5;1098-0121;WOS:000311604900001;;;J;Molina-Sanchez, A.;Garcia-Cristobal, A.;Bester, G.;Semiempirical pseudopotential approach for nitride-based nanostructures;and ab initio based passivation of free surfaces;PHYSICAL REVIEW B;86;20;205430;10.1103/PhysRevB.86.205430;NOV 28 2012;2012;We present a semiempirical pseudopotential method based on screened;atomic pseudopotentials and derived from ab initio calculations. This;approach is motivated by the demand for pseudopotentials able to address;nanostructures, where ab initio methods are both too costly and;insufficiently accurate at the level of the local density approximation,;while mesoscopic effective-mass approaches are inapplicable due to the;small size of the structures along, at least, one dimension. In this;work, we improve the traditional pseudopotential method by a two-step;process: First, we invert a set of self-consistently determined screened;ab initio potentials in wurtzite GaN for a range of unit-cell volumes,;thus determining spherically symmetric and structurally averaged atomic;potentials. Second, we adjust the potentials to reproduce observed;excitation energies. We find that the adjustment represents a reasonably;small perturbation over the potential, so that the ensuing potential;still reproduces the original wave functions, while the excitation;energies are significantly improved. We furthermore deal with the;passivation of the dangling bonds of free surfaces which is relevant for;the study of nanowires and colloidal nanoparticles. We present a;methodology to derive passivant pseudopotentials from ab initio;calculations. We apply our pseudopotential approach to the exploration;of the confinement effects on the electronic structure of GaN nanowires.;Bester, Gabriel/I-4414-2012;Bester, Gabriel/0000-0003-2304-0817;1;0;0;0;1;1098-0121;WOS:000311605000005;;;J;Patel, Aavishkar A.;Dutta, Amit;Sudden quenching in the Kitaev honeycomb model: Study of defect and heat;generation;PHYSICAL REVIEW B;86;17;174306;10.1103/PhysRevB.86.174306;NOV 28 2012;2012;We study the behavior of the defect and heat densities under sudden;quenching near the quantum critical points in the two-dimensional Kitaev;honeycomb model both in the thermodynamic and nonthermodynamic limits.;We consider quenches starting from a quantum critical point into the;gapped as well as the gapless phases. We choose points on the lines of;anisotropic quantum critical points as well as different points of;intersection of these lines as the initial points from where the;quenching starts. We find that the defect and heat densities display the;expected power-law scalings along with logarithmic corrections to;scaling (or cusp singularities) in certain cases. In the vicinity of;some of the intersection points, the scaling behaviors change,;indicating an effective dimensional reduction; the scaling behavior near;these points depends on the number of critical lines crossed in the;process of quenching. All the analytical predictions are also verified;by numerical integration.;1;0;0;0;1;1098-0121;WOS:000311604400002;;;J;Raith, Martin;Stano, Peter;Fabian, Jaroslav;Theory of spin relaxation in two-electron laterally coupled Si/SiGe;quantum dots;PHYSICAL REVIEW B;86;20;205321;10.1103/PhysRevB.86.205321;NOV 28 2012;2012;Highly accurate numerical results of phonon-induced two-electron spin;relaxation in silicon double quantum dots are presented. The relaxation,;enabled by spin-orbit coupling and the nuclei of Si-29 (natural or;purified abundance), is investigated for experimentally relevant;parameters, the interdot coupling, the magnetic field magnitude and;orientation, and the detuning. We calculate relaxation rates for zero;and finite temperatures (100 mK), concluding that our findings for zero;temperature remain qualitatively valid also for 100 mK. We confirm the;same anisotropic switch of the axis of prolonged spin lifetime with;varying detuning as recently predicted in GaAs. Conditions for possibly;hyperfine-dominated relaxation are much more stringent in Si than in;GaAs. For experimentally relevant regimes, the spin-orbit coupling,;although weak, is the dominant contribution, yielding anisotropic;relaxation rates of at least two orders of magnitude lower than in GaAs.;Raith, Martin/A-3357-2011; Stano, Peter/C-3016-2013; Fabian, Jaroslav/K-1700-2013;Fabian, Jaroslav/0000-0002-3009-4525;6;0;0;0;6;1098-0121;WOS:000311605000004;;;J;Romhanyi, Judit;Penc, Karlo;Multiboson spin-wave theory for Ba2CoGe2O7: A spin-3/2 easy-plane Neel;antiferromagnet with strong single-ion anisotropy;PHYSICAL REVIEW B;86;17;174428;10.1103/PhysRevB.86.174428;NOV 28 2012;2012;We consider the square-lattice antiferromagnetic Heisenberg Hamiltonian;extended with a single-ion axial anisotropy term as a minimal model for;the multiferroic Ba2CoGe2O7. Developing a multiboson spin-wave theory,;we investigate the dispersion of the spin excitations in this spin-3/2;system. As a consequence of a strong single-ion anisotropy, a stretching;(longitudinal) spin mode appears in the spectrum. The inelastic neutron;scattering spectra of Zheludev et al. [Phys. Rev. B 68, 024428 (2003)];are successfully reproduced by the low energy modes in the multiboson;spin-wave theory, and we anticipate the appearance of the spin;stretching modes at approximate to 4 meV that can be identified using;the calculated dynamical spin structure factors. We expect the;appearance of spin stretching modes for any S > 1/2 compound where the;single-ion anisotropy is significant.;Penc, Karlo/A-3092-2011;Penc, Karlo/0000-0002-2197-1370;5;1;0;0;5;1098-0121;WOS:000311604400004;;;J;Sarmadian, N.;Saniz, R.;Lamoen, D.;Partoens, B.;Influence of Al concentration on the optoelectronic properties of;Al-doped MgO;PHYSICAL REVIEW B;86;20;205129;10.1103/PhysRevB.86.205129;NOV 28 2012;2012;We use density functional theory within the local density approximation;to investigate the structural, electronic, and optical properties of;Al-doped MgO. The concentrations considered range from 6% to 56%. In the;latter case, we also compare the optical properties of the amorphous and;crystalline phases. We find that, overall, the electronic properties of;the crystalline phases change qualitatively little with Al;concentration. On the other hand, the changes in the electronic;structure in the amorphous phase are more important, most notably;because of deep impurity levels in the band gap that are absent in the;crystalline phase. This leads to observable effects in, e.g., the;optical absorption edge and in the refractive index. Thus, the latter;can be used to characterize the crystalline to amorphous transition with;Al doping level.;0;0;0;0;0;1098-0121;WOS:000311605000003;;;J;Smadici, S.;Nelson-Cheeseman, B. B.;Bhattacharya, A.;Abbamonte, P.;Interface ferromagnetism in a SrMnO3/LaMnO3 superlattice;PHYSICAL REVIEW B;86;17;174427;10.1103/PhysRevB.86.174427;NOV 28 2012;2012;Resonant soft x-ray absorption measurements at the O K edge on a;SrMnO3/LaMnO3 superlattice show a shoulder at the energy of doped holes,;which corresponds to the main peak of resonant scattering from the;modulation in the doped hole density. Scattering line shape at the Mn;L-3,L-2 edges has a strong variation below the ferromagnetic transition;temperature. This variation has a period equal to half the superlattice;superperiod and follows the development of the ferromagnetic moment,;pointing to a ferromagnetic phase developing at the interfaces. It;occurs at the resonant energies for Mn3+ and Mn4+ valences. A model for;these observations is presented, which includes a double-exchange;two-site orbital and the variation with temperature of the hopping;frequency t(ij) between the two sites.;Bhattacharya, Anand/G-1645-2011;Bhattacharya, Anand/0000-0002-6839-6860;1;0;0;0;1;1098-0121;WOS:000311604400003;;;J;Zanotto, Simone;Degl'Innocenti, Riccardo;Xu, Ji-Hua;Sorba, Lucia;Tredicucci, Alessandro;Biasiol, Giorgio;Ultrafast optical bleaching of intersubband cavity polaritons;PHYSICAL REVIEW B;86;20;201302;10.1103/PhysRevB.86.201302;NOV 28 2012;2012;We report on the transition from the strong to the weak light-matter;coupling regime between an intersubband excitation and a photonic;crystal resonance in a nanostructured semiconductor membrane. Such a;transition is induced by varying the intensity of an ultrafast light;pulse, which is employed for pumping and probing the system eigenmodes.;The phenomenon is interpreted in terms of the saturation of the;intersubband transition due to the large number of photoexcited;electrons in the quantum well, as confirmed by a thorough analysis;performed both in frequency and time domain.;Biasiol, Giorgio/C-5465-2009;Biasiol, Giorgio/0000-0001-7974-5459;5;0;0;0;5;1098-0121;WOS:000311605000002;;;J;Ciric, L.;Sienkiewicz, A.;Gaal, R.;Jacimovic, J.;Vaju, C.;Magrez, A.;Forro, L.;Defects and localization in chemically-derived graphene;PHYSICAL REVIEW B;86;19;195139;10.1103/PhysRevB.86.195139;NOV 27 2012;2012;We have performed electron spin resonance (ESR) measurements on a large;assembly of graphene oxide (GO) and reduced graphene oxide (RGO) flakes.;In GO samples the Curie tail is coming from 1.4 x 10(18) cm(-3) of;localized spins. Although reduction of GO was expected to reestablish;the pristine properties of graphene, no Pauli-like contribution was;detected and only a low concentration of 1.2 x 10(16) cm(-3) spin;carrying defects were measured. Our study, completed by resistivity;measurements, shows that the carrier transport in RGO samples is;dominated by hopping. The incomplete reduction of GO leaves behind a;large number of defects, presumably the majority of which are ESR;silent, causing the Anderson localization of the electronic states.;Slight doping with potassium indicates the appearance of a Pauli;contribution in the spin susceptibility.;Jacimovic, Jacim/C-2674-2013;2;0;0;0;2;1098-0121;WOS:000311537100001;;;J;Dietz, O.;Stoeckmann, H. -J.;Kuhl, U.;Izrailev, F. M.;Makarov, N. M.;Doppler, J.;Libisch, F.;Rotter, S.;Surface scattering and band gaps in rough waveguides and nanowires;PHYSICAL REVIEW B;86;20;201106;10.1103/PhysRevB.86.201106;NOV 27 2012;2012;The boundaries of waveguides and nanowires have drastic influence on;their coherent scattering properties. Designing the boundary profile is;thus a promising approach for transmission and band-gap engineering with;many applications. By performing an experimental study of microwave;transmission through rough waveguides we demonstrate that a recently;proposed surface scattering theory can be employed to predict the;measured transmission properties from the boundary profiles and vice;versa. A new key ingredient of this theory is a scattering mechanism;which depends on the squared gradient of the surface profiles. We;demonstrate the nontrivial effects of this scattering mechanism by;detailed mode-resolved microwave measurements and numerical simulations.;Dietz, Otto/E-9025-2011;4;0;0;0;4;1098-0121;WOS:000311537400001;;;J;Duong, Duc T.;Toney, Michael F.;Salleo, Alberto;Role of confinement and aggregation in charge transport in;semicrystalline polythiophene thin films;PHYSICAL REVIEW B;86;20;205205;10.1103/PhysRevB.86.205205;NOV 27 2012;2012;Crystallite orientations, molecular packing disorder, and hole mobility;of poly(3-hexylthiophene) thin films that are spin casted from different;solvents are studied as a function of film thickness. Grazing incidence;x-ray diffraction reveals that films consist of an ultrathin layer of;ordered, edge-on oriented aggregates and a more disordered, face-on;oriented bulk region. Diffraction and optical absorption spectroscopy;elucidate the film-forming process. Field-effect hole mobility provides;evidence for interconnecting aggregates as the mechanism for efficient;charge transport.;12;1;0;0;12;1098-0121;WOS:000311537400002;;;J;Farrell, David E.;Wolverton, C.;Structure and diffusion in liquid complex hydrides via ab initio;molecular dynamics;PHYSICAL REVIEW B;86;17;174203;10.1103/PhysRevB.86.174203;NOV 27 2012;2012;We have used density functional theory based ab initio molecular;dynamics (AIMD) to study NaAlH4, LiBH4, LiNH2, and Li2BNH6 across a;range of temperatures, above and below the experimental melting;temperature. We have elucidated the structure, vibrational, and;diffusion characteristics of these four materials. We find: (i) In all;cases, the liquid state remains a mixture of the ions found in the solid;state. (ii) The anions remain intact on average but undergo large;deformations across the range of temperatures. (iii) In the case of;LiNH2, there is evidence that the Li+ sublattice melts before the;anionic sublattice. (iv) We find a connection between increased;anion-anion ordering and reduced anion mobility even above the;experimental melting point, due to long range Coulombic interactions;between anions. (v) Finally, we find the liquid has the same major;vibrational modes as the solid, though the lower frequency vibration and;rotation modes become more prominent with increasing temperature.;Wolverton, Christopher/B-7542-2009;1;0;0;0;1;1098-0121;WOS:000311536400001;;;J;Gebhardt, Julian;Vines, Francesc;Goerling, Andreas;Influence of the surface dipole layer and Pauli repulsion on band;energies and doping in graphene adsorbed on metal surfaces;PHYSICAL REVIEW B;86;19;195431;10.1103/PhysRevB.86.195431;NOV 27 2012;2012;The synthesis of single-layer graphene sheets on metal surfaces can be;carried out routinely nowadays. The energetic alignment of the graphene;band structure, including the position of the Dirac point relative to;the Fermi level of the metal, and subsequently, the doping level of the;graphene sheet, depends crucially on the graphene-metal distance and the;specific metal considered. These dependencies are studied with;density-functional theory considering as typical metal surfaces Au(111),;Ni(111), and Au/Ni(111). In the latter case, a single layer of gold is;intercalated between the Ni(111) surface and the graphene sheet. We show;that the energetic positions of eigenstates of helium adsorbed on a;Au(111) surface exhibit a behavior with the adsorption distance;qualitatively comparable to that of bands of physisorbed graphene. In;both cases, the distance dependence of the energy of adsorbate bands can;be explained by the effect of the surface dipole layer on the adsorbate;bands and by electrostatic interactions caused by small charge;rearrangements due to Pauli repulsion between metal surface and;graphene. These charge rearrangements are neither caused by a charge;transfer nor by chemical interactions due to conventional orbital;interaction but have the effect to reduce the overlap of the surface;charge density of the metal with the charge density of the adsorbate.;The latter effect is known as pillow effect from molecules adsorbed on;metal surfaces. Charge transfer between graphene and the metal substrate;does occur but has an opposite effect to the surface dipole layer and;Pauli repulsion, i.e., reduces the effect of the latter. For very large;adsorption distances, this charge transfer vanishes in such a way that;the Dirac point of graphene aligns with the metal Fermi energy. It is;shown that the amount and character of graphene doping can be controlled;by tuning the graphene-metal distance. For a proper description of the;involved electrostatic potentials, a finite-slab correction had to be;applied to them in order to take into account the finite size of the;metal slabs used to model the substrate.;10;0;0;0;10;1098-0121;WOS:000311537100002;;;J;Han, Jae-Ho;Lee, Hyun-Woo;Interlayer exchange coupling between next nearest neighbor layers;PHYSICAL REVIEW B;86;17;174426;10.1103/PhysRevB.86.174426;NOV 27 2012;2012;Interlayer exchange coupling (IEC) between next nearest neighbor;magnetic layers is investigated. For a multilayer system that contains;threemagnetic layers (with magnetization directionsm (m)over-cap(1),;(m)(m)over-cap(2), and (m)(m)over-cap(3), respectively) separated by two;nonmagnetic layers, the angle dependence of the coupling energy and the;thickness dependence of coupling constants were obtained. In addition to;the well known nearest neighbor IEC of the form;-(J)over-tilde(12)(m)over-cap(1) center dot (m)over-cap(2) and;-(J)over-tilde(23)(m)over-cap(2) center dot (m)over-cap(3), we find the;next nearest neighbor IEC of the form -(J);over-tilde(123)((m)over-cap(1) center dot (m)over-cap(2))((m)over-cap(2);center dot (m)over-cap(3)), which is different from the Heisenberg type;next nearest neighbor coupling -J(13)(m)over-cap(1) center dot;(m)over-cap(3). The strength of the next nearest neighbor IEC oscillates;with respect to the thickness of both magnetic and nonmagnetic layers.;The strength of the next nearest neighbor IEC is generally smaller than;the conventional nearest neighbor IEC, but is large enough to allow for;experimental detection.;Lee, Hyun-Woo/B-8995-2008;Lee, Hyun-Woo/0000-0002-1648-8093;1;0;0;0;1;1098-0121;WOS:000311536400003;;;J;Lazo, Cesar;Neel, Nicolas;Kroeger, Joerg;Berndt, Richard;Heinze, Stefan;Tunneling magnetoresistance and exchange interaction in single-atom;contacts;PHYSICAL REVIEW B;86;18;180406;10.1103/PhysRevB.86.180406;NOV 27 2012;2012;The tunneling magnetoresistance of single-atom junctions is shown to;depend on the electrode separation owing to exchange forces and the;resulting geometric relaxations. An analytical model is proposed to;extract relaxations from the magnetoresistances measured with a scanning;tunneling microscope. Exchange forces and relaxations calculated within;density functional theory demonstrate the validity of the model for a;range of distances between tip and sample which extends from tunneling;close to the point of maximal attraction.;3;0;0;0;3;1098-0121;WOS:000311536700001;;;J;Luo, Xin;Sullivan, Michael B.;Quek, Su Ying;First-principles investigations of the atomic, electronic, and;thermoelectric properties of equilibrium and strained Bi2Se3 and Bi2Te3;including van der Waals interactions;PHYSICAL REVIEW B;86;18;184111;10.1103/PhysRevB.86.184111;NOV 27 2012;2012;Bi2Se3 and Bi2Te3 are layered compounds of technological importance,;being excellent thermoelectric materials as well as topological;insulators. We report density functional theory calculations of the;atomic, electronic, and thermoelectric properties of strained bulk and;thin-film Bi2Se3 and Bi2Te3, focusing on an appropriate description of;van der Waals (vdW) interactions. The calculations show that the van der;Waals density functional (vdW-DF) with Cooper's exchange (vdW-DFxC09);can reproduce closely the experimental interlayer distances in;unstrained Bi2Se3 and Bi2Te3. Interestingly, we predict atomic;structures that are in much better agreement with the experimentally;determined structure from Nakajima than that obtained from Wyckoff,;especially for Bi2Se3, where the difference in atomic structures;qualitatively changes the electronic band structure. The band structure;obtained using the Nakajima structure and the vdW-DFxC09 optimized;structure are in much better agreement with previous reports of;photoemission measurements, than that obtained using the Wyckoff;structure. Using vdW-DFxC09 to fully optimize atomic structures of bulk;and thin-film Bi2Se3 and Bi2Te3 under different in-plane and uniaxial;strains, we predict that the electronic bandgap of both the bulk;materials and thin films decreases with tensile in-plane strain and;increases with compressive in-plane strain. We also predict, using the;semiclassical Boltzmann approach, that the magnitude of the n-type;Seebeck coefficient of Bi2Te3 can be increased by the compressive;in-plane strain while that of Bi2Se3 can be increased with tensile;in-plane strain. Further, the in-plane power factor of n-doped Bi2Se3;can be increased with compressive uniaxial strain while that of n-doped;Bi2Te3 can be increased by compressive in-plane strain. Strain;engineering thus provides a direct method to control the electronic and;thermoelectric properties in these thermoelectric topological insulator;materials.;Quek, Su Ying/I-2934-2014;11;0;0;0;11;1098-0121;WOS:000311536700003;;;J;Olejnik, E.;Pandit, B.;Basel, T.;Lafalce, E.;Sheng, C-X.;Zhang, C.;Jiang, X.;Vardeny, Z. V.;Ultrafast optical studies of ordered poly(3-thienylene-vinylene) films;(vol 85, 235201, 2012);PHYSICAL REVIEW B;86;19;199903;10.1103/PhysRevB.86.199903;NOV 27 2012;2012;0;0;0;0;0;1098-0121;WOS:000311537100003;;;J;Qin, Zhen-Xing;Zhang, Chao;Tang, Ling-Yun;Zhong, Guo-Hua;Lin, Hai-Qing;Chen, Xiao-Jia;High-pressure phases of a hydrogen-rich compound: Tetramethylgermane;PHYSICAL REVIEW B;86;18;184110;10.1103/PhysRevB.86.184110;NOV 27 2012;2012;The vibrational and structural properties of a hydrogen-rich group IVa;hydride, Ge(CH3)(4), are studied by combining Raman spectroscopy and;synchrotron x-ray diffraction measurements at room temperature and at;pressures up to 30.2 GPa. Both techniques allow the obtaining of;complementary information on the high-pressure behaviors and yield;consistent phase transitions at 1.4 GPa for the liquid to solid and 3.0,;5.4, and 20.3 GPa for the solid to solid. The four high-pressure solid;phases are identified to have the cubic, orthorhombic, monoclinic, and;monoclinic crystal structures with space groups of Pa-3 for phase I,;Pnma for phase II, P2(1)/c for phase III, and P2(1) for phase IV,;respectively. These transitions are suggested to result from the changes;in the inter- and intramolecular bonding of this compound. The softening;of some Raman modes on CH3 groups and their sudden disappearance;indicate that Ge(CH3)(4) might be an ideal compound to realize;metallization and even high-temperature superconductivity at modest;static pressure for laboratory capability.;Zhong, Guohua/A-8811-2011; Zhang, Chao/E-5109-2010;Zhong, Guohua/0000-0003-0673-8738; Zhang, Chao/0000-0002-5957-2287;3;0;0;0;3;1098-0121;WOS:000311536700002;;;J;Wdowik, U. D.;Koza, M. M.;Chatterji, T.;Phonons in lanthanum manganite: Inelastic neutron scattering and density;functional theory studies;PHYSICAL REVIEW B;86;17;174305;10.1103/PhysRevB.86.174305;NOV 27 2012;2012;Dynamical properties of the lanthanum manganite lattice are examined by;inelastic neutron scattering experiments and density functional theory;calculations. Densities of vibrational states are measured close to the;Jahn-Teller transition temperature of 750 K. Substantial changes;observed in the phonon spectra above the phase transformation are due to;residual orthorhombic distortions that persist in the high-temperature;structure of lanthanum manganite. Results of the present theoretical;investigations supply additional information useful for both Raman and;infrared spectroscopies. In addition, they indicate that typical static;phonon calculations are insufficient to reproduce accurately;experimental magnitudes of these vibrational quantities of lanthanum;manganite that are determined to a large extent by dynamical effects.;0;0;0;0;0;1098-0121;WOS:000311536400002;;;J;Yan, Wei;Wubs, Martijn;Mortensen, N. Asger;Hyperbolic metamaterials: Nonlocal response regularizes broadband;supersingularity;PHYSICAL REVIEW B;86;20;205429;10.1103/PhysRevB.86.205429;NOV 27 2012;2012;We study metamaterials known as hyperbolic media that in the usual;local-response approximation exhibit hyperbolic dispersion and an;associated broadband singularity in the density of states. Instead, from;the more microscopic hydrodynamic Drude theory we derive qualitatively;different optical properties of these metamaterials, due to the;free-electron nonlocal optical response of their metal constituents. We;demonstrate that nonlocal response gives rise to a large-wavevector;cutoff in the dispersion that is inversely proportional to the Fermi;velocity of the electron gas, but also for small wavevectors we find;differences for the hyperbolic dispersion. Moreover, the size of the;unit cell influences effective parameters of the metamaterial even in;the deep subwavelength regime. Finally, instead of the broadband;supersingularity in the local density of states, we predict a large but;finite maximal enhancement proportional to the inverse cube of the Fermi;velocity.;Mortensen, Niels Asger/C-3592-2008; Wubs, Martijn/B-4934-2008;Mortensen, Niels Asger/0000-0001-7936-6264; Wubs,;Martijn/0000-0002-8286-7825;28;3;0;0;28;1098-0121;WOS:000311537400003;;;J;Yoneda, Y.;Kitanaka, Y.;Noguchi, Y.;Miyayama, M.;Electronic and local structures of Mn-doped BiFeO3 crystals;PHYSICAL REVIEW B;86;18;184112;10.1103/PhysRevB.86.184112;NOV 27 2012;2012;The electronic structure of complex oxides is important for;understanding their functional properties. Here, we report the results;of investigating multiferroic BiFeO3 using various x-ray spectroscopy;techniques. Zn- and Mn-codoped and Mn-doped BiFeO3 samples were prepared;with the aim of improving ferroelectric properties of BiFeO3. The;valences of the doped Mn and host Fe were investigated. When oxygen;vacancies exist in the sample, Mn acts as a hole acceptor. Furthermore,;Mn and Fe stabilize the perovskite unit by changing their ionic radius.;As a result, Mn and Fe atoms exhibit various valence states in the;BiFeO3 system. Evidence of the electronic structure for Fe 3d-O 2p-Bi 6s;hybridization is also presented.;2;0;0;0;2;1098-0121;WOS:000311536700004;;;J;Despoja, V.;Mowbray, D. J.;Vlahovic, D.;Marusic, L.;TDDFT study of time-dependent and static screening in graphene;PHYSICAL REVIEW B;86;19;195429;10.1103/PhysRevB.86.195429;NOV 26 2012;2012;Time-dependent density functional theory (TDDFT) within the random phase;approximation (RPA) is used to obtain the time evolution of the induced;potential produce by the sudden formation of a C 1s core hole inside a;graphene monolayer, and to show how the system reaches the equilibrium;potential. The characteristic oscillations in the time-dependent;screening potential are related to the excitations of pi and sigma + pi;plasmons as well as the low energy 2D plasmons in doped graphene. The;equilibrium RPA screened potential is compared with the DFT effective;potential, yielding good qualitative agreement. The self energy of a;point charge near a graphene monolayer is shown to demonstrate an image;potential type behavior, Ze/(z - z(0)), down to very short distances (4;a.u.) above the graphene layer. Both results are found to agree near;quantitatively with the DFT ground state energy shift of a Li+ ion;placed near a graphene monolayer.;Mowbray, Duncan/A-5531-2010; CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Mowbray, Duncan/0000-0002-8520-0364;;4;0;0;0;4;1098-0121;WOS:000311544500013;;;J;Anspoks, A.;Kalinko, A.;Kalendarev, R.;Kuzmin, A.;Atomic structure relaxation in nanocrystalline NiO studied by EXAFS;spectroscopy: Role of nickel vacancies;PHYSICAL REVIEW B;86;17;174114;10.1103/PhysRevB.86.174114;NOV 26 2012;2012;Nanocrystalline NiO samples have been studied using the Ni K-edge;extended x-ray absorption fine structure (EXAFS) spectroscopy and;recently developed modeling technique, combining classical molecular;dynamics with ab initio multiple-scattering EXAFS calculations;(MD-EXAFS). Conventional analysis of the EXAFS signals from the first;two coordination shells of nickel revealed that (i) the second shell;average distance R(Ni-Ni-2) expands in nanocrystalline NiO compared to;microcrystalline NiO, in agreement with overall unit cell volume;expansion observed by x-ray diffraction; (ii) on the contrary, the first;shell average distance R(Ni-O-1) in nanocrystalline NiO shrinks compared;to microcrystalline NiO; (iii) the thermal contribution into the;mean-square relative displacement sigma(2) is close in both;microcrystalline and nanocrystalline NiO and can be described by the;Debye model; (iv) the static disorder is additionally present in;nanocrystalline NiO in both the first Ni-O-1 and second Ni-Ni-2 shells;due to nanocrystal structure relaxation. Within the MD-EXAFS method, the;force-field potential models have been developed for nanosized NiO using;as a criterion the agreement between the experimental and theoretical;EXAFS spectra. The best solutions have been obtained for the 3D;cubic-shaped nanoparticle models with nonzero Ni vacancy concentration;C-vac: C-vac approximate to 0.4-1.2% for NiO nanoparticles having the;cube size of L approximate to 3.6-4.2 nm and C-vac approximate to;1.6-2.0% for NiO thin film composed of cubic nanograins with a size of L;approximate to 1.3-2.1 nm. Thus our results show that the Ni vacancies;in nanosized NiO play important role in its atomic structure relaxation;along with the size reduction effect.;Kuzmin, Alexei/A-2400-2010; Anspoks, Andris/E-8602-2010; Kalinko, Aleksandr/A-3421-2010;Kuzmin, Alexei/0000-0003-4641-6354; Anspoks, Andris/0000-0002-5162-4521;;;8;0;0;0;8;1098-0121;WOS:000311543200002;;;J;Dahlhaus, J. P.;Gibertini, M.;Beenakker, C. W. J.;Scattering theory of topological invariants in nodal superconductors;PHYSICAL REVIEW B;86;17;174520;10.1103/PhysRevB.86.174520;NOV 26 2012;2012;Time-reversal invariant superconductors having nodes of vanishing;excitation gap support zero-energy boundary states with topological;protection. Existing expressions for the topological invariant are given;in terms of the Hamiltonian of an infinite system. We give an;alternative formulation in terms of the Andreev reflection matrix of a;normal-metal-superconductor interface. This allows us to relate the;topological invariant to the angle-resolved Andreev conductance also;when the boundary state in the superconductor has merged with the;continuum of states in the normal metal. A variety of symmetry classes;is obtained, depending on additional unitary symmetries of the;reflection matrix. We derive conditions for the quantization of the;conductance in each symmetry class and test these on a model for a;two-or three-dimensional superconductor with spin-singlet and;spin-triplet pairing, mixed by Rashba spin-orbit interaction.;Beenakker, Carlo/B-7424-2008;Beenakker, Carlo/0000-0003-4748-4412;8;0;0;0;8;1098-0121;WOS:000311543200007;;;J;Ehlers, D.;Tsurkan, V.;von Nidda, H. -A. Krug;Loidl, A.;Intrinsic anomalous magnetic anisotropy of CdCr2S4;PHYSICAL REVIEW B;86;17;174423;10.1103/PhysRevB.86.174423;NOV 26 2012;2012;The magnetocrystalline anisotropy of the ferromagnetic spinel CdCr2S4;was investigated by ferromagnetic resonance measurements. By avoiding;any contact to iron during the sample preparation we can exclude that;the anisotropy is due to ferrous impurities, and by performing;wavelength dispersive electron probe microanalysis as well as annealing;experiments, it is demonstrated that the samples possess almost ideal;stoichiometry. The resonance data suggest that compositional deviations;from the stoichiometry up to 10(-3) have no influence on our conclusion;that the magnetocrystalline anisotropy is an intrinsic property of;CdCr2S4, caused by trigonal distortion of the sulfur octahedra;surrounding the Cr3+ ions. Anomalous low-temperature linewidth maxima in;the < 111 > directions can be understood by considering the crystal;fields acting on inequivalent sites of the magnetic ions in the spinel;structure and by taking into account the effect of exchange narrowing.;5;0;0;0;5;1098-0121;WOS:000311543200004;;;J;Nemec, M.;Foltin, G. R.;Schmidt, K. P.;Microscopic mechanism for the 1/8 magnetization plateau in SrCu2(BO3)(2);PHYSICAL REVIEW B;86;17;174425;10.1103/PhysRevB.86.174425;NOV 26 2012;2012;The frustrated quantum magnet SrCu2(BO3)(2) shows a remarkably rich;phase diagram in an external magnetic field including a sequence of;magnetization plateaux. The by far experimentally most studied and most;prominent magnetization plateau is the 1/8 plateau. Theoretically, one;expects that this material is well described by the Shastry-Sutherland;model. But, recent microscopic calculations indicate that the 1/8;plateau is energetically not favored. Here, we report on a very simple;microscopic mechanism which naturally leads to a 1/8 plateau for;realistic values of the magnetic exchange constants. We show that the;1/8 plateau with a square unit cell benefits most compared to other;plateau structures from quantum fluctuations which, to a large part, are;induced by Dzyaloshinskii-Moriya interactions. Physically, such;couplings result in kinetic terms in an effective hard-core-boson;description leading to a renormalization of the energy of the different;plateau structures which we treat in this work on the mean-field level.;The stability of the resulting plateaux are discussed. Furthermore, our;results indicate a series of stripe structures above 1/8 and a stable;magnetization plateau at 1/6. Most qualitative aspects of our;microscopic theory agree well with a recently formulated;phenomenological theory for the experimental data of SrCu2(BO3)(2).;Interestingly, our calculations point to a rather large ratio of the;magnetic couplings in the Shastry-Sutherland model such that;nonperturbative effects become essential for the understanding of the;frustrated quantum magnet SrCu2(BO3)(2).;Schmidt, Kai /C-7286-2009;5;0;0;0;5;1098-0121;WOS:000311543200006;;;J;Niedziela, Jennifer L.;McGuire, M. A.;Egami, T.;Local structural variation as source of magnetic moment reduction in;BaFe2As2;PHYSICAL REVIEW B;86;17;174113;10.1103/PhysRevB.86.174113;NOV 26 2012;2012;We report time-of-flight neutron powder diffraction results on;stoichiometric BaFe2As2. Pair distribution function analysis shows that;the orthorhombic distortion in the a-b plane at short distances are;significantly different from the average lattice distortion, indicating;local variations in the lattice at short range. We propose that this;local variation reflects a high density of nanotwins, short-ranged;structures which locally affect the magnetic alignment. This result;suggests that the discrepancies between the observed and calculated;magnetic moments in BaFe2As2 arise partly from short-ranged variation of;the lattice in the a-b plane.;McGuire, Michael/B-5453-2009;McGuire, Michael/0000-0003-1762-9406;2;0;0;0;2;1098-0121;WOS:000311543200001;;;J;Ross, K. A.;Proffen, Th.;Dabkowska, H. A.;Quilliam, J. A.;Yaraskavitch, L. R.;Kycia, J. B.;Gaulin, B. D.;Lightly stuffed pyrochlore structure of single-crystalline Yb2Ti2O7;grown by the optical floating zone technique;PHYSICAL REVIEW B;86;17;174424;10.1103/PhysRevB.86.174424;NOV 26 2012;2012;Recent neutron scattering and specific heat studies on the pyrochlore;Yb2Ti2O7 have revealed variations in its magnetic behavior below 265 mK.;In the best samples, a sharp anomaly in the specific heat is observed at;T = 265 mK. Other samples, especially single crystals, have broad;features in the specific heat which vary in sharpness and temperature;depending on the sample, indicating that the magnetic ground statemay be;qualitatively different in such samples. We performed detailed;comparisons of the chemical structure of a pulverized single crystal of;Yb2Ti2O7, grown by the floating zone technique, to a sintered powder;sample of Yb2Ti2O7. Rietveld refinements of neutron powder diffraction;data on these samples reveal that the crushed single crystal is best;described as a "stuffed" pyrochlore, Yb-2(Ti2-xYbx)O7-x/2 with x =;0.046(4), despite perfectly stoichiometric starting material.;Substituting magnetic Yb3+ on the nonmagnetic Ti4+ sublattice would;introduce random exchange bonds and local lattice deformations. These;are expected to be the mechanism leading to the variation of the;delicate magnetic ground state of Yb2Ti2O7. Determination of the cubic;cell length a could be useful as a method for characterizing the;stoichiometry of nonpulverized single crystals at room temperature.;Proffen, Thomas/B-3585-2009; Lujan Center, LANL/G-4896-2012;Proffen, Thomas/0000-0002-1408-6031;;29;2;0;0;29;1098-0121;WOS:000311543200005;;;J;Sims, H.;Butler, W. H.;Richter, M.;Koepernik, K.;Sasioglu, E.;Friedrich, C.;Bluegel, S.;Theoretical investigation into the possibility of very large moments in;Fe16N2;PHYSICAL REVIEW B;86;17;174422;10.1103/PhysRevB.86.174422;NOV 26 2012;2012;We examine the mystery of the disputed high-magnetization alpha;''-Fe16N2 phase, employing the Heyd-Scuseria-Ernzerhof screened hybrid;functional method, perturbative many-body corrections through the GW;approximation, and on-site Coulomb correlations through the generalized;gradient approximation (GGA) + U method. We present a first-principles;computation of the effective on-site Coulomb interaction (Hubbard U);between localized 3d electrons employing the constrained random-phase;approximation (cRPA), finding only somewhat stronger on-site;correlations than in bcc Fe. We find that the hybrid functional method,;the GW approximation, and the GGA + U method (using parameters computed;from cRPA) yield an average spin moment of 2.9 mu(B), 2.6-2.7 mu(B), and;2.7 mu(B) per Fe, respectively.;Sasioglu, Ersoy/H-8697-2013; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Sasioglu, Ersoy/0000-0002-1701-528X; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;0;0;0;7;1098-0121;WOS:000311543200003;;;J;Asahara, Akifumi;Nakajima, Makoto;Fukaya, Ryo;Tokoro, Hiroko;Ohkoshi, Shin-ichi;Suemoto, Tohru;Ultrafast dynamics of reversible photoinduced phase transitions in;rubidium manganese hexacyanoferrate investigated by midinfrared CN;vibration spectroscopy;PHYSICAL REVIEW B;86;19;195138;10.1103/PhysRevB.86.195138;NOV 26 2012;2012;Photoinduced phase switching dynamics between LTP (low-temperature;phase: Fe2+-CN-Mn3+) and PIHTP (photoinduced high-temperature phase:;Fe3+-CN-Mn2+) in rubidium manganese hexacyanoferrate at 4 K was;investigated by visible pump midinfrared probe transient absorption;spectroscopy. By monitoring the CN stretching vibration modes, which are;sensitive to the valence states of the adjacent metal ions, we could;qualify not only LTP and PIHTP but also the phase boundary;configurations (Fe2+-CN-Mn2+ and Fe3+-CN-Mn3+). In addition, by;irradiating with another light inducing the reverse process to the pump;light, we were able to apply a pump-probe measurement to the persistent;phase transitions. The electronic and structural dynamics in the;picosecond region were understood with a phenomenological spectral;fitting model. In particular, in both directions of these phase;transitions, the instantaneous generation of the boundary configuration;was observed. This observation suggests that relatively small domains;and/or low-dimensional fjord-like domains are created at the early stage;of the transition.;1;0;0;0;1;1098-0121;WOS:000311544500006;;;J;Baek, S. -H.;Choi, K. -Y.;Berger, H.;Buechner, B.;Grafe, H. -J.;Persistence of singlet fluctuations in the coupled spin tetrahedra;system Cu2Te2O5Br2 revealed by high-field magnetization, Br-79 NQR, and;Te-125 NMR;PHYSICAL REVIEW B;86;18;180405;10.1103/PhysRevB.86.180405;NOV 26 2012;2012;We present high-field magnetization and Br-79 nuclear quadrupole;resonance (NQR) and Te-125 nuclear magnetic resonance (NMR) studies in;the weakly coupled Cu2+ (S = 1/2) tetrahedral system Cu2Te2O5Br2. The;field-induced level crossing effects were observed by the magnetization;measurements in a long-ranged magnetically ordered state which was;confirmed by a strong divergence of the spin-lattice relaxation rate;T-1(-1) at T-0 = 13.5 K. In the paramagnetic state, T-1(-1) reveals an;effective singlet-triplet spin gap much larger than that observed by;static bulk measurements. Our results imply that the inter-and the;intratetrahedral interactions compete, but at the same time they;cooperate strengthening effectively the local intratetrahedral exchange;couplings. We discuss that the unusual feature originates from the;frustrated intertetrahedral interactions.;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;2;0;0;0;2;1098-0121;WOS:000311543600001;;;J;Beyersdorff, Bjoern;Hankemeier, Sebastian;Roessler, Stefan;Stark, Yuliya;Hoffmann, Germar;Froemter, Robert;Oepen, Hans Peter;Krueger, Benjamin;Thermal effects in spin-torque assisted domain wall depinning;PHYSICAL REVIEW B;86;18;184427;10.1103/PhysRevB.86.184427;NOV 26 2012;2012;We have investigated the magnetization reversal in V-shaped permalloy;(Py) nanowires under high dc currents via anisotropic magnetoresistance;(AMR) measurements. Utilizing a diamond substrate as heat sink, current;densities up to 2 x 10(12) A/m(2) can be applied. These high current;densities enabled us to observe spin-torque assisted switching in;thermal equilibrium, without the influence of transient effects. At high;currents, the field driven magnetization reversal process is influenced;by Joule heating, Oersted fields, and spin-torque effects. These;contributions can be identified in our experiment due to their different;symmetry properties under magnetization and current reversal. We obtain;two important results when evaluating the spin-torque efficiency;epsilon, which is proportional to the nonadiabaticity parameter beta.;First, we find different values for epsilon within the same sample,;obtained with just a slight variation of the experimental parameters.;Second, within the temperature range of 77 to 327 K, epsilon is found to;be constant.;Krueger, Benjamin/B-7466-2009; Hoffmann, Germar/D-8698-2011;Krueger, Benjamin/0000-0001-8502-368X;;2;1;0;0;2;1098-0121;WOS:000311543600004;;;J;Bhosale, J.;Ramdas, A. K.;Burger, A.;Munoz, A.;Romero, A. H.;Cardona, M.;Lauck, R.;Kremer, R. K.;Temperature dependence of band gaps in semiconductors: Electron-phonon;interaction;PHYSICAL REVIEW B;86;19;195208;10.1103/PhysRevB.86.195208;NOV 26 2012;2012;We have theoretically investigated, by ab initio techniques, the phonon;properties of several semiconductors with chalcopyrite structure.;Comparison with experiments has led us to distinguish between materials;with d electrons in the valence band (e. g., CuGaS2, AgGaS2) and those;without d electrons (e. g., ZnSnAs2). The former exhibit a rather;peculiar nonmonotonic temperature dependence of the energy gap which, so;far, has resisted cogent theoretical description. We analyze this;nonmonotonic temperature dependence by fitting two Bose-Einstein;oscillators with weights of opposite sign leading to an increase at low;temperatures and a decrease at higher temperatures and find that the;energy of the former correlates well with characteristic peaks in the;phonon density of states associated with low-energy vibrations of the;d-electron elements. We hope that this work will encourage theoretical;investigations of the electron-phonon interaction in this direction,;especially of the current ab initio type.;Munoz, Alfonso/K-7823-2013;Munoz, Alfonso/0000-0003-3347-6518;14;0;0;0;14;1098-0121;WOS:000311544500007;;;J;Deng, Nianpei;Watson, J. D.;Rokhinson, L. P.;Manfra, M. J.;Csathy, G. A.;Contrasting energy scales of reentrant integer quantum Hall states;PHYSICAL REVIEW B;86;20;201301;10.1103/PhysRevB.86.201301;NOV 26 2012;2012;We report drastically different onset temperatures of the reentrant;integer quantum Hall states in the second and third Landau level. This;finding is in quantitative disagreement with the Hartree-Fock theory of;the bubble phases which is thought to describe these reentrant states.;Our results indicate that the number of electrons per bubble in either;the second or the third Landau level is likely different than predicted.;1;0;0;0;1;1098-0121;WOS:000311545300002;;;J;Ehlert, M.;Song, C.;Ciorga, M.;Utz, M.;Schuh, D.;Bougeard, D.;Weiss, D.;All-electrical measurements of direct spin Hall effect in GaAs with;Esaki diode electrodes;PHYSICAL REVIEW B;86;20;205204;10.1103/PhysRevB.86.205204;NOV 26 2012;2012;We report on measurements of direct spin Hall effect in a lightly;n-doped GaAs channel with conductivity below 2000 Omega(-1) m(-1). As;spin detecting contacts, we employed highly efficient ferromagnetic;Fe/(Ga,Mn)As/GaAs Esaki diode structures. We investigate bias and;temperature dependence of the measured spin Hall signal and evaluate the;value of total spin Hall conductivity and its dependence on channel;conductivity and temperature. From the results, we determine skew;scattering and side-jump contribution to the total spin Hall;conductivity and compare it with the results of experiments on higher;conductive n-GaAs channels [Garlid, Hu, Chan, Palmstrom, and Crowell,;Phys. Rev. Lett. 105, 156602 (2010)]. As a result, we conclude that both;skewness and side jump contribution cannot be treated as fully;independent of the conductivity of the channel.;Song, Cheng/C-9800-2013;3;0;0;0;3;1098-0121;WOS:000311545300006;;;J;Fernandez, L. A.;Gordillo-Guerrero, A.;Martin-Mayor, V.;Ruiz-Lorenzo, J. J.;Numerical test of the Cardy-Jacobsen conjecture in the site-diluted;Potts model in three dimensions;PHYSICAL REVIEW B;86;18;184428;10.1103/PhysRevB.86.184428;NOV 26 2012;2012;present a microcanonical Monte Carlo simulation of the site-diluted;Potts model in three dimensions with eight internal states, partly;carried out on the citizen supercomputer Ibercivis. Upon dilution, the;pure model's first-order transition becomes of the second order at a;tricritical point. We compute accurately the critical exponents at the;tricritical point. As expected from the Cardy-Jacobsen conjecture, they;are compatible with their random field Ising model counterpart. The;conclusion is further reinforced by comparison with older data for the;Potts model with four states.;Fernandez, Luis Antonio/B-6056-2008; Ruiz-Lorenzo, Juan/A-2595-2009; Gordillo-Guerrero, Antonio/C-5531-2009; Martin-Mayor, Victor/B-1790-2010;Fernandez, Luis Antonio/0000-0001-9102-7652; Ruiz-Lorenzo,;Juan/0000-0003-0551-9891; Gordillo-Guerrero,;Antonio/0000-0001-9561-6040;;3;0;0;0;3;1098-0121;WOS:000311543600005;;;J;Fete, A.;Gariglio, S.;Caviglia, A. D.;Triscone, J. -M.;Gabay, M.;
7:3:1:68 Spin polarization in the Hubbard model with Rashba spin-orbit coupling on a ladder
DOI:10.1103/PhysRevB.88.045102 JN:PHYSICAL REVIEW B PY:2013 TC:5 AU: Riera, Jose A.;
7:3:1:69 Multiorbital structure of the two-dimensional electron gas in LaAlO3/SrTiO3 heterostructures: The formation of a d(xy) ferromagnetic sheet
DOI:10.1103/PhysRevB.87.075411 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Li, Jichao C.;Ignacio Beltran, Juan;Carmen Munoz, M.;
7:3:1:70 Magnetothermopower of delta-doped LaTiO3/SrTiO3 interfaces in the Kondo regime
DOI:10.1103/PhysRevB.90.075133 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Das, Shubhankar;Joshi, P. C.;Rastogi, A.;Hossain, Z.;Budhani, R. C.;
7:3:1:71 Kondo scattering in delta-doped LaTiO3/SrTiO3 interfaces: Renormalization by spin-orbit interactions
DOI:10.1103/PhysRevB.90.081107 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Das, Shubhankar;Rastogi, A.;Wu, Lijun;Zheng, Jin-Cheng;Hossain, Z.;Zhu, Yimei;Budhani, R. C.;
7:3:1:72 Defect Engineering in Oxide Heterostructures by Enhanced Oxygen Surface Exchange
DOI:10.1002/adfm.201203355 JN:ADVANCED FUNCTIONAL MATERIALS PY:2013 TC:25 AU: Huijben, Mark;Koster, Gertjan;Kruize, Michelle K.;Wenderich, Sander;Verbeeck, Jo;Bals, Sara;Slooten, Erik;Shi, Bo;Molegraaf, Hajo J. A.;Kleibeuker, Josee E.;van Aert, Sandra;Goedkoop, Jeroen B.;Brinkman, Alexander;Blank, Dave H. A.;Golden, Mark S.;van Tendeloo, Gustaaf;Hilgenkamp, Hans;Rijnders, Guus;
7:3:1:73 Transport properties of LaTiO3/SrTiO3 heterostructures
DOI:10.1063/1.3430006 JN:APPLIED PHYSICS LETTERS PY:2010 TC:12 AU: Ohtsuka, R.;Matvejeff, M.;Nishio, K.;Takahashi, R.;Lippmaa, M.;
7:3:1:74 Quantum oscillations and subband properties of the two-dimensional electron gas at the LaAlO3/SrTiO3 interface
DOI:10.1063/1.4863786 JN:APL MATERIALS PY:2014 TC:8 AU: McCollam, A.;Wenderich, S.;Kruize, M. K.;Guduru, V. K.;Molegraaf, H. J. A.;Huijben, M.;Koster, G.;Blank, D. H. A.;Rijnders, G.;Brinkman, A.;Hilgenkamp, H.;Zeitler, U.;Maan, J. C.;
7:3:1:75 Anomalous Magnetic Ground State in an LaAlO3/SrTiO3 Interface Probed by Transport through Nanowires
DOI:10.1103/PhysRevLett.113.216801 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Ron, A.;Maniv, E.;Graf, D.;Park, J. -H.;Dagan, Y.;
7:3:1:76 Magnetism at the edge: New phenomena at oxide interfaces
DOI:10.1557/mrs.2013.283 JN:MRS BULLETIN PY:2013 TC:3 AU: Coey, J. M. D.;Ariando;Pickett, W. E.;
7:3:1:77 Oxide-based platform for reconfigurable superconducting nanoelectronics
DOI:10.1088/0957-4484/24/37/375201 JN:NANOTECHNOLOGY PY:2013 TC:7 AU: Veazey, Joshua P.;Cheng, Guanglei;Irvin, Patrick;Cen, Cheng;Bogorin, Daniela F.;Bi, Feng;Huang, Mengchen;Bark, Chung-Wung;Ryu, Sangwoo;Cho, Kwang-Hwan;Eom, Chang-Beom;Levy, Jeremy;
7:3:1:78 Giant spin splitting of the two-dimensional electron gas at the surface of SrTiO3
DOI:10.1038/NMAT4107 JN:NATURE MATERIALS PY:2014 TC:8 AU: Santander-Syro, A. F.;Fortuna, F.;Bareille, C.;Roedel, T. C.;Landolt, G.;Plumb, N. C.;Dil, J. H.;Radovic, M.;
7:3:1:79 Fractionally delta-Doped Oxide Superlattices for Higher Carrier Mobilities
DOI:10.1021/nl301844z JN:NANO LETTERS PY:2012 TC:13 AU: Choi, Woo Seok;Lee, Suyoun;Cooper, Valentino R.;Lee, Ho Nyung;
7:3:1:80 Disorder and localization at the LaAlO3/SrTiO3 heterointerface
DOI:10.1103/PhysRevB.82.165413 JN:PHYSICAL REVIEW B PY:2010 TC:12 AU: Wong, Franklin J.;Chopdekar, Rajesh V.;Suzuki, Yuri;
7:3:1:81 Two-band superconductivity in doped SrTiO3 films and interfaces
DOI:10.1103/PhysRevB.87.014510 JN:PHYSICAL REVIEW B PY:2013 TC:8 AU: Fernandes, R. M.;Haraldsen, J. T.;Woelfle, P.;Balatsky, A. V.;
7:3:1:82 Biaxial strain-induced transport property changes in atomically tailored SrTiO3-based systems
DOI:10.1103/PhysRevB.90.125156 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Huang, Z.;Liu, Z. Q.;Yang, M.;Zeng, S. W.;Annadi, A.;Lue, W. M.;Tan, X. L.;Chen, P. F.;Sun, L.;Wang, X. Renshaw;Zhao, Y. L.;Li, C. J.;Zhou, J.;Han, K.;Wu, W. B.;Feng, Y. P.;Coey, J. M. D.;Venkatesan, T.;Ariando;
7:3:1:83 Control of a Two-Dimensional Electron Gas on SrTiO3(111) by Atomic Oxygen
DOI:10.1103/PhysRevLett.113.177601 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Walker, S. McKeown;de la Torre, A.;Bruno, F. Y.;Tamai, A.;Kim, T. K.;Hoesch, M.;Shi, M.;Bahramy, M. S.;King, P. D. C.;Baumberger, F.;
7:3:1:84 Spirals and Skyrmions in Two Dimensional Oxide Heterostructures
DOI:10.1103/PhysRevLett.112.067202 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:5 AU: Li, Xiaopeng;Liu, W. Vincent;Balents, Leon;
7:3:1:85 Magnetoresistance of two-dimensional and three-dimensional electron gas in LaAlO3/SrTiO3 heterostructures: Influence of magnetic ordering, interface scattering, and dimensionality
DOI:10.1103/PhysRevB.84.075312 JN:PHYSICAL REVIEW B PY:2011 TC:11 AU: Wang, X.;Lue, W. M.;Annadi, A.;Liu, Z. Q.;Gopinadhan, K.;Dhar, S.;Venkatesan, T.;Ariando;
7:3:1:86 Photoconducting state and its perturbation by electrostatic fields in oxide-based two-dimensional electron gas
DOI:10.1103/PhysRevB.86.075127 JN:PHYSICAL REVIEW B PY:2012 TC:10 AU: Rastogi, A.;Pulikkotil, J. J.;Auluck, S.;Hossain, Z.;Budhani, R. C.;
7:3:1:87 Large negative electronic compressibility of LaAlO3-SrTiO3 interfaces with ultrathin LaAlO3 layers
DOI:10.1103/PhysRevB.86.075116 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Tinkl, V.;Breitschaft, M.;Richter, C.;Mannhart, J.;
7:3:1:88 Conduction-band edge and Shubnikov-de Haas effect in low-electron-density SrTiO3
DOI:10.1103/PhysRevB.88.045114 JN:PHYSICAL REVIEW B PY:2013 TC:6 AU: Allen, S. James;Jalan, Bharat;Lee, SungBin;Ouellette, Daniel G.;Khalsa, Guru;Jaroszynski, Jan;Stemmer, Susanne;MacDonald, Allan H.;
7:3:1:89 Fourfold oscillation in anisotropic magnetoresistance and planar Hall effect at the LaAlO3/SrTiO3 heterointerfaces: Effect of carrier confinement and electric field on magnetic interactions
DOI:10.1103/PhysRevB.87.201102 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Annadi, A.;Huang, Z.;Gopinadhan, K.;Wang, X. Renshaw;Srivastava, A.;Liu, Z. Q.;Ma, H. Harsan;Sarkar, T. P.;Venkatesan, T.;Ariando;
7:3:1:90 Theoretical model for Rashba spin-orbit interaction in d electrons
DOI:10.1103/PhysRevB.90.165108 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Shanavas, K. V.;Popovic, Z. S.;Satpathy, S.;
7:3:1:91 Two-dimensional electron-gas-like charge transport at the interface between a magnetic Heusler alloy and SrTiO3
DOI:10.1103/PhysRevB.89.020401 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Rout, P. K.;Pandey, Himanshu;Wu, Lijun;Anupam;Joshi, P. C.;Hossain, Z.;Zhu, Yimei;Budhani, R. C.;
7:3:1:92 Anisotropic electrical transport properties of a two-dimensional electron gas at SrTiO3-LaAlO3 interfaces
DOI:10.1063/1.3600339 JN:APPLIED PHYSICS LETTERS PY:2011 TC:17 AU: Brinks, P.;Siemons, W.;Kleibeuker, J. E.;Koster, G.;Rijnders, G.;Huijben, M.;
7:3:1:93 Two-dimensional electron gas in a modulation-doped SrTiO3/Sr(Ti, Zr)O-3 heterostructure
DOI:10.1063/1.4819203 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Kajdos, Adam P.;Ouellette, Daniel G.;Cain, Tyler A.;Stemmer, Susanne;
7:3:1:94 Compositional and gate tuning of the interfacial conductivity in LaAlO3/LaTiO3/SrTiO3 heterostructures
DOI:10.1063/1.4794410 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Hosoda, Masayuki;Bell, Christopher;Hikita, Yasuyuki;Hwang, Harold Y.;
7:3:1:95 Optically excited multi-band conduction in LaAlO3/SrTiO3 heterostructures
DOI:10.1063/1.4790844 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Guduru, V. K.;del Aguila, A. Granados;Wenderich, S.;Kruize, M. K.;McCollam, A.;Christianen, P. C. M.;Zeitler, U.;Brinkman, A.;Rijnders, G.;Hilgenkamp, H.;Maan, J. C.;
7:3:1:96 Measurement of the Femtosecond Optical Absorption of LaAlO3/SrTiO3 Heterostructures: Evidence for an Extremely Slow Electron Relaxation at the Interface
DOI:10.1103/PhysRevLett.111.047403 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:4 AU: Yamada, Yasuhiro;Sato, Hiroki K.;Hikita, Yasuyuki;Hwang, Harold Y.;Kanemitsu, Yoshihiko;
7:3:1:97 Anomalous High Mobility in LaAlO3/SrTiO3 Nanowires
DOI:10.1021/nl3033729 JN:NANO LETTERS PY:2013 TC:14 AU: Irvin, Patrick;Veazey, Joshua P.;Cheng, Guanglei;Lu, Shicheng;Bark, Chung-Wung;Ryu, Sangwoo;Eom, Chang-Beom;Levy, Jeremy;
7:3:1:98 Orbital symmetry reconstruction and strong mass renormalization in the two-dimensional electron gas at the surface of KTaO3
DOI:10.1103/PhysRevB.86.121107 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Santander-Syro, A. F.;Bareille, C.;Fortuna, F.;Copie, O.;Gabay, M.;Bertran, F.;Taleb-Ibrahimi, A.;Le Fevre, P.;Herranz, G.;Reyren, N.;Bibes, M.;Barthelemy, A.;Lecoeur, P.;Guevara, J.;Rozenberg, M. J.;
7:3:1:99 Critical thickness for the two-dimensional electron gas in LaTiO3/SrTiO3 superlattices
DOI:10.1103/PhysRevB.88.155111 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: You, Jeong Ho;Lee, Jun Hee;
7:3:1:100 Metal-insulator transition at the LaAlO3/SrTiO3 interface revisited: A hybrid functional study
DOI:10.1103/PhysRevB.88.045119 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Cossu, F.;Schwingenschloegl, U.;Eyert, V.;
7:3:1:101 Universal conductance fluctuations in electrolyte-gated SrTiO3 nanostructures
DOI:10.1063/1.4832555 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Stanwyck, Sam W.;Gallagher, P.;Williams, J. R.;Goldhaber-Gordon, David;
7:3:1:102 Role of Percolation in the Conductance of Electrolyte-Gated SrTiO3
DOI:10.1103/PhysRevLett.109.196803 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:10 AU: Li, Mingyang;Graf, Tanja;Schladt, Thomas D.;Jiang, Xin;Parkin, Stuart S. P.;
7:3:1:103 Two-Dimensional Electron Gases at LaAlO3/SrTiO3 Interfaces: Orbital Symmetry and Hierarchy Engineered by Crystal Orientation
DOI:10.1103/PhysRevLett.113.156802 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Pesquera, D.;Scigaj, M.;Gargiani, P.;Barla, A.;Herrero-Martin, J.;Pellegrin, E.;Valvidares, S. M.;Gazquez, J.;Varela, M.;Dix, N.;Fontcuberta, J.;Sanchez, F.;Herranz, G.;
7:3:1:104 Phase coherent transport in SrTiO3/LaAlO3 interfaces
DOI:10.1103/PhysRevB.82.235119 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Rakhmilevitch, D.;Ben Shalom, M.;Eshkol, M.;Tsukernik, A.;Palevski, A.;Dagan, Y.;
7:3:1:105 Electronic correlation and strain effects at the interfaces between polar and nonpolar complex oxides
DOI:10.1103/PhysRevB.86.085450 JN:PHYSICAL REVIEW B PY:2012 TC:7 AU: Annadi, A.;Putra, A.;Liu, Z. Q.;Wang, X.;Gopinadhan, K.;Huang, Z.;Dhar, S.;Venkatesan, T.;Ariando;
7:3:1:106 Intrinsic spin-orbit coupling in superconducting delta-doped SrTiO3 heterostructures
DOI:10.1103/PhysRevB.86.085121 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Kim, M.;Kozuka, Y.;Bell, C.;Hikita, Y.;Hwang, H. Y.;
7:3:1:107 Enhanced carrier mobilities in two-dimensional electron gases at III-III/I-V oxide heterostructure interfaces
DOI:10.1103/PhysRevB.85.235109 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Cooper, Valentino R.;
7:3:1:108 Anomalous response to gate voltage application in mesoscopic LaAlO3/SrTiO3 devices
DOI:10.1103/PhysRevB.87.125409 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Rakhmilevitch, D.;Neder, I.;Ben Shalom, M.;Tsukernik, A.;Karpovski, M.;Dagan, Y.;Palevski, A.;
7:3:1:109 Thermally activated recovery of electrical conductivity in LaAlO3/SrTiO3
DOI:10.1103/PhysRevB.87.125110 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Seri, Snir;Schultz, Moty;Klein, Lior;
7:3:1:110 Weak localization, spin relaxation, and spin diffusion: Crossover between weak and strong Rashba coupling limits
DOI:10.1103/PhysRevB.90.125309 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Araki, Yasufumi;Khalsa, Guru;MacDonald, Allan H.;
7:3:1:111 Interfacial effects on the spin density wave in FeSe/SrTiO3 thin films
DOI:10.1103/PhysRevB.89.014501 JN:PHYSICAL REVIEW B PY:2014 TC:3 AU: Cao, Hai-Yuan;Tan, Shiyong;Xiang, Hongjun;Feng, D. L.;Gong, Xin-Gao;
7:3:1:112 Laterally confined two-dimensional electron gases in self-patterned LaAlO3/SrTiO3 interfaces
DOI:10.1063/1.4728109 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Foerster, M.;Bachelet, R.;Laukhin, V.;Fontcuberta, J.;Herranz, G.;Sanchez, F.;
7:3:1:113 Tunable bilayer two-dimensional electron gas in LaAlO3/SrTiO3 superlattices
DOI:10.1063/1.4887235 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Ma, H. J. Harsan;Huang, Z.;Lu, W. M.;Annadi, A.;Zeng, S. W.;Wong, L. M.;Wang, S. J.;Venkatesan, T.;Ariando;
7:3:1:114 Fabricating superconducting interfaces between artificially grown LaAlO3 and SrTiO3 thin films
DOI:10.1063/1.4854335 JN:APL MATERIALS PY:2014 TC:5 AU: Li, Danfeng;Gariglio, Stefano;Cancellieri, Claudia;Fete, Alexandre;Stornaiuolo, Daniela;Triscone, Jean-Marc;
7:3:1:115 Oxygen-Vacancy-Induced Orbital Reconstruction of Ti Ions at the Interface of LaAlO3/SrTiO3 Heterostructures: A Resonant Soft-X-Ray Scattering Study
DOI:10.1103/PhysRevLett.110.017401 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:7 AU: Park, J.;Cho, B-G;Kim, K. D.;Koo, J.;Jang, H.;Ko, K-T;Park, J-H;Lee, K-B;Kim, J-Y;Lee, D. R.;Burns, C. A.;Seo, S. S. A.;Lee, H. N.;
7:3:1:116 Density-Functional Prediction of a Surface Magnetic Phase in SrTiO3/LaAlO3 Heterostructures Induced by Al Vacancies
DOI:10.1103/PhysRevLett.113.186401 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Weston, L.;Cui, X. Y.;Ringer, S. P.;Stampfl, C.;
7:3:1:117 One-Dimensional Quantum Wire Formed at the Boundary between Two Insulating LaAlO3/SrTiO3 Interfaces
DOI:10.1103/PhysRevLett.112.136801 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:3 AU: Ron, A.;Dagan, Y.;
7:3:1:118 Nanoscale lithography of LaAlO3/SrTiO3 wires using silicon stencil masks
DOI:10.1088/0957-4484/25/44/445301 JN:NANOTECHNOLOGY PY:2014 TC:1 AU: Azimi, S.;Song, J.;Li, C. J.;Mathew, S.;Breese, M. B. H.;Venkatesan, T.;
7:3:1:119 Nanoscale Electrostatic Control of Oxide Interfaces
DOI:10.1021/acs.nanolen.5b00216 JN:NANO LETTERS PY:2015 TC:1 AU: Goswami, Srijit;Mulazimoglu, Emre;Vandersypen, Lieven M. K.;Caviglia, Andrea D.;
7:3:1:120 Local electronic structure of the superconducting interface LaAlO3/SrTiO3
DOI:10.1103/PhysRevB.81.144504 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Liu, Bin;Hu, Xiao;
7:3:1:121 Metal-insulator transition of the LaAlO3-SrTiO3 interface electron system
DOI:10.1103/PhysRevB.83.075402 JN:PHYSICAL REVIEW B PY:2011 TC:10 AU: Liao, Y. C.;Kopp, T.;Richter, C.;Rosch, A.;Mannhart, J.;
7:3:1:122 Electronic and magnetic properties in strongly correlated heterostructures
DOI:10.1103/PhysRevB.85.235112 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Ueda, Suguru;Kawakami, Norio;Sigrist, Manfred;
7:3:1:123 Method for defect stability diagram from ab initio calculations: A case study of SrTiO3
DOI:10.1103/PhysRevB.86.195107 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Samanta, Amit;Weinan, E.;Zhang, S. B.;
7:3:1:124 Intrinsic spin Hall effect at asymmetric oxide interfaces: Role of transverse wave functions
DOI:10.1103/PhysRevB.88.075405 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Hayden, Lorien X.;Raimondi, R.;Flatte, M. E.;Vignale, G.;
7:3:1:125 Electrically Tunable Optical Switching of a Mott Insulator-Band Insulator Interface
DOI:10.1002/adma.201001980 JN:ADVANCED MATERIALS PY:2010 TC:21 AU: Rastogi, A.;Kushwaha, A. K.;Shiyani, T.;Gangawar, A.;Budhani, R. C.;
7:3:1:126 Enhancing mid-infrared spectral response at the LaAlO3/SrTiO3 interface by magnetic field
DOI:10.1063/1.4904997 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Feng, Xin;Wu, Shi-Xiang;Zhao, Kun;Ni, Hao;Xi, Jian-Feng;Xiang, Wen-Feng;Lu, Zhi-Qing;Sun, Qi;
7:3:1:127 Spatial density profile of electrons near the LaAlO3/SrTiO3 heterointerface revealed by time-resolved photoluminescence spectroscopy
DOI:10.1063/1.4872171 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Yamada, Yasuhiro;Sato, Hiroki K.;Hikita, Yasuyuki;Hwang, Harold Y.;Kanemitsu, Yoshihiko;
7:3:1:128 Current-driven spin orbit field in LaAlO3/SrTiO3 heterostructures
DOI:10.1063/1.4899122 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Narayanapillai, Kulothungasagaran;Gopinadhan, Kalon;Qiu, Xuepeng;Annadi, Anil;Ariando;Venkatesan, Thirumalai;Yang, Hyunsoo;
7:3:1:129 Electric Field Tuning of the Rashba Effect in the Polar Perovskite Structures
DOI:10.1103/PhysRevLett.112.086802 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:2 AU: Shanavas, K. V.;Satpathy, S.;
7:3:1:130 Local electrostatic imaging of striped domain order in LaAlO3/SrTiO3
DOI:10.1038/NMAT3810 JN:NATURE MATERIALS PY:2013 TC:14 AU: Honig, M.;Sulpizio, J. A.;Drori, J.;Joshua, A.;Zeldov, E.;Ilani, S.;
7:3:1:131 First-principles study of electronic reconstructions of LaAlO3/SrTiO3 heterointerfaces and their variants
DOI:10.1103/PhysRevB.82.085430 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Chen, Hanghui;Kolpak, Alexie;Ismail-Beigi, Sohrab;
7:3:1:132 Electronic phases and phase separation in the Hubbard-Holstein model of a polar interface
DOI:10.1103/PhysRevB.83.195114 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Nanda, B. R. K.;Satpathy, S.;
7:3:1:133 Interplay between sheet resistance increase and magnetotransport properties in LaAlO3/SrTiO3
DOI:10.1103/PhysRevB.86.085118 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Seri, Snir;Schultz, Moty;Klein, Lior;
7:3:1:134 Enhanced persistent photoconductivity in delta-doped LaAIO(3)/SrTiO3 heterostructures
DOI:10.1103/PhysRevB.89.125127 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Rastogi, A.;Pulikkotil, J. J.;Budhani, R. C.;
7:3:1:135 Two-dimensional electron gas generated by La-doping at SrTiO3(001) surface: A first-principles study
DOI:10.1063/1.4811370 JN:AIP ADVANCES PY:2013 TC:1 AU: Li, Yun;Yu, Jaejun;
7:3:1:136 Two-dimensional superconductivity at (110) LaAlO3/SrTiO3 interfaces
DOI:10.1063/1.4901940 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Han, Yin-Long;Shen, Sheng-Chun;You, Jie;Li, Hai-Ou;Luo, Zhong-Zhong;Li, Cheng-Jian;Qu, Guo-Liang;Xiong, Chang-Min;Dou, Rui-Fen;He, Lin;Naugle, Don;Guo, Guo-Ping;Nie, Jia-Cai;
7:3:1:137 Revealing optically induced magnetization in SrTiO3 using optically coupled SQUID magnetometry and magnetic circular dichroism
DOI:10.1116/1.4871691 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2014 TC:0 AU: Rice, William D.;Ambwani, Palak;Thompson, Joe D.;Leighton, Christopher;Crooker, Scott A.;
7:3:1:138 Low-temperature dependence of the thermomagnetic transport properties of the SrTiO3/LaAlO3 interface
DOI:10.1103/PhysRevB.84.075423 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Lerer, S.;Ben Shalom, M.;Deutscher, G.;Dagan, Y.;
7:3:1:139 Transport properties of a quasi-two-dimensional electron system formed in LaAlO3/EuTiO3/SrTiO3 heterostructures
DOI:10.1103/PhysRevB.89.224413 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: De Luca, G. M.;Di Capua, R.;Di Gennaro, E.;Granozio, F. Miletto;Stornaiuolo, D.;Salluzzo, M.;Gadaleta, A.;Pallecchi, I.;Marre, D.;Piamonteze, C.;Radovic, M.;Ristic, Z.;Rusponi, S.;
7:3:1:140 Interlayer Cation Exchange Stabilizes Polar Perovskite Surfaces
DOI:10.1002/adma.201401858 JN:ADVANCED MATERIALS PY:2014 TC:2 AU: Deacon-Smith, Daniel E. E.;Scanlon, David O.;Catlow, C. Richard A.;Sokol, Alexey A.;Woodley, Scott M.;
7:3:1:141 Evolution of variable range hopping in strongly localized two dimensional electron gas at NdAlO3/SrTiO3 (100) heterointerfaces
DOI:10.1063/1.4768932 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Annadi, A.;Putra, A.;Srivastava, A.;Wang, X.;Huang, Z.;Liu, Z. Q.;Venkatesan, T.;Ariando;
7:3:1:142 Two-dimensional superconductivity between SrTiO3 and amorphous Al2O3
DOI:10.1063/1.4895120 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Fuchs, Dirk;Schaefer, Roland;Sleem, Ahmed;Schneider, Rudolf;Thelen, Richard;von Loehneysen, Hilbert;
7:3:1:143 Conductance control at the LaAlO3/SrTiO3-interface by a multiferroic BiFeO3 ad-layer
DOI:10.1063/1.4886405 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Mix, Christian;Finizio, Simone;Klaeui, Mathias;Jakob, Gerhard;
7:3:1:144 Electron transport at interface of LaAlO3 and SrTiO3 band insulators
DOI:10.1063/1.4794057 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Su, Shanshan;You, Jeong Ho;Lee, Chibum;
7:3:1:145 Oxygen vacancies at the surface of SrTiO3 thin films
DOI:10.1063/1.4861730 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Silva, Alexandre R.;Dalpian, Gustavo M.;
7:3:1:146 Electric-Field- Induced Polar Order and Localization of the Confined Electrons in LaAlO3=SrTiO3 Heterostructures
DOI:10.1103/PhysRevLett.110.136805 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:4 AU: Roessle, M.;Kim, K. W.;Dubroka, A.;Marsik, P.;Wang, C. N.;Jany, R.;Richter, C.;Mannhart, J.;Schneider, C. W.;Frano, A.;Wochner, P.;Lu, Y.;Keimer, B.;Shukla, D. K.;Strempfer, J.;Bernhard, C.;
7:3:1:147 Tuning Ferromagnetism at Interfaces between Insulating Perovskite Oxides
DOI:10.1103/PhysRevLett.113.127201 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Ganguli, Nirmal;Kelly, Paul J.;
7:3:1:148 Titanium d(xy) ferromagnetism at the LaAlO3/SrTiO3 interface
DOI:10.1038/NMAT3674 JN:NATURE MATERIALS PY:2013 TC:63 AU: Lee, J. -S.;Xie, Y. W.;Sato, H. K.;Bell, C.;Hikita, Y.;Hwang, H. Y.;Kao, C. -C.;
7:3:1:149 Scanning Probe Manipulation of Magnetism at the LaAlO3/SrTiO3 Heterointerface
DOI:10.1021/nl301451e JN:NANO LETTERS PY:2012 TC:9 AU: Kalisky, Beena;Bert, Julie A.;Bell, Christopher;Xie, Yanwu;Sato, Hiroki K.;Hosoda, Masayuki;Hikita, Yasuyuki;Hwang, Harold Y.;Moler, Kathryn A.;
7:3:1:150 Magnetotransport and spin dynamics in an electron gas formed at oxide interfaces
DOI:10.1103/PhysRevB.83.045309 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Jia, Chenglong;Berakdar, Jamal;
7:3:1:151 Atomically flat interface between a single-terminated LaAlO3 substrate and SrTiO3 thin film is insulating
DOI:10.1063/1.3688772 JN:AIP ADVANCES PY:2012 TC:6 AU: Liu, Z. Q.;Huang, Z.;Lue, W. M.;Gopinadhan, K.;Wang, X.;Annadi, A.;Venkatesan, T.;Ariando;
7:3:1:152 Alleviating polarity-conflict at the heterointerfaces of KTaO3/GdScO3 polar complex-oxides
DOI:10.1063/1.4895392 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Thompson, J.;Hwang, J.;Nichols, J.;Connell, J. G.;Stemmer, S.;Seo, S. S. A.;
7:3:1:153 Polarization and Electric Field Dependence of Electronic Properties in LaAlO3/SrTiO3 Heterostructures
DOI:10.1021/am201115r JN:ACS APPLIED MATERIALS & INTERFACES PY:2011 TC:7 AU: Yang, Xiaoping;Su, Haibin;
7:3:1:154 Multiple quantum criticality in a two-dimensional superconductor
DOI:10.1038/NMAT3624 JN:NATURE MATERIALS PY:2013 TC:20 AU: Biscaras, J.;Bergeal, N.;Hurand, S.;Feuillet-Palma, C.;Rastogi, A.;Budhani, R. C.;Grilli, M.;Caprara, S.;Lesueur, J.;
7:3:1:155 Local probing of coupled interfaces between two-dimensional electron and hole gases in oxide heterostructures by variable-temperature scanning tunneling spectroscopy
DOI:10.1103/PhysRevB.86.035140 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Huijben, M.;Kockmann, D.;Huijben, J.;Kleibeuker, J. E.;van Houselt, A.;Koster, G.;Blank, D. H. A.;Hilgenkamp, H.;Rijnders, G.;Brinkman, A.;Zandvliet, H. J. W.;
7:3:1:156 Electronic reconstruction and surface two-dimensional electron gas in a polarized heterostructure with a hole-doped single copper-oxygen plane
DOI:10.1103/PhysRevB.87.205116 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Yang, Xiaoping;Su, Haibin;
7:3:1:157 Influence of doping at the nanoscale at LaAlO3/SrTiO3 interfaces
DOI:10.1063/1.3481353 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Fix, T.;Schoofs, F.;MacManus-Driscoll, J. L.;Blamire, M. G.;
7:3:1:158 Quasi-two-dimensional electron gas behavior in doped LaAlO3 thin films on SrTiO3 substrates
DOI:10.1063/1.4800232 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Gray, M. T.;Sanders, T. D.;Wong, F. J.;Grutter, A. J.;Alaan, U. S.;He, C.;Jenkins, C. A.;Arenholz, E.;Suzuki, Y.;
7:3:1:159 Modulation of conductance and superconductivity by top-gating in LaAlO3/SrTiO3 2-dimensional electron systems
DOI:10.1063/1.4829555 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Eerkes, P. D.;van der Wiel, W. G.;Hilgenkamp, H.;
7:3:1:160 Enhancing interfacial conductivity and spatial charge confinement of LaAlO3/SrTiO3 heterostructures via strain engineering
DOI:10.1063/1.4897626 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Nazir, Safdar;Behtash, Maziar;Yang, Kesong;
7:3:1:161 Persistent Spin Oscillations in a Spin-Orbit-Coupled Superconductor
DOI:10.1103/PhysRevLett.107.077004 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:2 AU: Agarwal, Amit;Polini, Marco;Fazio, Rosario;Vignale, G.;
7:3:1:162 Low-temperature dependence of the thermomagnetic transport properties of the SrTiO3/LaAlO3 interface (vol 84, 075423, 2011)
DOI:10.1103/PhysRevB.84.119905 JN:PHYSICAL REVIEW B PY:2011 TC:0 AU: Lerer, S.;Ben Shalom, M.;Deutscher, G.;Dagan, Y.;
7:3:1:163 Many-body effects on the capacitance of multilayers made from strongly correlated materials
DOI:10.1103/PhysRevB.85.205444 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Hale, S. T. F.;Freericks, J. K.;
7:3:1:164 k center dot p subband structure of the LaAlO3/SrTiO3 interface
DOI:10.1103/PhysRevB.88.205140 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:3:1:165 Ion beam irradiation induced fabrication of vertical coupling waveguides
DOI:10.1063/1.4801307 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Liang, H. D.;Kumar, V. S.;Wu, J. F.;Breese, M. B. H.;
7:3:1:166 Electron excess in alkaline earth sub-nitrides: 2D electron gas or 3D electride?
DOI:10.1039/c3tc30690a JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2013 TC:5 AU: Walsh, Aron;Scanlon, David O.;
7:3:2:1 Low-dimensional Mott material: Transport in ultrathin epitaxial LaNiO3 films
DOI:10.1063/1.3309713 JN:APPLIED PHYSICS LETTERS PY:2010 TC:67 AU: Son, Junwoo;Moetakef, Pouya;LeBeau, James M.;Ouellette, Daniel;Balents, Leon;Allen, S. James;Stemmer, Susanne;
7:3:2:2 Electric-Field Control of the Metal-Insulator Transition in Ultrathin NdNiO3 Films
DOI:10.1002/adma.201003241 JN:ADVANCED MATERIALS PY:2010 TC:87 AU: Scherwitzl, Raoul;Zubko, Pavlo;Lezama, I. Gutierrez;Ono, Shimpei;Morpurgo, Alberto F.;Catalan, Gustau;Triscone, Jean-Marc;
7:3:2:3 Quantum confinement of Mott electrons in ultrathin LaNiO3/LaAlO3 superlattices
DOI:10.1103/PhysRevB.83.161102 JN:PHYSICAL REVIEW B PY:2011 TC:47 AU: Liu, Jian;Okamoto, S.;van Veenendaal, M.;Kareev, M.;Gray, B.;Ryan, P.;Freeland, J. W.;Chakhalian, J.;
7:3:2:4 Metal-Insulator Transition in Ultrathin LaNiO3 Films
DOI:10.1103/PhysRevLett.106.246403 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:49 AU: Scherwitzl, R.;Gariglio, S.;Gabay, M.;Zubko, P.;Gibert, M.;Triscone, J-M;
7:3:2:5 Quantum confinement in oxide quantum wells
DOI:10.1557/mrs.2013.265 JN:MRS BULLETIN PY:2013 TC:6 AU: Stemmer, Susanne;Millis, Andrew J.;
7:3:2:6 Asymmetric Orbital-Lattice Interactions in Ultrathin Correlated Oxide Films
DOI:10.1103/PhysRevLett.107.116805 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:49 AU: Chakhalian, J.;Rondinelli, J. M.;Liu, Jian;Gray, B. A.;Kareev, M.;Moon, E. J.;Prasai, N.;Cohn, J. L.;Varela, M.;Tung, I. C.;Bedzyk, M. J.;Altendorf, S. G.;Strigari, F.;Dabrowski, B.;Tjeng, L. H.;Ryan, P. J.;Freeland, J. W.;
7:3:2:7 Structural origins of the properties of rare earth nickelate superlattices
DOI:10.1103/PhysRevB.87.060101 JN:PHYSICAL REVIEW B PY:2013 TC:15 AU: Hwang, Jinwoo;Son, Junwoo;Zhang, Jack Y.;Janotti, Anderson;Van de Walle, Chris G.;Stemmer, Susanne;
7:3:2:8 Site-Selective Mott Transition in Rare-Earth-Element Nickelates
DOI:10.1103/PhysRevLett.109.156402 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:31 AU: Park, Hyowon;Millis, Andrew J.;Marianetti, Chris A.;
7:3:2:9 Metal-insulator transition in a two-band model for the perovskite nickelates
DOI:10.1103/PhysRevB.84.165119 JN:PHYSICAL REVIEW B PY:2011 TC:30 AU: Lee, SungBin;Chen, Ru;Balents, Leon;
7:3:2:10 Confinement-induced metal-to-insulator transition in strained LaNiO3/LaAlO3 superlattices
DOI:10.1103/PhysRevB.84.195450 JN:PHYSICAL REVIEW B PY:2011 TC:18 AU: Blanca-Romero, Ariadna;Pentcheva, Rossitza;
7:3:2:11 Lattice normal modes and electronic properties of the correlated metal LaNiO3
DOI:10.1103/PhysRevB.84.144101 JN:PHYSICAL REVIEW B PY:2011 TC:24 AU: Gou, Gaoyang;Grinberg, Ilya;Rappe, Andrew M.;Rondinelli, James M.;
7:3:2:12 Strain-mediated metal-insulator transition in epitaxial ultrathin films of NdNiO3
DOI:10.1063/1.3451462 JN:APPLIED PHYSICS LETTERS PY:2010 TC:33 AU: Liu, Jian;Kareev, M.;Gray, B.;Kim, J. W.;Ryan, P.;Dabrowski, B.;Freeland, J. W.;Chakhalian, J.;
7:3:2:13 Dynamical Mean-Field Theory of Nickelate Superlattices
DOI:10.1103/PhysRevLett.107.206804 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:28 AU: Han, M. J.;Wang, Xin;Marianetti, C. A.;Millis, A. J.;
7:3:2:14 Theory of the Magnetic and Metal-Insulator Transitions in RNiO3 Bulk and Layered Structures
DOI:10.1103/PhysRevLett.110.126404 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:11 AU: Lau, Bayo;Millis, Andrew J.;
7:3:2:15 Comparative DMFT study of the e(g)-orbital Hubbard model in thin films
DOI:10.1103/PhysRevB.89.085122 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Rueegg, Andreas;Hung, Hsiang-Hsuan;Gull, Emanuel;Fiete, Gregory A.;
7:3:2:16 Metal-Insulator Transition and Orbital Reconstruction in Mott-Type Quantum Wells Made of NdNiO3
DOI:10.1103/PhysRevLett.109.107402 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:11 AU: Liu, Jian;Kareev, M.;Meyers, D.;Gray, B.;Ryan, P.;Freeland, J. W.;Chakhalian, J.;
7:3:2:17 Orbital Control of Noncollinear Magnetic Order in Nickel Oxide Heterostructures
DOI:10.1103/PhysRevLett.111.106804 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:16 AU: Frano, A.;Schierle, E.;Haverkort, M. W.;Lu, Y.;Wu, M.;Blanco-Canosa, S.;Nwankwo, U.;Boris, A. V.;Wochner, P.;Cristiani, G.;Habermeier, H. U.;Logvenov, G.;Hinkov, V.;Benckiser, E.;Weschke, E.;Keimer, B.;
7:3:2:18 Chemical control of orbital polarization in artificially structured transition-metal oxides: La2NiXO6 (X=B, Al, Ga, In) from first principles
DOI:10.1103/PhysRevB.82.134408 JN:PHYSICAL REVIEW B PY:2010 TC:30 AU: Han, M. J.;Marianetti, C. A.;Millis, A. J.;
7:3:2:19 Orbital polarization in strained LaNiO3: Structural distortions and correlation effects
DOI:10.1103/PhysRevB.90.045128 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Peil, Oleg E.;Ferrero, Michel;Georges, Antoine;
7:3:2:20 Confinement-driven transitions between topological and Mott phases in (LaNiO3)(N)/(LaAlO3)(M)(111) superlattices
DOI:10.1103/PhysRevB.89.121110 JN:PHYSICAL REVIEW B PY:2014 TC:4 AU: Doennig, David;Pickett, Warren E.;Pentcheva, Rossitza;
7:3:2:21 Electronic structure of nickelates: From two-dimensional heterostructures to three-dimensional bulk materials
DOI:10.1103/PhysRevB.82.235123 JN:PHYSICAL REVIEW B PY:2010 TC:25 AU: Hansmann, P.;Toschi, A.;Yang, Xiaoping;Andersen, O. K.;Held, K.;
7:3:2:22 Hallmark of strong electronic correlations in LaNiO3: Photoemission kink and broadening of fully occupied bands
DOI:10.1103/PhysRevB.85.125137 JN:PHYSICAL REVIEW B PY:2012 TC:15 AU: Deng, Xiaoyu;Ferrero, Michel;Mravlje, Jernej;Aichhorn, Markus;Georges, Antoine;
7:3:2:23 Interplay of octahedral rotations and breathing distortions in charge-ordering perovskite oxides
DOI:10.1103/PhysRevB.88.054101 JN:PHYSICAL REVIEW B PY:2013 TC:5 AU: Balachandran, Prasanna V.;Rondinelli, James M.;
7:3:2:24 Covalency, double-counting, and the metal-insulator phase diagram in transition metal oxides
DOI:10.1103/PhysRevB.86.195136 JN:PHYSICAL REVIEW B PY:2012 TC:17 AU: Wang, Xin;Han, M. J.;de' Medici, Luca;Park, Hyowon;Marianetti, C. A.;Millis, Andrew J.;
7:3:2:25 Landau Theory of Charge and Spin Ordering in the Nickelates
DOI:10.1103/PhysRevLett.106.016405 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:22 AU: Lee, SungBin;Chen, Ru;Balents, Leon;
7:3:2:26 Modifying the Electronic Orbitals of Nickelate Heterostructures via Structural Distortions
DOI:10.1103/PhysRevLett.110.186402 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:10 AU: Chen, Hanghui;Kumah, Divine P.;Disa, Ankit S.;Walker, Frederick J.;Ahn, Charles H.;Ismail-Beigi, Sohrab;
7:3:2:27 Optical study of strained ultrathin films of strongly correlated LaNiO3
DOI:10.1103/PhysRevB.83.075125 JN:PHYSICAL REVIEW B PY:2011 TC:19 AU: Stewart, M. K.;Yee, C. -H.;Liu, Jian;Kareev, M.;Smith, R. K.;Chapler, B. C.;Varela, M.;Ryan, P. J.;Haule, K.;Chakhalian, J.;Basov, D. N.;
7:3:2:28 Strain and composition dependence of orbital polarization in nickel oxide superlattices
DOI:10.1103/PhysRevB.88.125124 JN:PHYSICAL REVIEW B PY:2013 TC:9 AU: Wu, M.;Benckiser, E.;Haverkort, M. W.;Frano, A.;Lu, Y.;Nwankwo, U.;Brueck, S.;Audehm, P.;Goering, E.;Macke, S.;Hinkov, V.;Wochner, P.;Christiani, G.;Heinze, S.;Logvenov, G.;Habermeier, H. -U.;Keimer, B.;
7:3:2:29 Nanoscale quantification of octahedral tilts in perovskite films
DOI:10.1063/1.4714734 JN:APPLIED PHYSICS LETTERS PY:2012 TC:19 AU: Hwang, Jinwoo;Zhang, Jack Y.;Son, Junwoo;Stemmer, Susanne;
7:3:2:30 Mott Physics near the Insulator-To-Metal Transition in NdNiO3
DOI:10.1103/PhysRevLett.107.176401 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:21 AU: Stewart, M. K.;Liu, Jian;Kareev, M.;Chakhalian, J.;Basov, D. N.;
7:3:2:31 Optical conductivity of LaNiO3: Coherent transport and correlation driven mass enhancement
DOI:10.1103/PhysRevB.82.165112 JN:PHYSICAL REVIEW B PY:2010 TC:21 AU: Ouellette, Daniel G.;Lee, SungBin;Son, Junwoo;Stemmer, Susanne;Balents, Leon;Millis, Andrew J.;Allen, S. James;
7:3:2:32 Ordering and multiple phase transitions in ultrathin nickelate superlattices
DOI:10.1103/PhysRevB.86.195132 JN:PHYSICAL REVIEW B PY:2012 TC:9 AU: Puggioni, Danilo;Filippetti, Alessio;Fiorentini, Vincenzo;
7:3:2:33 Tuning the Structure of Nickelates to Achieve Two-Dimensional Electron Conduction
DOI:10.1002/adma.201304256 JN:ADVANCED MATERIALS PY:2014 TC:8 AU: Kumah, Divine P.;Disa, Ankit S.;Ngai, Joseph H.;Chen, Hanghui;Malashevich, Andrei;Reiner, James W.;Ismail-Beigi, Sohrab;Walker, Frederick J.;Ahn, Charles H.;
7:3:2:34 Conductivity enhancement of ultrathin LaNiO3 films in superlattices
DOI:10.1063/1.3511738 JN:APPLIED PHYSICS LETTERS PY:2010 TC:20 AU: Son, Junwoo;LeBeau, James M.;Allen, S. James;Stemmer, Susanne;
7:3:2:35 Heterostructuring and strain effects on the infrared optical properties of nickelates
DOI:10.1103/PhysRevB.86.205102 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Stewart, M. K.;Brownstead, D.;Liu, Jian;Kareev, M.;Chakhalian, J.;Basov, D. N.;
7:3:2:36 Strain-modulated Mott transition in EuNiO3 ultrathin films
DOI:10.1103/PhysRevB.88.075116 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Meyers, D.;Middey, S.;Kareev, M.;van Veenendaal, M.;Moon, E. J.;Gray, B. A.;Liu, Jian;Freeland, J. W.;Chakhalian, J.;
7:3:2:37 Octahedral engineering of orbital polarizations in charge transfer oxides
DOI:10.1103/PhysRevB.87.155135 JN:PHYSICAL REVIEW B PY:2013 TC:5 AU: Cammarata, Antonio;Rondinelli, James M.;
7:3:2:38 Gradual localization of Ni 3d states in LaNiO3 ultrathin films induced by dimensional crossover
DOI:10.1103/PhysRevB.87.075132 JN:PHYSICAL REVIEW B PY:2013 TC:5 AU: Sakai, Enju;Tamamitsu, Masatomo;Yoshimatsu, Kohei;Okamoto, Satoshi;Horiba, Koji;Oshima, Masaharu;Kumigashira, Hiroshi;
7:3:2:39 Hall effect measurements on epitaxial SmNiO3 thin films and implications for antiferromagnetism
DOI:10.1103/PhysRevB.87.125150 JN:PHYSICAL REVIEW B PY:2013 TC:8 AU: Ha, Sieu D.;Jaramillo, R.;Silevitch, D. M.;Schoofs, Frank;Kerman, Kian;Baniecki, John D.;Ramanathan, Shriram;
7:3:2:40 Two-Dimensional Confinement of 3d(1) Electrons in LaTiO3/LaAlO3 Multilayers
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7:3:2:41 Spin-moment formation and reduced orbital polarization in LaNiO3/LaAlO3 superlattice: LDA plus U study
DOI:10.1103/PhysRevB.85.195102 JN:PHYSICAL REVIEW B PY:2012 TC:9 AU: Han, Myung Joon;van Veenendaal, Michel;
7:3:2:42 Total energy calculations using DFT plus DMFT: Computing the pressure phase diagram of the rare earth nickelates
DOI:10.1103/PhysRevB.89.245133 JN:PHYSICAL REVIEW B PY:2014 TC:2 AU: Park, Hyowon;Millis, Andrew J.;Marianetti, Chris A.;
7:3:2:43 Probing the metal-insulator transition of NdNiO3 by electrostatic doping
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7:3:2:44 A heterojunction modulation-doped Mott transistor
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7:3:2:45 Strain controlled metal-insulator transition in epitaxial NdNiO3 thin films
DOI:10.1063/1.4858455 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Xiang, P. -H.;Zhong, N.;Duan, C. -G.;Tang, X. D.;Hu, Z. G.;Yang, P. X.;Zhu, Z. Q.;Chu, J. H.;
7:3:2:46 Ultrafast Strain Engineering in Complex Oxide Heterostructures
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7:3:2:47 Effect of polar discontinuity on the growth of LaNiO3/LaAlO3 superlattices
DOI:10.1063/1.3371690 JN:APPLIED PHYSICS LETTERS PY:2010 TC:19 AU: Liu, Jian;Kareev, M.;Prosandeev, S.;Gray, B.;Ryan, P.;Freeland, J. W.;Chakhalian, J.;
7:3:2:48 Polarity-driven nickel oxide precipitation in LaNiO3-LaAlO3 superlattices
DOI:10.1063/1.3663568 JN:APPLIED PHYSICS LETTERS PY:2011 TC:10 AU: Detemple, E.;Ramasse, Q. M.;Sigle, W.;Cristiani, G.;Habermeier, H. -U.;Benckiser, E.;Boris, A. V.;Frano, A.;Wochner, P.;Wu, M.;Keimer, B.;van Aken, P. A.;
7:3:2:49 Electrically induced insulator to metal transition in epitaxial SmNiO3 thin films
DOI:10.1063/1.4890329 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Shukla, Nikhil;Joshi, Toyanath;Dasgupta, Sandeepan;Borisov, Pavel;Lederman, David;Datta, Suman;
7:3:2:50 Lattice distortions and octahedral rotations in epitaxially strained LaNiO3/LaAlO3 superlattices
DOI:10.1063/1.4881557 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Kinyanjui, M. K.;Lu, Y.;Gauquelin, N.;Wu, M.;Frano, A.;Wochner, P.;Reehuis, M.;Christiani, G.;Logvenov, G.;Habermeier, H. -U.;Botton, G. A.;Kaiser, U.;Keimer, B.;Benckiser, E.;
7:3:2:51 Optical probe of strong correlations in LaNiO3 thin films
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7:3:2:52 Formal Valence, 3d-Electron Occupation, and Charge-Order Transitions
DOI:10.1103/PhysRevLett.109.216401 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:10 AU: Quan, Yundi;Pardo, Victor;Pickett, Warren E.;
7:3:2:53 Electronic structure and orbital polarization of LaNiO3 with a reduced coordination and under strain: A first-principles study
DOI:10.1103/PhysRevB.84.125137 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Han, Myung Joon;van Veenendaal, Michel;
7:3:2:54 Connecting bulk symmetry and orbital polarization in strained RNiO3 ultrathin films
DOI:10.1103/PhysRevB.88.205112 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Tung, I. C.;Balachandran, P. V.;Liu, Jian;Gray, B. A.;Karapetrova, E. A.;Lee, J. H.;Chakhalian, J.;Bedzyk, M. J.;Rondinelli, J. M.;Freeland, J. W.;
7:3:2:55 Rationalizing strain engineering effects in rare-earth nickelates
DOI:10.1103/PhysRevB.88.195108 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Bruno, F. Y.;Rushchanskii, K. Z.;Valencia, S.;Dumont, Y.;Carretero, C.;Jacquet, E.;Abrudan, R.;Bluegel, S.;Lezaic, M.;Bibes, M.;Barthelemy, A.;
7:3:2:56 Engineering Correlation Effects via Artificially Designed Oxide Superlattices
DOI:10.1103/PhysRevLett.111.116403 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:6 AU: Chen, Hanghui;Millis, Andrew J.;Marianetti, Chris A.;
7:3:2:57 Strain-controlled band engineering and self-doping in ultrathin LaNiO3 films
DOI:10.1103/PhysRevB.85.121106 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Moon, E. J.;Rondinelli, J. M.;Prasai, N.;Gray, B. A.;Kareev, M.;Chakhalian, J.;Cohn, J. L.;
7:3:2:58 Field-effect diode based on electron-induced Mott transition in NdNiO3
DOI:10.1063/1.4757865 JN:APPLIED PHYSICS LETTERS PY:2012 TC:5 AU: Lim, W. L.;Moon, E. J.;Freeland, J. W.;Meyers, D. J.;Kareev, M.;Chakhalian, J.;Urazhdin, S.;
7:3:2:59 Ab initio study of the factors affecting the ground state of rare-earth nickelates
DOI:10.1103/PhysRevB.85.214431 JN:PHYSICAL REVIEW B PY:2012 TC:7 AU: Prosandeev, Sergey;Bellaiche, L.;Iniguez, Jorge;
7:3:2:60 Quasiparticle self-consistent GW study of LaNiO3 and LaNiO3/LaAlO3 superlattice
DOI:10.1103/PhysRevB.90.035127 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Han, Myung Joon;Kino, Hiori;Kotani, Takao;
7:3:2:61 Phonon Raman scattering of perovskite LaNiO3 thin films
DOI:10.1063/1.3464958 JN:APPLIED PHYSICS LETTERS PY:2010 TC:15 AU: Chaban, N.;Weber, M.;Pignard, S.;Kreisel, J.;
7:3:2:62 Electrostatic gating of metallic and insulating phases in SmNiO3 ultrathin films
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7:3:2:63 Temperature-dependence of the Hall coefficient of NdNiO3 thin films
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7:3:2:64 Ruddlesden-Popper faults in LaNiO3/LaAlO3 superlattices
DOI:10.1063/1.4731249 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:6 AU: Detemple, E.;Ramasse, Q. M.;Sigle, W.;Cristiani, G.;Habermeier, H. -U.;Keimer, B.;van Aken, P. A.;
7:3:2:65 Suppression of Near-Fermi Level Electronic States at the Interface in a LaNiO3/SrTiO3 Superlattice
DOI:10.1103/PhysRevLett.107.116402 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:9 AU: Kaiser, A. M.;Gray, A. X.;Conti, G.;Son, J.;Greer, A.;Perona, A.;Rattanachata, A.;Saw, A. Y.;Bostwick, A.;Yang, S.;Yang, S. -H.;Gullikson, E. M.;Kortright, J. B.;Stemmer, S.;Fadley, C. S.;
7:3:2:66 Charge Disproportionation without Charge Transfer in the Rare-Earth-Element Nickelates as a Possible Mechanism for the Metal-Insulator Transition
DOI:10.1103/PhysRevLett.112.106404 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:3 AU: Johnston, Steve;Mukherjee, Anamitra;Elfimov, Ilya;Berciu, Mona;Sawatzky, George A.;
7:3:2:67 Effect of composition and strain on the electrical properties of LaNiO3 thin films
DOI:10.1063/1.4823697 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Zhu, Mingwei;Komissinskiy, Philipp;Radetinac, Aldin;Vafaee, Mehran;Wang, Zhanjie;Alff, Lambert;
7:3:2:68 Electronic transitions in strained SmNiO3 thin films
DOI:10.1063/1.4902138 JN:APL MATERIALS PY:2014 TC:4 AU: Catalano, S.;Gibert, M.;Bisogni, V.;Peil, O. E.;He, F.;Sutarto, R.;Viret, M.;Zubko, P.;Scherwitzl, R.;Georges, A.;Sawatzky, G. A.;Schmitt, T.;Triscone, J. -M.;
7:3:2:69 Structural stability and electronic properties of LaO- and NiO2-terminated LaNiO3 (001) surface
DOI:10.1016/j.apsusc.2012.10.066 JN:APPLIED SURFACE SCIENCE PY:2013 TC:2 AU: Guan, Li;Zuo, Jingai;Jia, Guoqi;Liu, Qingbo;Wei, Wei;Guo, Jianxin;Dai, Xiuhong;Liu, Baoting;Wang, Yinglong;Fu, Guangsheng;
7:3:2:70 Charge transfer and interfacial magnetism in (LaNiO3)(n)/(LaMnO3)(2) superlattices
DOI:10.1103/PhysRevB.88.144411 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Hoffman, J.;Tung, I. C.;Nelson-Cheeseman, B. B.;Liu, M.;Freeland, J. W.;Bhattacharya, A.;
7:3:2:71 Anisotropic-strain-controlled metal-insulator transition in epitaxial NdNiO3 films grown on orthorhombic NdGaO3 substrates
DOI:10.1063/1.4826678 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Lian, X. K.;Chen, F.;Tan, X. L.;Chen, P. F.;Wang, L. F.;Gao, G. Y.;Jin, S. W.;Wu, W. B.;
7:3:2:72 Charge transfer, confinement, and ferromagnetism in LaMnO3/LaNiO3 (001) superlattices
DOI:10.1103/PhysRevB.88.035126 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Lee, Alex Taekyung;Han, Myung Joon;
7:3:2:73 Sub-monolayer nucleation and growth of complex oxides at high supersaturation and rapid flux modulation
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7:3:2:74 Contrasting effects of doping on insulating and metallic states of NdNi1-xMnxO3 thin films
DOI:10.1063/1.4866999 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Chandra, Mahesh;Aziz, Fozia;Tripathi, Shivendra;Rana, Rakesh;Rana, D. S.;Mavani, K. R.;
7:3:2:75 Insulating state of ultrathin epitaxial LaNiO3 thin films detected by hard x-ray photoemission
DOI:10.1103/PhysRevB.84.075104 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Gray, A. X.;Janotti, A.;Son, J.;LeBeau, J. M.;Ueda, S.;Yamashita, Y.;Kobayashi, K.;Kaiser, A. M.;Sutarto, R.;Wadati, H.;Sawatzky, G. A.;Van de Walle, C. G.;Stemmer, S.;Fadley, C. S.;
7:3:2:76 Probing the metal-insulator transition in nickelates using soft x-ray absorption spectroscopy
DOI:10.1063/1.4861132 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Bruno, F. Y.;Valencia, S.;Abrudan, R.;Dumont, Y.;Carretero, C.;Bibes, M.;Barthelemy, A.;
7:3:2:77 Electrothermal actuation of metal-insulator transition in SmNiO3 thin film devices above room temperature
DOI:10.1063/1.4729490 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Ha, Sieu D.;Viswanath, B.;Ramanathan, Shriram;
7:3:2:78 Pressure dependence of metal-insulator transition in perovskites RNiO3 (R=Eu, Y, Lu)
DOI:10.1103/PhysRevB.82.085107 JN:PHYSICAL REVIEW B PY:2010 TC:10 AU: Cheng, J-G.;Zhou, J-S.;Goodenough, J. B.;Alonso, J. A.;Martinez-Lope, M. J.;
7:3:2:79 Effect of structural and magnetic exchange coupling on the electronic transport of NdNiO3 films intercalated with La0.7Sr0.3MnO3 thin layers
DOI:10.1063/1.4813490 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Pandey, Parul;Rana, Rakesh;Tripathi, Shivendra;Rana, D. S.;
7:3:2:80 Phase diagram of compressively strained nickelate thin films
DOI:10.1063/1.4820431 JN:APL MATERIALS PY:2013 TC:9 AU: Disa, A. S.;Kumah, D. P.;Ngai, J. H.;Specht, E. D.;Arena, D. A.;Walker, F. J.;Ahn, C. H.;
7:3:2:81 Heterogeneous nucleation and metal-insulator transition in epitaxial films of NdNiO3
DOI:10.1063/1.3481396 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:10 AU: Kumar, Devendra;Rajeev, K. P.;Kushwaha, A. K.;Budhani, R. C.;
7:3:2:82 Evidence of quantum correction to conductivity in strained epitaxial LaNiO3 films
DOI:10.1063/1.3494091 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:9 AU: Kumar, Yogesh;Choudhary, R. J.;Singh, Abhinav Pratap;Anjum, G.;Kumar, Ravi;
7:3:2:83 e(g)-level splitting in a layered perovskite manganite as revealed by charge modulation spectroscopy
DOI:10.1103/PhysRevB.86.125127 JN:PHYSICAL REVIEW B PY:2012 TC:0 AU: Nakamura, Masao;Kawasaki, Masashi;Tokura, Yoshinori;
7:3:2:84 Structure, strain, and the ground state of the LaTiO3/LaAlO3 superlattice
DOI:10.1103/PhysRevB.89.115108 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Lee, Alex Taekyung;Han, Myung Joon;
7:3:2:85 DC current induced metal-insulator transition in epitaxial Sm0.6Nd0.4NiO3/LaAlO3 thin film
DOI:10.1063/1.4874642 JN:AIP ADVANCES PY:2014 TC:2 AU: Huang, Haoliang;Luo, Zhenlin;Yang, Yuanjun;Yun, Yu;Yang, Mengmeng;Meng, Dechao;Wang, Haibo;Hu, Sixia;Bao, Jun;Lu, Yalin;Gao, Chen;
7:3:2:86 Inductive crystal field control in layered metal oxides with correlated electrons
DOI:10.1063/1.4890544 JN:APL MATERIALS PY:2014 TC:5 AU: Balachandran, P. V.;Cammarata, A.;Nelson-Cheeseman, B. B.;Bhattacharya, A.;Rondinelli, J. M.;
7:3:2:87 Revealing the atomic and electronic structure of a SrTiO3/LaNiO3/SrTiO3 heterostructure interface
DOI:10.1063/1.4868513 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Zhang, Zaoli;Soltan, S.;Schimd, H.;Habermeier, H. -U.;Keimer, B.;Kaiser, U.;
7:3:2:88 Effect of grain boundary on electrical properties of polycrystalline lanthanum nickel oxide thin films
DOI:10.1007/s00339-012-7466-5 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:2 AU: Zhu, M. W.;Wang, Z. J.;Chen, Y. N.;Wang, H. L.;Zhang, Z. D.;
7:3:2:89 Room temperature Mott metal-insulator transition and its systematic control in Sm1-xCaxNiO3 thin films
DOI:10.1063/1.3467199 JN:APPLIED PHYSICS LETTERS PY:2010 TC:6 AU: Xiang, P. -H.;Asanuma, S.;Yamada, H.;Inoue, I. H.;Akoh, H.;Sawa, A.;
7:3:2:90 SmNiO3/NdNiO3 thin film multilayers
DOI:10.1063/1.3599580 JN:APPLIED PHYSICS LETTERS PY:2011 TC:3 AU: Girardot, C.;Pignard, S.;Weiss, F.;Kreisel, J.;
7:3:2:91 Determining ferroelectric polarity at the nanoscale
DOI:10.1063/1.3549300 JN:APPLIED PHYSICS LETTERS PY:2011 TC:7 AU: LeBeau, James M.;D'Alfonso, Adrian J.;Wright, Nicholas J.;Allen, Leslie J.;Stemmer, Susanne;
7:3:2:92 Charge ordering at the interface in (LaMnO3)(2n)/(SrMnO3)(n) superlattices as the origin of their insulating state
DOI:10.1063/1.4866271 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Pardo, Victor;Botana, Antia S.;Baldomir, Daniel;
7:3:2:93 Effect of strain on the local perovskite structure: La0.5Sr0.5CoO3
DOI:10.1063/1.3564934 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Woicik, J. C.;Xie, C. K.;Wells, B. O.;
7:3:2:94 Microstructure and transport properties of sol-gel derived highly (100)-oriented lanthanum nickel oxide thin films on SiO2/Si substrate
DOI:10.1016/j.jcrysgro.2011.09.050 JN:JOURNAL OF CRYSTAL GROWTH PY:2011 TC:5 AU: Zhu, M. W.;Wang, Z. J.;Chen, Y. N.;Zhang, Z. D.;
7:3:2:95 Structural and transport properties of epitaxial PrNiO3 thin films grown by molecular beam epitaxy
DOI:10.1016/j.jcrysgro.2012.12.018 JN:JOURNAL OF CRYSTAL GROWTH PY:2013 TC:2 AU: Feigl, L.;Schultz, B. D.;Ohya, S.;Ouellette, D. G.;Kozhanov, A.;Palmstrom, C. J.;
7:3:2:96 High pressure synthesis of SmNiO3 thin films and implications for thermodynamics of the nickelates
DOI:10.1039/c3tc00844d JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2013 TC:8 AU: Jaramillo, R.;Schoofs, Frank;Ha, Sieu D.;Ramanathan, Shriram;
7:3:2:97 Direct Observation of Charge Order in Triangular Metallic AgNiO2 by Single-Crystal Resonant X-Ray Scattering
DOI:10.1103/PhysRevLett.106.157206 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:6 AU: Pascut, G. L.;Coldea, R.;Radaelli, P. G.;Bombardi, A.;Beutier, G.;Mazin, I. I.;Johannes, M. D.;Jansen, M.;
7:3:2:98 Mass enhancement versus Stoner enhancement in strongly correlated metallic perovskites: LaNiO3 and LaCuO3
DOI:10.1103/PhysRevB.89.245138 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Zhou, J. -S.;Marshall, L. G.;Goodenough, J. B.;
7:3:2:99 Strain dependent stabilization of metallic paramagnetic state in epitaxial NdNiO3 thin films
DOI:10.1063/1.4754593 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Kumar, Yogesh;Choudhary, R. J.;Sharma, S. K.;Knobel, M.;Kumar, Ravi;
7:3:2:100 Bandwidth-controlled metal-insulator transition in epitaxial PrNiO3 ultrathin films induced by dimensional crossover
DOI:10.1063/1.4874980 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Sakai, Enju;Yoshimatsu, Kohei;Tamamitsu, Masatomo;Horiba, Koji;Fujimori, Atsushi;Oshima, Masaharu;Kumigashira, Hiroshi;
7:3:2:101 Dynamical Mean-Field Theory of Nickelate Superlattices
DOI:10.1103/PhysRevLett.110.179904 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:3 AU: Han, M. J.;Wang, Xin;Marianetti, C. A.;Millis, A. J.;
7:3:2:102 Spin-canted magnetism and decoupling of charge and spin ordering in NdNiO3
DOI:10.1103/PhysRevB.88.014410 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Kumar, Devendra;Rajeev, K. P.;Alonso, J. A.;Martinez-Lope, M. J.;
7:3:2:103 Controlling the sharpness of room-temperature metal-insulator transition in epitaxial Sm0.5Nd0.5NiO3 films
DOI:10.1063/1.4812716 JN:AIP ADVANCES PY:2013 TC:3 AU: Lian, X. K.;Chen, F.;Tan, X. L.;Wang, L. F.;Xuan, X. F.;Gao, G. Y.;Jin, S. W.;Wu, W. B.;
7:3:2:104 Metal-insulator transition upon heating and negative-differential-resistive-switching induced by self-heating in BaCo0.9Ni0.1S1.8
DOI:10.1063/1.4871806 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Fisher, B.;Genossar, J.;Chashka, K. B.;Patlagan, L.;Reisner, G. M.;
7:3:2:105 Strain controlled systematic variation of metal-insulator transition in epitaxial NdNiO3 thin films
DOI:10.1063/1.4758306 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Kumar, Yogesh;Choudhary, R. J.;Kumar, Ravi;
7:3:2:106 Orbital reflectometry of oxide heterostructures
DOI:10.1038/NMAT2958 JN:NATURE MATERIALS PY:2011 TC:77 AU: Benckiser, Eva;Haverkort, Maurits W.;Brueck, Sebastian;Goering, Eberhard;Macke, Sebastian;Frano, Alex;Yang, Xiaoping;Andersen, Ole K.;Cristiani, Georg;Habermeier, Hanns-Ulrich;Boris, Alexander V.;Zegkinoglou, Ioannis;Wochner, Peter;Kim, Heon-Jung;Hinkov, Vladimir;Keimer, Bernhard;
7:3:2:107 Exchange bias in LaNiO3-LaMnO3 superlattices
DOI:10.1038/NMAT3224 JN:NATURE MATERIALS PY:2012 TC:91 AU: Gibert, Marta;Zubko, Pavlo;Scherwitzl, Raoul;Iniguez, Jorge;Triscone, Jean-Marc;
7:3:2:108 Stability of Ni sites across the pressure-induced insulator-to-metal transition in YNiO3
DOI:10.1103/PhysRevB.85.045102 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Ramos, Aline Y.;Piamonteze, Cinthia;Tolentino, Helio C. N.;Souza-Neto, Narcizo M.;Bunau, Oana;Joly, Yves;Grenier, Stephane;Itie, Jean-Paul;Massa, Nestor E.;Alonso, Jose A.;Martinez-Lope, Maria J.;
7:3:2:109 Charge disproportionation in RNiO3 (R = Tm, Yb) perovskites observed in situ by neutron diffraction and Fe-57 probe Mossbauer spectroscopy
DOI:10.1103/PhysRevB.87.184111 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Alonso, J. A.;Martinez-Lope, M. J.;Presniakov, I. A.;Sobolev, A. V.;Rusakov, V. S.;Gapochka, A. M.;Demazeau, G.;Fernandez-Diaz, M. T.;
7:3:2:110 Irradiation induced modification in transport properties of LaNiO3 thin films: An x-ray absorption study
DOI:10.1063/1.4752005 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Kumar, Yogesh;Singh, Abhinav Pratap;Sharma, S. K.;Choudhary, R. J.;Thakur, P.;Knobel, M.;Brookes, N. B.;Kumar, Ravi;
7:3:2:111 Confinement-induced metal-to-insulator transition in strained LaNiO3/LaAlO3 superlattices (vol 84, 195450, 2011)
DOI:10.1103/PhysRevB.84.239902 JN:PHYSICAL REVIEW B PY:2011 TC:0 AU: Blanca-Romero, Ariadna;Pentcheva, Rossitza;
7:3:2:112 Unusual temperature dependence of the spectral weight near the Fermi level of NdNiO3 thin films
DOI:10.1103/PhysRevB.86.195147 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;Phonon softening and dispersion in EuTiO3;PHYSICAL REVIEW B;86;22;220301;10.1103/PhysRevB.86.220301;DEC 4 2012;2012;We measured phonon dispersion in single-crystal EuTiO3 using inelastic;x-ray scattering. Astructural transition to an antiferrodistortive phase;was found at a critical temperature T-0 = 287 +/- 1K using powder and;single-crystal x-ray diffraction. Clear softening of the zone boundary;R-point q = (0.5 0.5 0.5) acoustic phonon shows this to be a displacive;transition. The mode energy plotted against reduced temperature could be;seen to nearly overlap that of SrTiO3, suggesting a universal scaling;relation. Phonon dispersion was measured along Gamma-X (0 0 0) -> (0.5 0;0). Mode eigenvectors were obtained from a shell model consistent with;the q dependence of intensity and energy, which also showed that the;dispersion is nominally the same as in SrTiO3 at room temperature, but;corrected for mass. The lowest-energy optical mode, determined to be of;Slater character, softens approximately linearly with temperature until;the 70-100 K range where the softening stops, and at low temperature,;the mode disperses linearly near the zone center.;7;0;0;0;7;1098-0121;WOS:000311910600001;;;J;Fock, J.;Leijnse, M.;Jennum, K.;Zyazin, A. S.;Paaske, J.;Hedegard, P.;Nielsen, M. Brondsted;van der Zant, H. S. J.;Manipulation of organic polyradicals in a single-molecule transistor;PHYSICAL REVIEW B;86;23;235403;10.1103/PhysRevB.86.235403;DEC 4 2012;2012;Inspired by cotunneling spectroscopy of spin-states in a single;OPE5-based molecule, we investigate the prospects for electric control;of magnetism in purely organic molecules contacted in a three-terminal;geometry. Using the gate electrode, the molecule is reversibly switched;between three different redox states, with magnetic spectra revealing;both ferromagnetic and antiferromagnetic exchange couplings on the;molecule. These observations are shown to be captured by an effective;low-energy Heisenberg model, which we substantiate microscopically by a;simple valence bond description of the molecule. These preliminary;findings suggest an interesting route towards functionalized all-organic;molecular magnetism.;Fock, Jeppe/A-9074-2011;Fock, Jeppe/0000-0002-7515-4026;3;0;0;0;3;1098-0121;WOS:000311911100003;;;J;Li, P. H. Y.;Bishop, R. F.;Campbell, C. E.;Farnell, D. J. J.;Goetze, O.;Richter, J.;Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice;PHYSICAL REVIEW B;86;21;214403;10.1103/PhysRevB.86.214403;DEC 4 2012;2012;We use the coupled-cluster method to study the zero-temperature;properties of an extended two-dimensional Heisenberg antiferromagnet;formed from spin-1/2 moments on an infinite spatially anisotropic kagome;lattice of corner-sharing isosceles triangles, with nearest-neighbor;bonds only. The bonds have exchange constants J(1) > 0 along two of the;three lattice directions and J(2) = kappa J(1) > 0 along the third. In;the classical limit, the ground-state (GS) phase for kappa < 1/2 has;collinear ferrimagnetic (Neel') order where the J(2)-coupled chain spins;are ferromagnetically ordered in one direction with the remaining spins;aligned in the opposite direction, while for kappa > 1/2 there exists an;infinite GS family of canted ferrimagnetic spin states, which are;energetically degenerate. For the spin-1/2 case, we find that quantum;analogs of both these classical states continue to exist as stable GS;phases in some regions of the anisotropy parameter kappa, namely, for 0;< kappa < kappa(c1) for the Neel' state and for (at least part of) the;region kappa > kappa(c2) for the canted phase. However, they are now;separated by a paramagnetic phase without either sort of magnetic order;in the region kappa(c1) < kappa < kappa(c2), which includes the;isotropic kagome point kappa = 1 where the stable GS phase is now;believed to be a topological (Z(2)) spin liquid. Our best numerical;estimates are kappa(c1) = 0.515 +/- 0.015 and kappa(c2) = 1.82 +/- 0.03.;Richter, Johannes/A-6339-2009; Bishop, Raymond/D-9715-2012;Bishop, Raymond/0000-0001-5565-0658;4;0;0;0;4;1098-0121;WOS:000311910100002;;;J;Monozon, B. S.;Schmelcher, P.;Bound and resonant impurity states in a narrow gapped armchair graphene;nanoribbon;PHYSICAL REVIEW B;86;24;245404;10.1103/PhysRevB.86.245404;DEC 4 2012;2012;An analytical study of discrete and resonant impurity quasi-Coulomb;states in a narrow gapped armchair graphene nanoribbon (GNR) is;performed. We employ the adiabatic approximation assuming that the;motions parallel ("slow") and perpendicular ("fast") to the boundaries;of the ribbon are separated adiabatically. The energy spectrum comprises;a sequence of series of quasi-Rydberg levels relevant to the slow motion;adjacent from the low energies to the size-quantized levels associated;with the fast motion. Only the series attributed to the ground;size-quantized subband is really discrete, while others corresponding to;the excited subbands consist of quasidiscrete (Fano resonant) levels of;nonzero energetic widths, caused by the coupling with the states of the;continuous spectrum branching from the low lying subbands. In the;two-and three-subband approximation the spectrum of the complex energies;of the impurity electron is derived in an explicit form. Narrowing the;GNR leads to an increase of the binding energy and the resonant width;both induced by the finite width of the ribbon. Displacing the impurity;center from the midpoint of the GNR causes the binding energy to;decrease, while the resonant width of the first excited Rydberg series;increases. As for the second excited series, their widths become;narrower with the shift of the impurity. A successful comparison of our;analytical results with those obtained by other theoretical and;experimental methods is presented. Estimates of the binding energies and;the resonant widths taken for the parameters of typical GNRs show that;not only the strictly discrete but also some resonant states are quite;stable and could be studied experimentally in doped GNRs.;Monozon, Boris/E-6412-2012; Schmelcher, Peter/D-9592-2014;Schmelcher, Peter/0000-0002-2637-0937;0;0;0;0;0;1098-0121;WOS:000311911900002;;;J;Thiaville, Andre;Vukadinovic, Nicolas;Acher, Olivier;Sum rule for the magnetic permeability of arbitrary textures;PHYSICAL REVIEW B;86;21;214404;10.1103/PhysRevB.86.214404;DEC 4 2012;2012;The f-sum rule for the magnetic permeability, derived previously for an;assembly of isolated macrospins, is generalized for an arbitrary;nonuniform three-dimensional magnetization texture, in which the;magnetizations at different points are coupled by exchange and;magnetostatic interactions. The sum value depends only on the magnetic;texture at rest. It has no direct contribution from the exchange energy,;but depends on the anisotropy, applied field, and demagnetizing;energies. The derived formula is tested against numerical calculations;for several complex and very different magnetization structures. This;generalized sum rule should be useful for experiments, numerical;simulations, and metrology.;1;0;0;0;1;1098-0121;WOS:000311910100003;;;J;Troc, R.;Gajek, Z.;Pikul, A.;Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as;seen in magnetic, transport, and specific-heat data;PHYSICAL REVIEW B;86;22;224403;10.1103/PhysRevB.86.224403;DEC 4 2012;2012;Single-crystalline UGe2 was investigated by means of magnetic;susceptibility, magnetization, electrical resistivity,;magnetoresistivity, and specific-heat measurements, all carried out in;wide temperature and magnetic-field ranges. An analysis of the obtained;data points out the dual behavior of the 5f electrons in this compound,;i. e., possessing simultaneously local and itinerant characters in two;substates. The magnetic and thermal characteristics of the compound were;modeled using the effective crystal field (CF) in the intermediate;coupling scheme and initial parameters obtained in the angular overlap;model. Various configurations of the localized 5f(n) (n = 1, 2, and 3);electrons on the uranium ion have been probed. The best results were;obtained for the 5f(2) (U4+) configuration. The CF parameters obtained;in the paramagnetic region allowed us to reproduce satisfactorily the;experimental findings in the whole temperature range including also the;magnitude of the ordered magnetic moment of uranium at low temperature.;The electrical resistivity data after subtraction of the phonon;contribution reveal the presence of a Kondo-like interaction in UGe2;supporting the idea of partial localization of the 5f electrons in UGe2.;On the other hand, magnetoresistivity and an excess of specific heat;originated from the hybridized (itinerant) part of 5f states, apparent;around the characteristic temperature T*, give a distinct signature for;the presence of the coupled charge-density wave and spin-density wave;fluctuations over all the ferromagnetic region with a maximum at T*,;postulated earlier in the literature.;7;0;0;0;7;1098-0121;WOS:000311910600004;;;J;Williams, T. J.;Yamani, Z.;Butch, N. P.;Luke, G. M.;Maple, M. B.;Buyers, W. J. L.;Neutron scattering study of URu2-xRexSi2 (x=0.10): Driving order towards;quantum criticality;PHYSICAL REVIEW B;86;23;235104;10.1103/PhysRevB.86.235104;DEC 4 2012;2012;We report inelastic neutron scattering measurements in the hidden order;state of URu2-xRexSi2 with x = 0.10. We observe that towards the;ferromagnetic quantum critical point induced by the negative chemical;pressure of Re doping, the gapped incommensurate fluctuations are robust;and comparable in intensity to the parent material. As the Re doping;moves the system toward the quantum critical point, the commensurate;spin fluctuations related to hidden order weaken, display a shortened;lifetime, and slow down. Halfway to the quantum critical point, the;hidden order phase survives, albeit weakened, in contrast to its;destruction by hydrostatic pressure and by positive chemical pressure;from Rh doping.;yamani, zahra/B-7892-2012; Luke, Graeme/A-9094-2010;0;0;0;0;0;1098-0121;WOS:000311911100001;;;J;Wolfowicz, Gary;Simmons, Stephanie;Tyryshkin, Alexei M.;George, Richard E.;Riemann, Helge;Abrosimov, Nikolai V.;Becker, Peter;Pohl, Hans-Joachim;Lyon, Stephen A.;Thewalt, Mike L. W.;Morton, John J. L.;Decoherence mechanisms of Bi-209 donor electron spins in isotopically;pure Si-28;PHYSICAL REVIEW B;86;24;245301;10.1103/PhysRevB.86.245301;DEC 4 2012;2012;Bismuth (Bi-209) is the deepest group V donor in silicon and possesses;the most extreme characteristics such as a 9/2 nuclear spin and a 1.5;GHz hyperfine coupling. These lead to several potential advantages for a;Si:Bi donor electron spin qubit compared to the more common phosphorus;donor. Most previous studies on Si: Bi have been performed using natural;silicon where linewidths and electron spin coherence times are limited;by the presence of Si-29 impurities. Here, we describe electron spin;resonance (ESR) and electron nuclear double resonance (ENDOR) studies on;Bi-209 in isotopically pure Si-28. ESR and ENDOR linewidths, transition;probabilities, and coherence times are understood in terms of the spin;Hamiltonian parameters showing a dependence on field and m(I) of the;Bi-209 nuclear spin. We explore various decoherence mechanisms;applicable to the donor electron spin, measuring coherence times up to;700 ms at 1.7 K at X band, comparable with Si-28:P. Importantly, the;coherence times we measure follow closely to the calculated field;gradients of the transition frequencies (df/dB), providing a strong;motivation to explore "clock" transitions where coherence lifetimes;could be further enhanced.;Morton, John/I-3515-2013;6;1;0;0;6;1098-0121;WOS:000311911900001;;;J;Armbruster, Oskar;Lungenschmied, Christoph;Bauer, Siegfried;Investigation of trap states and mobility in organic semiconductor;devices by dielectric spectroscopy: Oxygen-doped P3HT:PCBM solar cells;PHYSICAL REVIEW B;86;23;235201;10.1103/PhysRevB.86.235201;DEC 3 2012;2012;We investigate the dielectric response of solar cell devices based on;oxygen-doped poly(3-hexylthiophene):[6,6]-phenyl-C-61-butyric acid;methyl ester (P3HT:PCBM) blends as a function of temperature between 133;K and 303 K. The spectra are analyzed using a recently introduced model;[O. Armbruster, C. Lungenschmied, and S. Bauer, Phys. Rev. B 84, 085208;(2011)] which is based on a trapping and reemission mechanism of charge;carriers. A dominating trap depth of 130 meV is determined and the;broadening of this trap level identified as purely thermal. In addition;we estimate the density of charge carriers after doping as well as their;mobility. We show that the concentration of mobile holes approximately;doubles by heating the device from the lowest to the highest measured;temperature. This is indicative of a second, shallow trap level of;approximately 14 meV. Dielectric spectroscopy hence proves to be a;valuable tool to assess device parameters such as dopant concentration,;charge carrier transport characteristics, and mobility which are of;crucial interest for understanding degradation in organic semiconductor;devices.;Bauer, Siegfried/A-2354-2009; Armbruster, Oskar/G-1154-2014;Armbruster, Oskar/0000-0002-4235-4451;3;0;0;0;3;1098-0121;WOS:000311806300004;;;J;Chen, Bo;Abbey, Brian;Dilanian, Ruben;Balaur, Eugeniu;van Riessen, Grant;Junker, Mark;Tran, Chanh Q.;Jones, Michael W. M.;Peele, Andrew G.;McNulty, Ian;Vine, David J.;Putkunz, Corey T.;Quiney, Harry M.;Nugent, Keith A.;Diffraction imaging: The limits of partial coherence;PHYSICAL REVIEW B;86;23;235401;10.1103/PhysRevB.86.235401;DEC 3 2012;2012;Coherent diffraction imaging (CDI) typically requires that the source;should be highly coherent both laterally and longitudinally. In this;paper, we demonstrate that lateral and longitudinal partial coherence;can be successfully included in a CDI reconstruction algorithm;simultaneously using experimental x-ray data. We study the interplay;between lateral partial coherence and longitudinal partial coherence and;their relative influence on CDI. We compare our results against the;coherence criteria published by Spence et al. [Spence et al.,;Ultramicroscopy 101, 149 (2004)] and show that for iterative ab initio;phase-recovery algorithms based on those typically used in CDI and in;cases where the coherence properties are known, we are able to relax the;minimal coherence requirements by a factor of 2 both laterally and;longitudinally, potentially yielding significant reduction in exposure;time.;Jones, Michael/M-6895-2013; Abbey, Brian/D-3274-2011;Jones, Michael/0000-0002-0720-8715;;5;1;0;0;5;1098-0121;WOS:000311806300008;;;J;Gawarecki, Krzysztof;Lueker, Sebastian;Reiter, Doris E.;Kuhn, Tilmann;Glaessl, Martin;Axt, Vollrath Martin;Grodecka-Grad, Anna;Machnikowski, Pawel;Dephasing in the adiabatic rapid passage in quantum dots: Role of;phonon-assisted biexciton generation;PHYSICAL REVIEW B;86;23;235301;10.1103/PhysRevB.86.235301;DEC 3 2012;2012;We study the evolution of an exciton confined in a quantum dot;adiabatically controlled by a frequency-swept (chirped) laser pulse in;the presence of carrier-phonon coupling. We focus on the dynamics;induced by a linearly polarized beam and analyze the decoherence due to;phonon-assisted biexciton generation. We show that if the biexciton;state is shifted down by a few meV, as is typically the case, then the;resulting decoherence is strong even at low temperatures. As a result,;efficient state preparation is restricted to a small parameter area;corresponding to low temperatures, positive chirps, and moderate pulse;areas.;Kuhn, Tilmann/C-1190-2008;6;0;0;0;6;1098-0121;WOS:000311806300006;;;J;Hellstrom, Matti;Spangberg, Daniel;Hermansson, Kersti;Broqvist, Peter;Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface;PHYSICAL REVIEW B;86;23;235302;10.1103/PhysRevB.86.235302;DEC 3 2012;2012;The formation of Cu dimers on the ZnO(10 (1) over bar0) surface has been;studied using hybrid density functional theory. Depending on the;adsorption site, Cu atoms are found to adsorb with either oxidation;state 0 or +1. In the latter case, the Cu atom has donated an electron;to the ZnO conduction band. The two modes of adsorption display similar;stability at low coverages, while at higher coverages the neutral;species is more stable. Single Cu atoms diffuse across the ZnO(10 (1);over bar0) surface with small barriers of migration (0.3-0.4 eV) along;ZnO[1 (2) over bar 10], repeatedly switching their oxidation states,;while the barrier along ZnO[0001] is significantly higher (>1.5 eV). The;formation of a Cu dimer from two adsorbed Cu atoms is energetically;favorable with two competing structures of similar stability, both being;charge neutral. The minimum energy paths for Cu atom diffusion and dimer;formation are characterized by at least one of the two Cu atoms being in;oxidation state 0.;5;0;0;0;5;1098-0121;WOS:000311806300007;;;J;Huang, Yu-Kun;Chen, Pochung;Kao, Ying-Jer;Accurate computation of low-temperature thermodynamics for quantum spin;chains;PHYSICAL REVIEW B;86;23;235102;10.1103/PhysRevB.86.235102;DEC 3 2012;2012;We apply the biorthonormal transfer-matrix renormalization group (BTMRG);[Huang, Phys. Rev. E 83, 036702 (2011)] to study low-temperature;properties of quantum spin chains. Simulations on anisotropic Heisenberg;spin-1/2 chains demonstrate that the BTMRG outperforms the conventional;transfer-matrix renormalization group by successfully accessing far;lower temperature than previously reported, while retaining the same;level of accuracy. The power of the method is further illustrated by the;calculation of the low-temperature specific heat for a frustrated spin;chain.;Kao, Ying Jer/B-5297-2009; Chen, Pochung/G-1241-2010;Kao, Ying Jer/0000-0002-3329-6018;;4;0;0;0;4;1098-0121;WOS:000311806300002;;;J;Kim, Jin Hee;Rhyee, Jong-Soo;Kwon, Yong Seung;Magnon gap formation and charge density wave effect on thermoelectric;properties in the SmNiC2 compound;PHYSICAL REVIEW B;86;23;235101;10.1103/PhysRevB.86.235101;DEC 3 2012;2012;We studied the electrical, thermal, and thermoelectric properties of the;polycrystalline compound of SmNiC2. The electrical resistivity and;magnetization measurement show the interplay between the charge density;wave at T-CDW = 150 K and the ferromagnetic ordering of T-c = 18 K.;Below the ferromagnetic transition temperature, we observed the magnon;gap formation of Delta similar or equal to 4.3- 4.4 meV by rho(T) and;C-p (T) measurements. The charge density wave is attributed to the;increase of the Seebeck coefficient resulting in the increase of the;power factor S-2 sigma. The thermal conductivity anomalously increases;with increasing temperature along the whole measured temperature range,;which implies the weak attribution of Umklapp phonon scattering. The;thermoelectric figure of merit ZT significantly increases due to the;increase of the power factor at T-CDW = 150 K. Here we argue that the;competing interaction between electron-phonon and electron-magnon;couplings exhibits the unconventional behavior of electrical and thermal;properties.;6;0;1;0;6;1098-0121;WOS:000311806300001;;;J;Osorio-Guillen, J. M.;Larrauri-Pizarro, Y. D.;Dalpian, G. M.;Pressure-induced metal-insulator transition and absence of magnetic;order in FeGa3 from a first-principles study;PHYSICAL REVIEW B;86;23;235202;10.1103/PhysRevB.86.235202;DEC 3 2012;2012;The intermetallic compound FeGa3 is a narrow-gap semiconductor with a;measured gap between 0.2 and 0.6 eV. The presence of iron d states on;the top of the valence band and on the bottom of the conduction band,;together with its moderate electronic correlation (U/W similar to 0.6),;have led to the question of whether there is magnetic order in this;compound. We have examined the possible presence of magnetism in FeGa3;as well as its electronic structure at high pressures, using the density;functional theory (DFT) + U method with the intermediated;double-counting scheme. We have found that for an optimized value of the;Yukawa screening length., there is no magnetic moment on the iron ions;(mu = 0), implying that FeGa3 is nonmagnetic. We have also found that;around a pressure of 25 GPa a metal-insulator transition takes place.;Osorio-Guillen, Jorge/B-7587-2008; Dalpian, Gustavo/B-9746-2008;Osorio-Guillen, Jorge/0000-0002-7384-8999;;3;0;0;0;3;1098-0121;WOS:000311806300005;;;J;Yuan, Xun;Zhang, Yubo;Abtew, Tesfaye A.;Zhang, Peihong;Zhang, Wenqing;VO2: Orbital competition, magnetism, and phase stability;PHYSICAL REVIEW B;86;23;235103;10.1103/PhysRevB.86.235103;DEC 3 2012;2012;The relative phase stability of VO2 is one of the most fundamental;issues concerning the metal-insulator transition in this material but;has been so far largely unexplored theoretically. We investigate the;relative stability of various phases of VO2 using different levels of;energy functionals within density functional theory (DFT). It is found;that straightforward applications of several popular energy functionals,;including the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, result in;a wrong prediction for the ground state of VO2. In particular, although;the HSE and DFT + U methods are able to produce a band gap in the M-1;phase, they strongly favor the formation of local magnetic moments, a;result that clearly disagrees with experiments. We also examine the;effect of the occupation and the redistribution of the d derived t(2g);(i.e., d(xz), d(yz), and d(x2-y2)) orbitals of V atoms on the calculated;relative phase stability of VO2. We find that a small change in d;occupation can result in a drastically different theoretical prediction.;With the introduction of an orbital-dependent potential, a complete;separation between the d(x2-y2) derived valence band and d(xz) and d(yz);derived conduction bands in the M-1 phase is achieved, resulting in a;slight redistribution of the d occupation and a more faithful account of;the polarization of the t(2g) orbitals. This slight rearrangement of the;d occupation also leads to a relative phase stability of VO2 ( including;structural and magnetic phases) that agrees well with experiment.;Zhang, Wenqing/K-1236-2012; Zhang, Peihong/D-2787-2012;4;0;0;0;4;1098-0121;WOS:000311806300003;;;J;Campi, Davide;Bernasconi, Marco;Benedek, Giorgio;Electronic properties and lattice dynamics of the As(111) surface;PHYSICAL REVIEW B;86;24;245403;10.1103/PhysRevB.86.245403;DEC 3 2012;2012;The bulk and surface electronic and structural properties of As(111);have been studied with first-principles methods. The inclusion of;spin-orbit interaction reveals that As shares the same topologically;nontrivial order of the bulk electronic bands of Sb which gives rise to;two spin-polarized surface states connecting valence-like and;conduction-like states. Bulk and surface phonons have been calculated by;means of density functional perturbation theory. The surface phonon;bands reveal features related to a remarkable stiffening of the surface;bilayer with respect to the bulk ones similarly to what is measured for;the Bi(111) and to what is expected for the Sb(111) surface.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000311806500003;;;J;Chakraborty, Akash;Wenk, Paul;Bouzerar, Richard;Bouzerar, Georges;Spontaneous magnetization in the presence of nanoscale inhomogeneities;in diluted magnetic systems;PHYSICAL REVIEW B;86;21;214402;10.1103/PhysRevB.86.214402;DEC 3 2012;2012;The presence of nanoscale inhomogeneities has been experimentally;evidenced in several diluted magnetic systems, which in turn often leads;to interesting physical phenomena. However, a proper theoretical;understanding of the underlying physics is lacking in most of the cases.;Here, we present a detailed and comprehensive theoretical study of the;effects of nanoscale inhomogeneities on the temperature-dependent;spontaneous magnetization in diluted magnetic systems, which is found to;exhibit an unusual and unconventional behavior. The effects of impurity;clustering on the magnetization response have hardly been studied until;now. We show that nanosized clusters of magnetic impurities can lead to;drastic effects on the magnetization compared to that of homogeneously;diluted compounds. The anomalous nature of the magnetization curves;strongly depends on the relative concentration of the inhomogeneities as;well as the effective range of the exchange interactions. In addition,;we also provide a systematic discussion of the nature of the;distributions of the local magnetizations.;3;0;0;0;3;1098-0121;WOS:000311805500004;;;J;Dmitriev, A. P.;Gornyi, I. V.;Polyakov, D. G.;Coulomb drag between ballistic quantum wires;PHYSICAL REVIEW B;86;24;245402;10.1103/PhysRevB.86.245402;DEC 3 2012;2012;We develop a kinetic equation description of Coulomb drag between;ballistic one-dimensional electron systems, which enables us to;demonstrate that equilibration processes between right- and left-moving;electrons are crucially important for establishing dc drag. In;one-dimensional geometry, this type of equilibration requires either;backscattering near the Fermi level or scattering with small-momentum;transfer near the bottom of the electron spectrum. Importantly, pairwise;forward scattering in the vicinity of the Fermi surface alone is not;sufficient to produce a nonzero dc drag resistivity rho(D), in contrast;to a number of works that have studied Coulomb drag due to this;mechanism of scattering before. We show that slow equilibration between;two subsystems of electrons of opposite chirality, "bottlenecked" by;inelastic collisions involving cold electrons near the bottom of the;conduction band, leads to a strong suppression of Coulomb drag, which;results in an activation dependence of rho(D) on temperature, instead of;the conventional power law. We demonstrate the emergence of a drag;regime in which rho(D) does not depend on the strength of interwire;interactions, while depending strongly on the strength of interactions;inside the wires.;4;0;0;0;4;1098-0121;WOS:000311806500002;;;J;Etz, Corina;Costa, Marcio;Eriksson, Olle;Bergman, Anders;Accelerating the switching of magnetic nanoclusters by anisotropy-driven;magnetization dynamics;PHYSICAL REVIEW B;86;22;224401;10.1103/PhysRevB.86.224401;DEC 3 2012;2012;In this work, the magnetization dynamics of clusters supported on;nonmagnetic substrates is shown to exhibit a complex response when;subjected to external magnetic fields. The field-driven magnetization;reversal of small Co clusters deposited on a Cu(111) surface has been;studied by means of first-principles calculations and atomistic spin;dynamics simulations. For applied fields ranging from 1 to 10 Tesla, we;observe a coherent magnetization reversal with switching times in the;range of several tenths of picoseconds to several nanoseconds, depending;on the field strength. We find a nonmonotonous dependence of the;switching times with respect to the strength of the applied field, which;we prove has its origin in the complex magnetic anisotropy landscape of;these low-dimensional systems. This effect is shown to be stable for;temperatures around 10 K, and is possible to realize over a range of;exchange interactions and anisotropy landscapes. Possible experimental;routes to achieve this unique switching behavior are discussed.;Bergman, Anders/H-7996-2012; Etz, Corina/E-3112-2014; Eriksson, Olle/E-3265-2014;Bergman, Anders/0000-0002-5134-1978;;3;1;0;0;3;1098-0121;WOS:000311805700003;;;J;Harada, S.;Zhou, J. J.;Yao, Y. G.;Inada, Y.;Zheng, Guo-qing;Abrupt enhancement of noncentrosymmetry and appearance of a spin-triplet;superconducting state in Li-2(Pd1-xPtx)(3)B beyond x=0.8;PHYSICAL REVIEW B;86;22;220502;10.1103/PhysRevB.86.220502;DEC 3 2012;2012;We report synthesis, Pt-195, B-11, and Li-7 NMR measurements, and;first-principles band calculations for noncentrosymmetric;superconductors Li-2(Pd1-xPtx)(3)B (x = 0, 0.2, 0.5, 0.8, 0.84, 0.9, and;1). For 0 <= x <= 0.8, the spin-lattice relaxation rate 1/T-1 shows a;clear coherence peak just below T-c, decreasing exponentially at low;temperature, and the Knight shift K-195 decreases below Tc. For x = 0.9;and 1.0, in contrast, 1/T-1 shows no coherence peak but a T-3 variation;and K-195 remains unchanged across T-c. These results indicate that the;superconducting state changes drastically from a spin-singlet dominant;to a spin-triplet dominant state at x = 0.8. We find that the distortion;of B(Pt,Pd)(6) increases abruptly above x = 0.8, which leads to an;abrupt enhancement of the asymmetric spin-orbit coupling as confirmed by;band calculation. Such structure distortion that enhances the extent of;inversion-symmetry breaking is primarily responsible for the pairing;symmetry evolution. The insight obtained here provides a guideline for;searching for noncentrosymmetric superconductors with a large;spin-triplet component.;Yao, Yugui/A-8411-2012; Zheng, Guo-qing/B-1524-2011;6;0;0;0;6;1098-0121;WOS:000311805700002;;;J;Huang, C. L.;Fritsch, V.;Kittler, W.;v. Loehneysen, H.;Low-temperature properties of CeAu2Ge2 single crystals grown from Au-Ge;and Sn flux;PHYSICAL REVIEW B;86;21;214401;10.1103/PhysRevB.86.214401;DEC 3 2012;2012;The specific heat of CeAu2Ge2 single crystals grown from Au-Ge (AGF) or;Sn flux (SF) was measured at temperatures T between 1.8 and 200 K. Two;magnetic transitions are observed in the zero-field specific heat at;12.1 and 14.5 K in the AGF sample, while only a single sharp transition;at 9.2 K is seen in the SF sample, confirming our recent susceptibility;results [Fritsch et al., Phys. Rev. B 84, 104446 (2011)]. We observe;several field-induced transitions in the magnetoresistance of the AGF;sample measured at 1.6 and 2.3 K in accordance with the B-T phase;diagram constructed from isothermal magnetization curves M(B). In;addition, we have measured M(B) under hydrostatic pressure P up to 10.5;kbar. The Neel temperature T-N increases linearly with P at a small rate;of 0.049 K/kbar, which suggests that, if T-N(P) is attributed to a pure;volume effect, this compound is close to the maximum transition;temperature of the Doniach diagram. The transition fields B-M between;the field-induced phases increase linearly with P as well. The;comparable Gruneisen parameters of T-N and B-M indicate that the energy;scale depending on the sample's volume is given by the antiferromagnetic;correlations and not by the Kondo effect. We discuss possible reasons;for the different magnetic behavior of AGF and SF samples.;Huang, Chien-Lung/O-2028-2013;2;0;0;0;2;1098-0121;WOS:000311805500003;;;J;Jadczak, J.;Kubisa, M.;Ryczko, K.;Bryja, L.;Potemski, M.;High magnetic field spin splitting of excitons in asymmetric GaAs;quantum wells;PHYSICAL REVIEW B;86;24;245401;10.1103/PhysRevB.86.245401;DEC 3 2012;2012;Low-temperature photoluminescence from high-quality GaAs quantum wells,;asymmetrically doped with carbon, are investigated under high magnetic;fields (up to 20 T) directed along the [001] growth axis. At higher;fields, in the sigma(-) polarized emission, we observe two well-resolved;lines which are attributed to the recombination of neutral (X) and;charged (X+) excitons. In contrast, only the neutral exciton line is;observed for the sigma(+) polarization. From the difference of the X;line positions for the two polarizations we determine the effective;Zeeman splitting of neutral excitons and then the g factor g(h) of;confined holes. We find that g(h) depends substantially on the well size;and changes the sign at moderate magnetic fields. To explain the;experimental results, the valence Landau levels are calculated using the;Luttinger model beyond the axial approximation. We demonstrate that;mainly the excited hole levels contribute to the excitonic state at;higher magnetic fields. Due to their light-hole character, resulting;from the valence-band mixing, the excited hole states have a sizable;overlap with the electron states confined far from the doped barrier.;The calculated values of g(h) are in an excellent quantitative agreement;with the experimental data.;2;0;0;0;2;1098-0121;WOS:000311806500001;;;J;Lane, Nina J.;Vogel, Sven C.;Hug, Gilles;Togo, Atsushi;Chaput, Laurent;Hultman, Lars;Barsoum, Michel W.;Neutron diffraction measurements and first-principles study of thermal;motion of atoms in select M(n+1)AX(n) and binary MX transition-metal;carbide phases;PHYSICAL REVIEW B;86;21;214301;10.1103/PhysRevB.86.214301;DEC 3 2012;2012;Herein, we compare the thermal vibrations of atoms in select ternary;carbides with the formula M(n+1)AX(n) ("MAX phases," M = Ti, Cr; A = Al,;Si, Ge; X = C, N) as determined from first-principles phonon;calculations to those obtained from high-temperature neutron powder;diffraction studies. The transition metal carbides TiC, TaC, and WC are;also studied to test our methodology on simpler carbides. Good;qualitative and quantitative agreement is found between predicted and;experimental values for the binary carbides. For all the MAX phases;studied-Ti3SiC2, Ti3GeC2, Ti2AlN, Cr2GeC and Ti4AlN3-density functional;theory calculations predict that the A element vibrates with the highest;amplitude and does so anisotropically with a higher amplitude within the;basal plane, which is in line with earlier results from high-temperature;neutron diffraction studies. In some cases, there are quantitative;differences in the absolute values between the theoretical and;experimental atomic displacement parameters (ADPs), such as reversal of;anisotropy or a systematic offset of temperature-dependent ADPs. The;mode-dependent Gruneisen parameters are also computed to explore the;anharmonicity in the system.;Lujan Center, LANL/G-4896-2012;4;0;0;0;4;1098-0121;WOS:000311805500002;;;J;Niemann, R.;Baro, J.;Heczko, O.;Schultz, L.;Faehler, S.;Vives, E.;Manosa, L.;Planes, A.;Tuning avalanche criticality: Acoustic emission during the martensitic;transformation of a compressed Ni-Mn-Ga single crystal;PHYSICAL REVIEW B;86;21;214101;10.1103/PhysRevB.86.214101;DEC 3 2012;2012;The propagation of a phase front during a thermally induced martensitic;transition is discontinuous due to pinning at various defects, an effect;which results in acoustic emission. Here we analyze the consequences of;an applied compressive stress exemplarily on a Ni50.4Mn27.9Ga21.7 single;crystal. Our experiments show that the distribution of the energies of;the acoustic emission events follows a power law for more than three;decades. This indicates that the transition exhibits avalanche;criticality. The exponent characterizing the distribution of energies;depends on the applied stress, and decreases from 1.9 +/- 0.1 at zero;stress to 1.5 +/- 0.2 at stress above 3 MPa. This decrease could be;attributed to the reduced multiplicity of variants possible under;uniaxial compression.;Niemann, Robert/F-3634-2012; Schultz, Ludwig/B-3383-2010; Manosa, Lluis/D-8579-2014; Heczko, Oleg/G-9355-2014; Vives, Eduard/I-4821-2014;Manosa, Lluis/0000-0002-1182-2670; Vives, Eduard/0000-0002-5916-7214;4;0;0;0;4;1098-0121;WOS:000311805500001;;;J;Usui, Hidetomo;Suzuki, Katsuhiro;Kuroki, Kazuhiko;Minimal electronic models for superconducting BiS2 layers;PHYSICAL REVIEW B;86;22;220501;10.1103/PhysRevB.86.220501;DEC 3 2012;2012;We construct minimal electronic models for a newly discovered;superconductor LaO1-xFxBiS2 (T-c = 10.6 K) possessing BiS2 layers based;on a first-principles band calculation. First, we obtain a model;consisting of two Bi 6p and two S 3p orbitals, which give nearly;electron-hole symmetric bands. Further focusing on the bands that;intersect the Fermi level, we obtain a model with two p orbitals. The;two bands (per BiS2 layer) have a quasi-one-dimensional character with a;double minimum dispersion, which gives good nesting of the Fermi;surface. At around x similar to 0.5 the topology of the Fermi surface;changes, so that the density of states at the Fermi level becomes large.;Possible pairing states are discussed.;42;0;0;0;42;1098-0121;WOS:000311805700001;;;J;Cammarata, Antonio;Rondinelli, James M.;Spin-assisted covalent bond mechanism in "charge-ordering" perovskite;oxides;PHYSICAL REVIEW B;86;19;195144;10.1103/PhysRevB.86.195144;NOV 30 2012;2012;First-principles density functional calculations on the metal-insulator;transition (MIT) in perovskite CaFeO3 point to local ferromagnetic;coupling as the microscopic origin for the electronic "charge order";transition. Our atomic, electronic, and magnetic structure analyses;reveal that the MIT results from a spin-assisted covalent bonding;mechanism between the O 2p and Fe 3d states with anisotropic Fe-O bonds;and negligible intersite Fe-Fe charge transfer. We suggest that control;of the lattice distortions, which mediate the covalent bond formation,;in oxides containing late transition-metal row cations in high valence;states provides a platform to tailor electronic transitions.;Rondinelli, James/A-2071-2009; Cammarata, Antonio/A-4883-2014;Rondinelli, James/0000-0003-0508-2175; Cammarata,;Antonio/0000-0002-5691-0682;7;0;0;0;7;1098-0121;WOS:000311715000003;;;J;Clem, John R.;Kogan, V. G.;Kinetic impedance and depairing in thin and narrow superconducting films;PHYSICAL REVIEW B;86;17;174521;10.1103/PhysRevB.86.174521;NOV 30 2012;2012;We use both Eilenberger-Usadel and Ginzburg-Landau (GL) theory to;calculate the superfluid's temperature-dependent kinetic inductance for;all currents up to the depairing current in thin and narrow;superconducting films. The calculations apply to BCS weak-coupling;superconductors with isotropic gaps and transport mean-free paths much;less than the BCS coherence length. The kinetic inductance is calculated;for the response to a small alternating current when the film is;carrying a dc bias current. In the slow-experiment/fast-relaxation;limit, in which the superconducting order parameter quasistatically;follows the time-dependent current, the kinetic inductance diverges as;the bias current approaches the depairing value. However, in the;fast-experiment/slow-relaxiation limit, in which the the superconducting;order parameter remains fixed at a value corresponding to the dc bias;current, the kinetic inductance rises to a finite value at the depairing;current. We then use time-dependent GL theory to calculate the kinetic;impedance of the superfluid, which includes not only the kinetic;reactance, but also the kinetic resistance of the superfluid arising;from dissipation due to order-parameter relaxation. The kinetic;resistance is largest for angular frequencies omega obeying omega tau(s);> 1, where tau(s) is the order-parameter relaxation time, and for bias;currents close to the depairing current. We also include the normal;fluid's contribution to dissipation in deriving an expression for the;total kinetic impedance. The Appendices contain many details about the;temperature-dependent behavior of superconductors carrying current up to;the depairing value.;3;0;0;0;3;1098-0121;WOS:000311714600005;;;J;Cohn, J. L.;Boynton, P.;Trivino, J. S.;Trastoy, J.;White, B. D.;dos Santos, C. A. M.;Neumeier, J. J.;Stoichiometry, structure, and transport in the quasi-one-dimensional;metal Li0.9Mo6O17;PHYSICAL REVIEW B;86;19;195143;10.1103/PhysRevB.86.195143;NOV 30 2012;2012;A correlation between lattice parameters, oxygen composition, and the;thermoelectric and Hall coefficients is presented for single-crystal;Li0.9Mo6O17, a quasi-one-dimensional (Q1D) metallic compound. The;possibility that this compound is a compensated metal is discussed in;light of a substantial variability observed in the literature for these;transport coefficients.;1;0;0;0;1;1098-0121;WOS:000311715000002;;;J;Crepaldi, A.;Ressel, B.;Cilento, F.;Zacchigna, M.;Grazioli, C.;Berger, H.;Bugnon, Ph.;Kern, K.;Grioni, M.;Parmigiani, F.;Ultrafast photodoping and effective Fermi-Dirac distribution of the;Dirac particles in Bi2Se3;PHYSICAL REVIEW B;86;20;205133;10.1103/PhysRevB.86.205133;NOV 30 2012;2012;We exploit time- and angle-resolved photoemission spectroscopy to;determine the evolution of the out-of-equilibrium electronic structure;of the topological insulator Bi2Se3. The response of the Fermi-Dirac;distribution to ultrashort IR laser pulses has been studied by modeling;the dynamics of hot electrons after optical excitation. We disentangle a;large increase in the effective temperature (T*) from a shift of the;chemical potential (mu*), which is consequence of the ultrafast;photodoping of the conduction band. The relaxation dynamics of T* and;mu* are k independent and these two quantities uniquely define the;evolution of the excited charge population. We observe that the energy;dependence of the nonequilibrium charge population is solely determined;by the analytical form of the effective Fermi-Dirac distribution.;14;1;0;0;14;1098-0121;WOS:000311715100007;;;J;Dumlich, Heiko;Reich, Stephanie;Nanotube bundles and tube-tube orientation: A van der Waals density;functional study (vol 84, 064121, 2011);PHYSICAL REVIEW B;86;17;179905;10.1103/PhysRevB.86.179905;NOV 30 2012;2012;0;0;0;0;0;1098-0121;WOS:000311714600007;;;J;Fukutani, Keisuke;Hayashi, Hirokazu;Yakovkin, Ivan N.;Habuchi, Takafumi;Hirayama, Daisuke;Jiang, Jian;Iwasawa, Hideaki;Shimada, Kenya;Losovyj, Ya. B.;Dowben, Peter A.;Enhanced electron-phonon coupling at the Au/Mo(112) surface;PHYSICAL REVIEW B;86;20;205432;10.1103/PhysRevB.86.205432;NOV 30 2012;2012;A detailed investigation of the electronic structure and electron-phonon;coupling for a Au monolayer on the Mo(112) surface is presented. The;electronic states of bulk Mo and the (112) surface-derived states are;seen to strongly hybridize with those of the Au overlayer, resulting in;the formation of surface resonance states localized near the surface and;the interface of Au/Mo(112). The experimentally extracted self-energy;due to the electron-phonon coupling on one of the surface resonance;bands gives a good quantitative agreement with the calculations. The;strength of electron-phonon coupling for Au/Mo(112) is discussed in;terms of the mass enhancement factor and is considerably larger than for;the Mo(112) surface. Such an increase in the mass enhancement factor in;the vicinity of the Fermi level likely derives from the soft surface;phonon modes created upon Au adsorption.;2;0;0;0;2;1098-0121;WOS:000311715100011;;;J;Hamada, Ikutaro;Adsorption of water on graphene: A van der Waals density functional;study;PHYSICAL REVIEW B;86;19;195436;10.1103/PhysRevB.86.195436;NOV 30 2012;2012;The van der Waals density functional (vdW-DF) was used to investigate;the interaction of a water monomer with graphene. It was found that a;variant of vdW-DF [Hamada and Otani, Phys. Rev. B 82, 153412 (2010)];predicts geometries and energetics of water on graphene which are in;good agreement with those obtained using more elaborate random-phase;approximation and quantum Monte Carlo approaches. Interfacial electronic;structures were also analyzed in detail.;Hamada, Ikutaro/E-8040-2010;Hamada, Ikutaro/0000-0001-5112-2452;12;1;0;0;12;1098-0121;WOS:000311715000010;;;J;Hofmann, D.;Kuemmel, S.;Integer particle preference during charge transfer in Kohn-Sham theory;PHYSICAL REVIEW B;86;20;201109;10.1103/PhysRevB.86.201109;NOV 30 2012;2012;We investigate the static and dynamic charge transfer that is triggered;by external electric fields in model molecular wires. A self-interaction;correction in Kohn-Sham density functional theory leads to the desired;integer electron transfers that do not occur with standard functionals;which miss Coulomb blockade effects. Analysis of the multiplicative;exchange-correlation potential in stationary cases and during real-time;propagation shows how the local exchange-correlation potential builds up;step and reverse-step structures that enforce the integer particle;preference. The role of spin-symmetry breaking is discussed.;Kummel, Stephan/K-5634-2014;8;0;0;0;8;1098-0121;WOS:000311715100002;;;J;Illg, Christian;Meyer, Bernd;Faehnle, Manfred;Frequencies and polarization vectors of phonons: Results from force;constants which are fitted to experimental data or calculated ab initio;PHYSICAL REVIEW B;86;17;174309;10.1103/PhysRevB.86.174309;NOV 30 2012;2012;The properties of phonons may be calculated from the dynamical matrix;which is determined by force constants. Often the force constants are;obtained by fitting them to experimental phonon frequencies, e. g., for;wave vectors q on high-symmetry directions of the Brillouin zone. It is;well known that these force constants do not necessarily lead to correct;frequencies for wave vectors for nonsymmetrical q and to correct;polarization vectors. In the present paper this is demonstrated by;comparing for fcc Ni, fcc Al, and bcc Fe the frequencies and;polarization vectors calculated from fitted force constants with the;results from ab initio calculated force constants. However, for most;regions of the Brillouin zone the differences between the results;obtained from the two sets of force constants are not large.;1;0;0;0;1;1098-0121;WOS:000311714600003;;;J;Iori, Federico;Rodolakis, Fanny;Gatti, Matteo;Reining, Lucia;Upton, M.;Shvyd'ko, Y.;Rueff, Jean-Pascal;Marsi, Marino;Low-energy excitations in strongly correlated materials: A theoretical;and experimental study of the dynamic structure factor in V2O3;PHYSICAL REVIEW B;86;20;205132;10.1103/PhysRevB.86.205132;NOV 30 2012;2012;This work contains an experimental and theoretical study of the dynamic;structure factor at large momentum transfer vertical bar Q vertical bar;similar to 4 angstrom(-1) of the strongly correlated transition-metal;oxide V2O3. We focus in particular on the transitions between d states;that give rise to the spectra below 6 eV. We show that the main peak in;this energy range is mainly due to t(2g) -> e(g)(sigma) transitions, and;that it carries a signature of the phase transition between the;paramagnetic insulator and the paramagnetic metal that can already be;understood from the joint density of states calculated at the level of;the static local density approximation. Instead, in order to obtain;theoretical spectra that are overall similar to the measured ones, we;have to go beyond the static approximation and include at least crystal;local field effects. The latter turn out to be crucial in order to;eliminate a spurious peak and hence allow a safe comparison between;theory and experiment, including an analysis of the strong anisotropy of;the spectra.;CSIC-UPV/EHU, CFM/F-4867-2012; Iori, Federico/E-5372-2013; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Iori, Federico/0000-0002-7677-3435;;4;0;0;0;4;1098-0121;WOS:000311715100006;;;J;Kharitonov, Maxim;Antiferromagnetic state in bilayer graphene;PHYSICAL REVIEW B;86;19;195435;10.1103/PhysRevB.86.195435;NOV 30 2012;2012;Motivated by the recent experiment of Velasco Jr. et al. [J. Velasco Jr.;et al., Nat. Nanotechnology 7, 156 (2012)], we develop a mean-field;theory of the interaction-induced antiferromagnetic (AF) state in;bilayer graphene at charge neutrality point at arbitrary perpendicular;magnetic field B. We demonstrate that the AF state can persist at all B.;At higher B, the state continuously crosses over to the AF phase of the;nu = 0 quantum Hall ferromagnet, recently argued to be realized in the;insulating nu = 0 state. The mean-field quasiparticle gap is finite at B;= 0 and grows with increasing B, becoming quasilinear in the quantum;Hall regime, in accord with the reported behavior of the transport gap.;By adjusting the two free parameters of the model, we obtain a;simultaneous quantitative agreement between the experimental and;theoretical values of the key parameters of the gap dependence-its;zero-field value and slope at higher fields. Our findings suggest that;the insulating state observed in bilayer graphene in Ref. 1 is;antiferromagnetic (canted, once the Zeeman effect is taken into account);at all magnetic fields.;19;1;0;0;19;1098-0121;WOS:000311715000009;;;J;Klos, J. W.;Kumar, D.;Romero-Vivas, J.;Fangohr, H.;Franchin, M.;Krawczyk, M.;Barman, A.;Effect of magnetization pinning on the spectrum of spin waves in;magnonic antidot waveguides;PHYSICAL REVIEW B;86;18;184433;10.1103/PhysRevB.86.184433;NOV 30 2012;2012;We study the spin-wave spectra in magnonic antidot waveguides (MAWs) for;two limiting cases (strong and negligible) of the surface anisotropy at;the ferromagnet/air interface. The MAWs under investigation have the;form of a thin stripe of permalloy with a single row of periodically;arranged antidots in the middle. The introduction of a magnetization;pinning at the edges of the permalloy stripe and the edges of antidots;is found to modify the spin-wave spectrum. This effect is shown to be;necessary for magnonic gaps to open in the considered systems. Our study;demonstrates that the surface anisotropy can be crucial in the practical;applications of MAWs and related structures and in the interpretation of;experimental results in one-and two-dimensional magnonic crystals. We;used three different numerical methods, i.e., plane waves method (PWM),;finite difference method, and finite element method to validate the;results. We showed that PWM in the present formulation assumes pinned;magnetization, while in micromagnetic simulations special care must be;taken to introduce pinning.;Fangohr, Hans/C-6367-2008; Klos, Jaroslaw/G-9728-2012;Fangohr, Hans/0000-0001-5494-7193; Klos, Jaroslaw/0000-0002-5858-2950;13;2;0;0;13;1098-0121;WOS:000311714700002;;;J;Kolata, K.;Koester, N. S.;Chernikov, A.;Drexler, M. J.;Gatti, E.;Cecci, S.;Chrastina, D.;Isella, G.;Guzzi, M.;Chatterjee, S.;Dephasing in Ge/SiGe quantum wells measured by means of coherent;oscillations;PHYSICAL REVIEW B;86;20;201303;10.1103/PhysRevB.86.201303;NOV 30 2012;2012;We present a dephasing time analysis of the excitonic resonances in;Ge/SiGe quantum wells for various lattice temperatures by coherent;oscillation spectroscopy (COS). The results are compared to the;linewidths of the excitonic resonances determined from linear absorption;measurements. Additionally, COS is applied to different samples with;varying linewidth, identifying one sample with a dominating;homogeneously broadened 1s excitonic resonance down to 7 K.;Chatterjee, Sangam/E-3124-2012;2;0;0;0;2;1098-0121;WOS:000311715100003;;;J;Lang, Li-Jun;Chen, Shu;Majorana fermions in density-modulated p-wave superconducting wires;PHYSICAL REVIEW B;86;20;205135;10.1103/PhysRevB.86.205135;NOV 30 2012;2012;We study the p-wave superconducting wire with a periodically modulated;chemical potential and show that the Majorana edge states are robust;against the periodic modulation. We find that the critical amplitude of;modulated potential, at which the Majorana edge fermions and topological;phase disappear, strongly depends on the phase shifts. For some specific;values of the phase shift, the critical amplitude tends to infinity. The;existence of Majorana edge fermions in the open chain can be;characterized by a topological Z(2) invariant of the bulk system, which;can be applied to determine the phase boundary between the topologically;trivial and nontrivial superconducting phases. We also demonstrate the;existence of the zero-energy peak in the spectral function of the;topological superconducting phase, which is only sensitive to the open;boundary condition but robust against the disorder.;Lang, Li-Jun/C-2815-2014;Lang, Li-Jun/0000-0001-6038-8340;11;0;0;0;11;1098-0121;WOS:000311715100009;;;J;Lazicki, Amy;Dewaele, Agnes;Loubeyre, Paul;Mezouar, Mohamed;High-pressure-temperature phase diagram and the equation of state of;beryllium;PHYSICAL REVIEW B;86;17;174118;10.1103/PhysRevB.86.174118;NOV 30 2012;2012;X-ray diffraction of beryllium in a laser-heated diamond anvil cell;provides experimental insight into its behavior at high pressure and;temperature. We measure the cold compression of Be in helium and NaCl;pressure media up 192 GPa, and its thermal expansion up to 82 GPa and;2630 K. The new measurements form a P-V-T data set which is fit by the;Vinet-Debye form to establish a Be experimental equation of state. We;compare the results to several theoretical models. The crystal structure;of Be is determined up to 205 GPa and 4000 K; no evidence for the;predicted high-temperature transition to a cubic phase is found.;Finally, the maximum temperature stability of the solid phase along;isobaric heating ramps gives a lower bound for the melting curve.;5;0;0;0;5;1098-0121;WOS:000311714600002;;;J;Li, J.;Ekuma, C. E.;Vekhter, I.;Jarrell, M.;Moreno, J.;Stadler, S.;Karki, A. B.;Jin, R.;Physical properties of Ba2Mn2Sb2O single crystals;PHYSICAL REVIEW B;86;19;195142;10.1103/PhysRevB.86.195142;NOV 30 2012;2012;We report both experimental and theoretical investigations of the;physical properties of Ba2Mn2Sb2O single crystals. This material;exhibits a hexagonal structure with lattice constants a = 4.7029(15) A;and c = 19.9401(27) A, as obtained from powder x-ray diffraction;measurements, and in agreement with structural optimization through;density functional theory (DFT) calculations. The magnetic;susceptibility and specific heat show anomalies at T-N = 60 K,;consistent with antiferromagnetic ordering. However, the magnitude of;T-N is significantly smaller than the Curie-Weiss temperature (vertical;bar Theta(CW)vertical bar approximate to 560 K), suggesting a magnetic;system of reduced dimensionality. The temperature dependence of both the;in-plane and out-of-plane resistivity changes from activated at T > T-x;similar to 200 K to logarithmic at T < T-x. Correspondingly, the;magnetic susceptibility displays a bump at T-x. DFT calculations at the;DFT + U level support the experimental observation of an;antiferromagnetic ground state.;Vekhter, Ilya/M-1780-2013; Moreno, Juana/D-5882-2012;0;0;0;0;0;1098-0121;WOS:000311715000001;;;J;Mafra, D. L.;Kong, J.;Sato, K.;Saito, R.;Dresselhaus, M. S.;Araujo, P. T.;Using gate-modulated Raman scattering and electron-phonon interactions;to probe single-layer graphene: A different approach to assign phonon;combination modes;PHYSICAL REVIEW B;86;19;195434;10.1103/PhysRevB.86.195434;NOV 30 2012;2012;Gate-modulated and laser-dependent Raman spectroscopy have been widely;used to study q = 0 zone center phonon modes, their self-energy, and;their coupling to electrons in graphene systems. In this work we use;gate-modulated Raman of q not equal 0 phonons as a technique to;understand the nature of five second-order Raman combination modes;observed in the frequency range of 1700-2300 cm(-1) of single-layer;graphene (SLG). Anomalous phonon self-energy renormalization phenomena;are observed in all five combination modes within this intermediate;frequency region, which can clearly be distinguished from one another.;By combining the anomalous phonon renormalization effect with the double;resonance Raman theory, which includes both phonon dispersion relations;and angular dependence of the electron-phonon scattering matrix;elements, and by comparing it to the experimentally obtained phonon;dispersion, measured by using different laser excitation energies, we;can assign each Raman peak to the proper phonon combination mode. This;approach should also shed light on the understanding of more complex;structures such as few-layer graphene (FLG) and its stacking orders as;well as other two-dimensional (2D)-like materials.;Sato, Kentaro/B-7163-2008; Saito, Riichiro/B-1132-2008;Sato, Kentaro/0000-0001-6706-2175;;5;2;1;0;5;1098-0121;WOS:000311715000008;;;J;Mazza, Giacomo;Fabrizio, Michele;Dynamical quantum phase transitions and broken-symmetry edges in the;many-body eigenvalue spectrum;PHYSICAL REVIEW B;86;18;184303;10.1103/PhysRevB.86.184303;NOV 30 2012;2012;Many-body models undergoing a quantum phase transition to a;broken-symmetry phase that survives up to a critical temperature must;possess, in the ordered phase, symmetric as well as nonsymmetric;eigenstates. We predict, and explicitly show in the fully connected;Ising model in a transverse field, that these two classes of eigenstates;do not overlap in energy, and therefore that an energy edge exists;separating low-energy symmetry-breaking eigenstates from high-energy;symmetry-invariant ones. This energy is actually responsible, as we;show, for the dynamical phase transition displayed by this model under a;sudden large increase of the transverse field. A second situation we;consider is the opposite, where the symmetry-breaking eigenstates are;those in the high-energy sector of the spectrum, whereas the low-energy;eigenstates are symmetric. In that case too a special energy must exist;marking the boundary and leading to unexpected out-of-equilibrium;dynamical behavior. An example is the fermonic repulsive Hubbard model;Hamiltonian H. Exploiting the trivial fact that the high-energy spectrum;of H is also the low-energy one of -H, we conclude that the high-energy;eigenstates of the Hubbard model are superfluid. Simulating in a;time-dependent Gutzwiller approximation the time evolution of a;high-energy BCS-like trial wave function, we show that a small;superconducting order parameter will actually grow in spite of the;repulsive nature of the interaction.;fabrizio, michele/N-3762-2014;2;0;0;0;2;1098-0121;WOS:000311714700001;;;J;Mueller, T.;Aharonovich, I.;Wang, Z.;Yuan, X.;Castelletto, S.;Prawer, S.;Atatuere, M.;Phonon-induced dephasing of chromium color centers in diamond;PHYSICAL REVIEW B;86;19;195210;10.1103/PhysRevB.86.195210;NOV 30 2012;2012;We report on the coherence properties of single photons from;chromium-based color centers in diamond. We use field-correlation and;spectral line-shape measurements to reveal the interplay between slow;spectral wandering and fast dephasing mechanisms as a function of;temperature. The zero-phonon transition frequency and its linewidth;follow a power-law dependence on temperature, which is consistent with;direct electron-phonon coupling and phonon-modulated Coulomb coupling to;nearby impurities, which are the predominant fast dephasing mechanisms;for these centers. Further, the observed reduction in the quantum yield;for photon emission as a function of temperature suggests the opening of;additional nonradiative channels through thermal activation to;higher-energy states and indicates a near-unity quantum efficiency at 4;K.;castelletto, stefania/G-1516-2011; McKenzie, Warren/J-2137-2014;3;0;0;0;3;1098-0121;WOS:000311715000007;;;J;Murthy, Ganpathy;Shankar, R.;Hamiltonian theory of fractionally filled Chern bands;PHYSICAL REVIEW B;86;19;195146;10.1103/PhysRevB.86.195146;NOV 30 2012;2012;There is convincing numerical evidence that fractional quantum-Hall-like;ground states arise in fractionally filled Chern bands. Here, we show;that the Hamiltonian theory of composite fermions (CF) can be as useful;in describing these states as it was in describing the fractional;quantum Hall effect (FQHE) in the continuum. We are able to introduce;CFs into the fractionally filled Chern-band problem in two stages.;First, we construct an algebraically exact mapping which expresses the;electron density projected to the Chern band rho(FCB) as a sum of;Girvin-MacDonald-Platzman density operators rho(GMP) that obey the;magnetic translation algebra. Next, following our Hamiltonian treatment;of the FQH problem, we rewrite the operators rho(GMP) in terms of CF;variables which reproduce the same algebra. This naturally produces a;unique Hartree-Fock ground state for the CFs, which can be used as a;springboard for computing gaps, response functions,;temperature-dependent phenomena, and the influence of disorder. We give;two concrete examples, one of which has no analog in the continuum FQHE;with nu = 1/5 and sigma(xy) = 2/5. Our approach can be easily extended;to fractionally filled, strongly interacting two-dimensional;time-reversal-invariant topological insulators.;15;0;0;0;15;1098-0121;WOS:000311715000005;;;J;Ovsyannikov, Sergey V.;Morozova, Natalia V.;Karkin, Alexander E.;Shchennikov, Vladimir V.;High-pressure cycling of hematite alpha-Fe2O3: Nanostructuring, in situ;electronic transport, and possible charge disproportionation;PHYSICAL REVIEW B;86;20;205131;10.1103/PhysRevB.86.205131;NOV 30 2012;2012;We studied electronic transport properties of hematite (alpha-Fe2O3) at;room temperature under cycling of high pressure up to similar to 22 GPa.;The original samples and those recovered after high-pressure experiments;were examined by x-ray diffraction and Raman and optical absorption;spectroscopy. At ambient pressure the original samples were also;characterized by temperature measurements of electrical and;galvanomagnetic properties. Upon compression, the original single;crystals underwent a sluggish structural deconfinement starting above 5;GPa into a nanometric state. Above 5-7 GPa, the nanostructured hematite;showed a reversible transition to a state with enhanced electrical;conductivity and moderate values of thermoelectric power (Seebeck;effect) of about -150 mu V/K. This electronic phase corresponds to;neither conventional trivalent oxidation state of the iron ions in;hematite nor metallic conductivity. Analysis of the electronic transport;data in the frameworks of two models, of polaron hopping, and of;intrinsic semiconductor conductivity, revealed a change from the;electron conductivity to two-band electrical conductivity and suggested;that the observed enhancement of the electrical properties in;nanocrystalline alpha-Fe2O3 above 5-7 GPa is related to the;mixed-valence state of the iron ions. Since alpha-Fe2O3 is believed to;undergo a "spin-flop" (Morin) transition near 2-5 GPa at room;temperature, we discuss potential contributions of magnetoelastic and;other effects to the observed high-pressure properties of hematite.;Ovsyannikov, Sergey/J-7802-2012; Morozova, Natalia/J-3568-2013; Karkin, Alexander/J-6712-2013; Shchennikov, Vladimir/J-8533-2013;Morozova, Natalia/0000-0002-2377-1372; Karkin,;Alexander/0000-0003-0464-4762; Shchennikov, Vladimir/0000-0003-2887-1652;4;0;0;0;4;1098-0121;WOS:000311715100005;;;J;Pielawa, Susanne;Berg, Erez;Sachdev, Subir;Frustrated quantum Ising spins simulated by spinless bosons in a tilted;lattice: From a quantum liquid to antiferromagnetic order;PHYSICAL REVIEW B;86;18;184435;10.1103/PhysRevB.86.184435;NOV 30 2012;2012;We study spinless bosons in a decorated square lattice with a;near-diagonal tilt. The resonant subspace of the tilted Mott insulator;is described by an effective Hamiltonian of frustrated quantum Ising;spins on a nonbipartite lattice. This generalizes an earlier proposal;for the unfrustrated quantum Ising model in one dimension which was;realized in a recent experiment on ultracold Rb-87 atoms in an optical;lattice. Very close to diagonal tilt, we find a quantum liquid state;which is continuously connected to the paramagnet. Frustration can be;reduced by increasing the tilt angle away from the diagonal, and the;system undergoes a transition to an antiferromagnetically ordered state.;Using quantum Monte Carlo simulations and exact diagonalization, we find;that for realistic system sizes the antiferromagnetic order appears to;be quasi-one-dimensional, however, in the thermodynamic limit the order;is two-dimensional.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;1;0;0;0;1;1098-0121;WOS:000311714700004;;;J;Popov, V. V.;Polischuk, O. V.;Davoyan, A. R.;Ryzhii, V.;Otsuji, T.;Shur, M. S.;Plasmonic terahertz lasing in an array of graphene nanocavities;PHYSICAL REVIEW B;86;19;195437;10.1103/PhysRevB.86.195437;NOV 30 2012;2012;We propose a novel concept of terahertz lasing based on stimulated;generation of plasmons in a planar array of graphene resonant;micro/nanocavities strongly coupled to terahertz radiation. Due to the;strong plasmon confinement and superradiant nature of terahertz emission;by the array of plasmonic nanocavities, the amplification of terahertz;waves is enhanced by many orders of magnitude at the plasmon resonance;frequencies. We show that the lasing regime is ensured by the balance;between the plasmon gain and plasmon radiative damping.;Davoyan, Artur/K-8567-2013;Davoyan, Artur/0000-0002-4662-1158;15;0;0;0;15;1098-0121;WOS:000311715000011;;;J;Romanov, Sergei G.;Vogel, Nicolas;Bley, Karina;Landfester, Katharina;Weiss, Clemens K.;Orlov, Sergej;Korovin, Alexander V.;Chuiko, Gennady P.;Regensburger, Alois;Romanova, Alexandra S.;Kriesch, Arian;Peschel, Ulf;Probing guided modes in a monolayer colloidal crystal on a flat metal;film;PHYSICAL REVIEW B;86;19;195145;10.1103/PhysRevB.86.195145;NOV 30 2012;2012;Two-dimensional slab hybrid metal-dielectric photonic crystals, which;are prepared by assembling polymer colloidal spheres into closely packed;monolayers of hexagonal symmetry on a gold-coated glass substrate, show;an improved confinement of light compared with a colloidal monolayer on;a glass substrate. We demonstrated that the optical response of such;hybrid crystals consists of diffractively coupled waveguiding modes,;Fabry-Perot resonances, and Mie resonances. Correspondingly, two major;mechanisms, namely, band transport and hopping of localized excitations,;participate in the in-plane light transport in such hybrid crystals.;Weiss, Clemens/C-9932-2009; Peschel, Ulf/C-3356-2013; Romanov, Sergei/H-6868-2013; Kriesch, Arian/A-7337-2011;Weiss, Clemens/0000-0001-8559-0385; Romanov, Sergei/0000-0003-0546-9505;;Kriesch, Arian/0000-0002-8347-0344;6;1;0;0;6;1098-0121;WOS:000311715000004;;;J;Schoop, Leslie;Muechler, Lukas;Schmitt, Jennifer;Ksenofontov, Vadim;Medvedev, Sergey;Nuss, Juergen;Casper, Frederick;Jansen, Martin;Cava, R. J.;Felser, Claudia;Effect of pressure on superconductivity in NaAlSi;PHYSICAL REVIEW B;86;17;174522;10.1103/PhysRevB.86.174522;NOV 30 2012;2012;The ternary superconductor NaAlSi, isostructural with LiFeAs, the "111";iron pnictide superconductor, is investigated under pressure. The;structure remains stable up to 15 GPa. Resistivity and susceptibility;measurements show an increase of T-c up to 2 GPa, followed by a decrease;until superconductivity disappears at 4.8 GPa. Band structure;calculations show that pressure should have a negligible effect on the;electronic structure and the Fermi surface and thus the disappearance of;superconductivity under pressure must have a different origin. We;compare the electronic structure of NaAlSi under pressure with that of;nonsuperconducting isostructural NaAlGe.;Felser, Claudia/A-5779-2009; Casper, Frederick/A-5782-2009; Nuss, Juergen/G-2711-2010; Muchler, Lukas/A-4628-2013; Schoop, Leslie/A-4627-2013;Nuss, Juergen/0000-0002-0679-0184; Schoop, Leslie/0000-0003-3459-4241;1;0;0;0;1;1098-0121;WOS:000311714600006;;;J;Schwier, E. F.;Scherwitzl, R.;Vydrova, Z.;Garcia-Fernandez, M.;Gibert, M.;Zubko, P.;Garnier, M. G.;Triscone, J. -M.;Aebi, P.;
7:3:2:113 Quantum confinement of Mott electrons in ultrathin LaNiO3/LaAlO3 superlattices (vol 83, 161102, 2011)
DOI:10.1103/PhysRevB.86.079904 JN:PHYSICAL REVIEW B PY:2012 TC:0 AU: Liu, Jian;Okamoto, S.;van Veenendaal, M.;Kareev, M.;Gray, B.;Ryan, P.;Freeland, J. W.;Chakhalian, J.;
7:3:2:114 Strain-modulated Mott transition in EuNiO3 ultrathin films (vol 88, 075116, 2013)
DOI:10.1103/PhysRevB.88.079903 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Meyers, D.;Middey, S.;Kareev, M.;van Veenendaal, M.;Moon, E. J.;Gray, B. A.;Liu, Jian;Freeland, J. W.;Chakhalian, J.;
7:3:2:115 Effect of structural and magnetic exchange coupling on the electronic transport of NdNiO3 films intercalated with La0.7Sr0.3MnO3 thin layers (vol 103, 032403, 2013)
DOI:10.1063/1.4817531 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Pandey, Parul;Rana, Rakesh;Tripathi, Shivendra;Rana, D. S.;
7:3:2:116 Electrically induced insulator to metal transition in epitaxial SmNiO3 thin films (vol 105, 012108, 2014)
DOI:10.1063/1.4891559 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Shukla, Nikhil;Joshi, Toyanath;Dasgupta, Sandeepan;Borisov, Pavel;Lederman, David;Datta, Suman;
7:3:2:117 Epitaxial stabilization of ultra thin films of electron doped manganites
DOI:10.1063/1.4879456 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Middey, S.;Kareev, M.;Meyers, D.;Liu, X.;Cao, Y.;Tripathi, S.;Yazici, D.;Maple, M. B.;Ryan, P. J.;Freeland, J. W.;Chakhalian, J.;
7:3:3:1 Structure and Properties of Functional Oxide Thin Films: Insights From Electronic-Structure Calculations
DOI:10.1002/adma.201101152 JN:ADVANCED MATERIALS PY:2011 TC:100 AU: Rondinelli, James M.;Spaldin, Nicola A.;
7:3:3:2 Quantifying octahedral rotations in strained perovskite oxide films
DOI:10.1103/PhysRevB.82.014110 JN:PHYSICAL REVIEW B PY:2010 TC:90 AU: May, S. J.;Kim, J. -W.;Rondinelli, J. M.;Karapetrova, E.;Spaldin, N. A.;Bhattacharya, A.;Ryan, P. J.;
7:3:3:3 Control of octahedral connectivity in perovskite oxide heterostructures: An emerging route to multifunctional materials discovery
DOI:10.1557/mrs.2012.49 JN:MRS BULLETIN PY:2012 TC:81 AU: Rondinelli, James M.;May, Steven J.;Freeland, John W.;
7:3:3:4 Suppression of Octahedral Tilts and Associated Changes in Electronic Properties at Epitaxial Oxide Heterostructure Interfaces
DOI:10.1103/PhysRevLett.105.087204 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:89 AU: Borisevich, A. Y.;Chang, H. J.;Huijben, M.;Oxley, M. P.;Okamoto, S.;Niranjan, M. K.;Burton, J. D.;Tsymbal, E. Y.;Chu, Y. H.;Yu, P.;Ramesh, R.;Kalinin, S. V.;Pennycook, S. J.;
7:3:3:5 Misfit strain accommodation in epitaxial ABO(3) perovskites: Lattice rotations and lattice modulations
DOI:10.1103/PhysRevB.83.064101 JN:PHYSICAL REVIEW B PY:2011 TC:70 AU: Vailionis, A.;Boschker, H.;Siemons, W.;Houwman, E. P.;Blank, D. H. A.;Rijnders, G.;Koster, G.;
7:3:3:6 Control of Octahedral Tilts and Magnetic Properties of Perovskite Oxide Heterostructures by Substrate Symmetry
DOI:10.1103/PhysRevLett.105.227203 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:48 AU: He, Jun;Borisevich, Albina;Kalinin, Sergei V.;Pennycook, Stephen J.;Pantelides, Sokrates T.;
7:3:3:7 Substrate coherency driven octahedral rotations in perovskite oxide films
DOI:10.1103/PhysRevB.82.113402 JN:PHYSICAL REVIEW B PY:2010 TC:36 AU: Rondinelli, James M.;Spaldin, Nicola A.;
7:3:3:8 Control of octahedral rotations in (LaNiO3)(n)/(SrMnO3)(m) superlattices
DOI:10.1103/PhysRevB.83.153411 JN:PHYSICAL REVIEW B PY:2011 TC:30 AU: May, S. J.;Smith, C. R.;Kim, J. -W.;Karapetrova, E.;Bhattacharya, A.;Ryan, P. J.;
7:3:3:9 Interplay of Octahedral Tilts and Polar Order in BiFeO3 Films
DOI:10.1002/adma.201204584 JN:ADVANCED MATERIALS PY:2013 TC:23 AU: Kim, Young-Min;Kumar, Amit;Hatt, Alison;Morozovska, Anna N.;Tselev, Alexander;Biegalski, Michael D.;Ivanov, Ilya;Eliseev, Eugene A.;Pennycook, Stephen J.;Rondinelli, James M.;Kalinin, Sergei V.;Borisevich, Albina Y.;
7:3:3:10 Octahedral rotations in strained LaAlO3/SrTiO3 (001) heterostructures
DOI:10.1063/1.4865160 JN:APL MATERIALS PY:2014 TC:8 AU: Fister, T. T.;Zhou, H.;Luo, Z.;Seo, S. S. A.;Hruszkewycz, S. O.;Proffit, D. L.;Eastman, J. A.;Fuoss, P. H.;Baldo, P. M.;Lee, H. N.;Fong, D. D.;
7:3:3:11 High-Temperature Magnetic Insulating Phase in Ultrathin La0.67Sr0.33MnO3 Films
DOI:10.1103/PhysRevLett.109.157207 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:23 AU: Boschker, Hans;Kautz, Jaap;Houwman, Evert P.;Siemons, Wolter;Blank, Dave H. A.;Huijben, Mark;Koster, Gertjan;Vailionis, Arturas;Rijnders, Guus;
7:3:3:12 Structural phases of strained LaAlO3 driven by octahedral tilt instabilities
DOI:10.1103/PhysRevB.82.195402 JN:PHYSICAL REVIEW B PY:2010 TC:26 AU: Hatt, Alison J.;Spaldin, Nicola A.;
7:3:3:13 Annealing assisted substrate coherency and high-temperature antiferromagnetic insulating transition in epitaxial La0.67Ca0.33MnO3/NdGaO3(001) films
DOI:10.1063/1.4804541 JN:AIP ADVANCES PY:2013 TC:4 AU: Wang, L. F.;Tan, X. L.;Chen, P. F.;Zhi, B. W.;Chen, B. B.;Huang, Z.;Gao, G. Y.;Wu, W. B.;
7:3:3:14 Misfit accommodation in oxide thin film heterostructures
DOI:10.1016/j.actamat.2012.09.069 JN:ACTA MATERIALIA PY:2013 TC:14 AU: Pennycook, S. J.;Zhou, H.;Chisholm, M. F.;Borisevich, A. Y.;Varela, M.;Gazquez, J.;Pennycook, T. J.;Narayan, J.;
7:3:3:15 Control of Structural Distortions in Transition-Metal Oxide Films through Oxygen Displacement at the Heterointerface
DOI:10.1002/adfm.201303521 JN:ADVANCED FUNCTIONAL MATERIALS PY:2014 TC:7 AU: Aso, Ryotaro;Kan, Daisuke;Shimakawa, Yuichi;Kurata, Hiroki;
7:3:3:16 Hidden Magnetic Configuration in Epitaxial La1-xSrxMnO3 Films
DOI:10.1103/PhysRevLett.105.257204 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:27 AU: Lee, J. -S.;Arena, D. A.;Yu, P.;Nelson, C. S.;Fan, R.;Kinane, C. J.;Langridge, S.;Rossell, M. D.;Ramesh, R.;Kao, C. -C.;
7:3:3:17 Effect of Interfacial Octahedral Behavior in Ultrathin Manganite Films
DOI:10.1021/nl500235f JN:NANO LETTERS PY:2014 TC:14 AU: Moon, E. J.;Balachandran, P. V.;Kirby, B. J.;Keavney, D. J.;Sichel-Tissot, R. J.;Schlepuetz, C. M.;Karapetrova, E.;Cheng, X. M.;Rondinelli, J. M.;May, S. J.;
7:3:3:18 Thickness-dependent structural phase transition of strained SrRuO3 ultrathin films: The role of octahedral tilt
DOI:10.1103/PhysRevB.84.104101 JN:PHYSICAL REVIEW B PY:2011 TC:15 AU: Chang, Seo Hyoung;Chang, Young Jun;Jang, S. Y.;Jeong, D. W.;Jung, C. U.;Kim, Y. -J.;Chung, J. -S.;Noh, T. W.;
7:3:3:19 Octahedral tilting in strained LaVO3 thin films
DOI:10.1103/PhysRevB.85.184101 JN:PHYSICAL REVIEW B PY:2012 TC:12 AU: Rotella, H.;Lueders, U.;Janolin, P. -E.;Dao, V. H.;Chateigner, D.;Feyerherm, R.;Dudzik, E.;Prellier, W.;
7:3:3:20 Enhancing the orthorhombicity and antiferromagnetic-insulating state in epitaxial La0.67Ca0.33MnO3/NdGaO3(001) films by inserting a SmFeO3 buffer layer
DOI:10.1063/1.4902951 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Tan, Xuelian;Gao, Guanyin;Chen, Pingfan;Xu, Haoran;Zhi, Bowen;Jin, Feng;Chen, Feng;Wu, Wenbin;
7:3:3:21 Large Isosymmetric Reorientation of Oxygen Octahedra Rotation Axes in Epitaxially Strained Perovskites
DOI:10.1103/PhysRevLett.106.235502 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:19 AU: Rondinelli, James M.;Coh, Sinisa;
7:3:3:22 Competing Misfit Relaxation Mechanisms in Epitaxial Correlated Oxides
DOI:10.1103/PhysRevLett.110.107206 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:15 AU: Sandiumenge, Felip;Santiso, Jose;Balcells, Lluis;Konstantinovic, Zorica;Roqueta, Jaume;Pomar, Alberto;Pedro Espinos, Juan;Martinez, Benjamin;
7:3:3:23 Tuning the ground state of La0.67Ca0.33MnO3 films via coherent growth on orthorhombic NdGaO3 substrates with different orientations
DOI:10.1103/PhysRevB.86.014410 JN:PHYSICAL REVIEW B PY:2012 TC:7 AU: Huang, Z.;Wang, L. F.;Chen, P. F.;Gao, G. Y.;Tan, X. L.;Zhi, B. W.;Xuan, X. F.;Wu, W. B.;
7:3:3:24 Anisotropic resistivities in anisotropic-strain-controlled phase-separated La0.67Ca0.33MnO3/NdGaO3(100) films
DOI:10.1063/1.4818636 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Wang, L. F.;Tan, X. L.;Chen, P. F.;Zhi, B. W.;Sun, Z. G.;Huang, Z.;Gao, G. Y.;Wu, W. B.;
7:3:3:25 Tilt transitions in compressively strained AgTa0.5Nb0.5O3 thin films
DOI:10.1103/PhysRevB.84.134114 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Johnson-Wilke, R. L.;Tinberg, D. S.;Yeager, C. B.;Han, Y.;Reaney, I. M.;Levin, I.;Fong, D. D.;Fister, T. T.;Trolier-McKinstry, S.;
7:3:3:26 Symmetry and lattice mismatch induced strain accommodation near and away from correlated perovskite interfaces
DOI:10.1063/1.4896969 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Vailionis, A.;Boschker, H.;Liao, Z.;Smit, J. R. A.;Rijnders, G.;Huijben, M.;Koster, G.;
7:3:3:27 Unit-cell thick BaTiO3 blocks octahedral tilt propagation across oxide heterointerface
DOI:10.1063/1.4875839 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:5 AU: Kan, Daisuke;Aso, Ryotaro;Kurata, Hiroki;Shimakawa, Yuichi;
7:3:3:28 Ab initio study of the intrinsic exchange bias at the SrRuO3/SrMnO3 interface
DOI:10.1103/PhysRevB.84.224437 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Dong, Shuai;Zhang, Qinfang;Yunoki, Seiji;Liu, J-M;Dagotto, Elbio;
7:3:3:29 Quantification of octahedral rotations in strained LaAlO3 films via synchrotron x-ray diffraction
DOI:10.1103/PhysRevB.88.174101 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Johnson-Wilke, R. L.;Marincel, D.;Zhu, S.;Warusawithana, M. P.;Hatt, A.;Sayre, J.;Delaney, K. T.;Engel-Herbert, R.;Schlepuetz, C. M.;Kim, J. -W.;Gopalan, V.;Spaldin, N. A.;Schlom, D. G.;Ryan, P. J.;Trolier-McKinstry, S.;
7:3:3:30 Thickness-Dependent Structure-Property Relationships in Strained (110) SrRuO3 Thin Films
DOI:10.1002/adfm.201202402 JN:ADVANCED FUNCTIONAL MATERIALS PY:2013 TC:16 AU: Kan, Daisuke;Aso, Ryotaro;Kurata, Hiroki;Shimakawa, Yuichi;
7:3:3:31 Iso-Structural Phase Transitions in BiFeO3
DOI:10.1002/adma.200904229 JN:ADVANCED MATERIALS PY:2010 TC:22 AU: Scott, James F.;
7:3:3:32 Epitaxial strain effect in tetragonal SrRuO3 thin films
DOI:10.1063/1.4803869 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:8 AU: Kan, Daisuke;Aso, Ryotaro;Kurata, Hiroki;Shimakawa, Yuichi;
7:3:3:33 Strain modulated anisotropic electronic charge transfer in perovskite Pr0.67Sr0.33MnO3 thin films
DOI:10.1103/PhysRevB.89.195140 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Zhang, Bangmin;Sun, Cheng-Jun;Yang, Ping;Lu, Wenlai;Fisher, Brandon L.;Venkatesan, T.;Heald, Steve M.;Chen, Jing-Sheng;Chow, Gan Moog;
7:3:3:34 Phase-Transition Temperatures of Strained Single-Crystal SrRuO3 Thin Films
DOI:10.1002/adma.200902355 JN:ADVANCED MATERIALS PY:2010 TC:26 AU: Choi, Kyoung Jin;Baek, Seung Hyub;Jang, Ho Won;Belenky, Land J.;Lyubchenko, M.;Eom, Chang-Beom;
7:3:3:35 Competing strain relaxation mechanisms in epitaxially grown Pr0.48Ca0.52MnO3 on SrTiO3
DOI:10.1063/1.4900817 JN:APL MATERIALS PY:2014 TC:1 AU: Herpers, Anja;O'Shea, Kerry J.;MacLaren, Donald A.;Noyong, Michael;Roesgen, Bernd;Simon, Ulrich;Dittmann, Regina;
7:3:3:36 Uniaxial contribution to the magnetic anisotropy of La0.67Sr0.33MnO3 thin films induced by orthorhombic crystal structure
DOI:10.1016/j.jmmm.2011.05.051 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:14 AU: Boschker, Hans;Mathews, Mercy;Brinks, Peter;Houwman, Evert;Vailionis, Arturas;Koster, Gertjan;Blank, Dave H. A.;Rijnders, Guus;
7:3:3:37 Dynamic Evanescent Phonon Coupling Across the La1-xSrxMnO3/SrTiO3 Interface
DOI:10.1103/PhysRevLett.107.105501 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:12 AU: Segal, Y.;Garrity, K. F.;Vaz, C. A. F.;Hoffman, J. D.;Walker, F. J.;Ismail-Beigi, S.;Ahn, C. H.;
7:3:3:38 Magnetic Ordering and Structural Phase Transitions in a Strained Ultrathin SrRuO3/SrTiO3 Superlattice
DOI:10.1103/PhysRevLett.109.157003 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:8 AU: Gu, Mingqiang;Xie, Qiyun;Shen, Xuan;Xie, Rubin;Wang, Jianli;Tang, Gang;Wu, Di;Zhang, G. P.;Wu, X. S.;
7:3:3:39 Effect of "symmetry mismatch" on the domain structure of rhombohedral BiFeO3 thin films
DOI:10.1063/1.4875801 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Chen, Z. H.;Damodaran, A. R.;Xu, R.;Lee, S.;Martin, L. W.;
7:3:3:40 Phase evolution and the multiple metal-insulator transitions in epitaxially shear-strained La0.67Ca0.33MnO3/NdGaO3(001) films
DOI:10.1063/1.3499650 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:8 AU: Huang, Zhen;Wang, Lingfei;Tan, Xuelian;Chen, Pingfan;Gao, Guanyin;Wu, Wenbin;
7:3:3:41 The role of octahedral tilting in the structural phase transition and magnetic anisotropy in SrRuO3 thin film
DOI:10.1063/1.4790699 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Lu, Wenlai;Song, Wen Dong;He, Kaihua;Chai, Jianwei;Sun, Cheng-Jun;Chow, Gan-Moog;Chen, Jing-Sheng;
7:3:3:42 In-plane structural order of domain engineered La0.7Sr0.3MnO3 thin films
DOI:10.1080/14786435.2012.747010 JN:PHILOSOPHICAL MAGAZINE PY:2013 TC:2 AU: Boschker, J. E.;Monsen, A. F.;Nord, M.;Mathieu, R.;Grepstad, J. K.;Holmestad, R.;Wahlstrom, E.;Tybell, T.;
7:3:3:43 Geometric-shape-dependent structural transition behavior in (110) SrRuO3 epitaxial thin films
DOI:10.1063/1.4716029 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Kan, Daisuke;Shimakawa, Yuichi;
7:3:3:44 Electron-lattice instabilities suppress cuprate-like electronic structures in SrFeO3/OSrTiO3 superlattices
DOI:10.1103/PhysRevB.81.085109 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Rondinelli, James M.;Spaldin, Nicola A.;
7:3:3:45 Controlling competing interactions at oxide interfaces: Enhanced anisotropy in La0.7Sr0.3MnO3 films via interface engineering
DOI:10.1103/PhysRevB.85.235125 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Lee, J. -S.;Arena, D. A.;Santos, T. S.;Nelson, C. S.;Hyun, S. I.;Shim, J. H.;Kao, C. -C.;
7:3:3:46 Magnetoelastic coupling in La2/3Sr1/3MnO3 thin films on SrTiO3
DOI:10.1103/PhysRevB.84.184412 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Pesquera, D.;Skumryev, V.;Sanchez, F.;Herranz, G.;Fontcuberta, J.;
7:3:3:47 Thickness-dependent ferromagnetic metal to paramagnetic insulator transition in La0.6Sr0.4MnO3 thin films studied by x-ray magnetic circular dichroism
DOI:10.1103/PhysRevB.89.235123 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Shibata, G.;Yoshimatsu, K.;Sakai, E.;Singh, V. R.;Verma, V. K.;Ishigami, K.;Harano, T.;Kadono, T.;Takeda, Y.;Okane, T.;Saitoh, Y.;Yamagami, H.;Sawa, A.;Kumigashira, H.;Oshima, M.;Koide, T.;Fujimori, A.;
7:3:3:48 Effect of oxygen vacancies on the electronic structure and transport properties of SrRuO3 thin films
DOI:10.1063/1.4795011 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Lu, Wenlai;He, Kaihua;Song, Wendong;Sun, Cheng-Jun;Chow, Gan Moog;Chen, Jing-sheng;
7:3:3:49 Control of orbital ordered state in strained Nd0.25Sr1.75MnO4 films
DOI:10.1063/1.3427428 JN:APPLIED PHYSICS LETTERS PY:2010 TC:4 AU: Takahashi, K. S.;Fujioka, J.;Ida, Y.;Kawasaki, M.;Tokura, Y.;
7:3:3:50 Structural phase transitions in AgTa0.5Nb0.5O3 thin films
DOI:10.1063/1.3447753 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:6 AU: Han, Y.;Reaney, I. M.;Johnson-Wilke, R. L.;Telli, M. B.;Tinberg, D. S.;Levin, I.;Fong, D. D.;Fister, T. T.;Streiffer, S. K.;Trolier-McKinstry, S.;
7:3:3:51 Octahedral tilt transitions in relaxed epitaxial Pb(Zr(1-x)Ti(x))O(3) films
DOI:10.1063/1.3580328 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Tinberg, Daniel S.;Johnson-Wilke, Raegan L.;Fong, Dillon D.;Fister, Timothy T.;Streiffer, Stephen K.;Han, Yisong;Reaney, Ian M.;Trolier-McKinstry, Susan;
7:3:3:52 Coherently strained epitaxial Pb(Zr1-xTix)O-3 thin films
DOI:10.1063/1.4825215 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Johnson-Wilke, Raegan L.;Tinberg, Daniel S.;Yeager, C.;Qu, Weiguo;Fong, Dillon D.;Fister, Timothy T.;Streiffer, Stephen K.;Han, Yisong;Reaney, Ian M.;Trolier-McKinstry, Susan;
7:3:3:53 Low-temperature synthesis of nanosized bismuth ferrite by the soft chemical method
DOI:10.1016/j.ceramint.2012.06.014 JN:CERAMICS INTERNATIONAL PY:2013 TC:7 AU: Aguiar, E. C.;Ramirez, M. A.;Moura, F.;Varela, J. A.;Longo, E.;Simoes, A. Z.;
7:3:3:54 Control of octahedral rotations in (LaNiO3)(n)/(SrMnO3)(m) superlattices (vol 83, 153411, 2011)
DOI:10.1103/PhysRevB.85.039905 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: May, S. J.;Smith, C. R.;Kim, J. -W.;Karapetrova, E.;Bhattacharya, A.;Ryan, P. J.;
7:3:3:55 Control of oxygen octahedral rotations and physical properties in SrRuO3 films
DOI:10.1103/PhysRevB.88.214115 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;
7:3:3:56 Magnetic signature of symmetry reduction in epitaxial La0.67Sr0.33MnO3 films
DOI:10.1063/1.3623442 JN:APPLIED PHYSICS LETTERS PY:2011 TC:0 AU: Barua, Radhika;Lewis, L. H.;Heiman, D.;
7:3:3:57 Rotation-reversal symmetries in crystals and handed structures
DOI:10.1038/NMAT2987 JN:NATURE MATERIALS PY:2011 TC:30 AU: Gopalan, Venkatraman;Litvin, Daniel B.;
7:3:4:1 Switchable Induced Polarization in LaAlO3/SrTiO3 Heterostructures
DOI:10.1021/nl3001088 JN:NANO LETTERS PY:2012 TC:57 AU: Bark, C. W.;Sharma, P.;Wang, Y.;Baek, S. H.;Lee, S.;Ryu, S.;Folkman, C. M.;Paudel, T. R.;Kumar, A.;Kalinin, S. V.;Sokolov, A.;Tsymbal, E. Y.;Rzchowski, M. S.;Gruverman, A.;Eom, C. B.;
7:3:4:2 Charge Writing at the LaAlO3/SrTiO3 Surface
DOI:10.1021/nl1012695 JN:NANO LETTERS PY:2010 TC:60 AU: Xie, Yanwu;Bell, Christopher;Yajima, Takeaki;Hikita, Yasuyuki;Hwang, Harold Y.;
7:3:4:3 Metallic and Insulating Interfaces of Amorphous SrTiO3-Based Oxide Heterostructures
DOI:10.1021/nl201821j JN:NANO LETTERS PY:2011 TC:70 AU: Chen, Yunzhong;Pryds, Nini;Kleibeuker, Josee E.;Koster, Gertjan;Sun, Jirong;Stamate, Eugen;Shen, Baogen;Rijnders, Guus;Linderoth, Soren;
7:3:4:4 "Water-cycle" mechanism for writing and erasing nanostructures at the LaAlO3/SrTiO3 interface
DOI:10.1063/1.3506509 JN:APPLIED PHYSICS LETTERS PY:2010 TC:44 AU: Bi, Feng;Bogorin, Daniela F.;Cen, Cheng;Bark, Chung Wung;Park, Jae-Wan;Eom, Chang-Beom;Levy, Jeremy;
7:3:4:5 Tuning the two-dimensional electron gas at the LaAlO3/SrTiO3(001) interface by metallic contacts
DOI:10.1103/PhysRevB.85.125404 JN:PHYSICAL REVIEW B PY:2012 TC:16 AU: Arras, Remi;Ruiz, Victor G.;Pickett, Warren E.;Pentcheva, Rossitza;
7:3:4:6 Gate-Controlled Spin Injection at LaAlO3/SrTiO3 Interfaces
DOI:10.1103/PhysRevLett.108.186802 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:21 AU: Reyren, N.;Bibes, M.;Lesne, E.;George, J. -M.;Deranlot, C.;Collin, S.;Barthelemy, A.;Jaffres, H.;
7:3:4:7 Creation and Control of Two-Dimensional Electron Gas Using Al-Based Amorphous Oxides/SrTiO3 Heterostructures Grown by Atomic Layer Deposition
DOI:10.1021/nl302214x JN:NANO LETTERS PY:2012 TC:26 AU: Lee, Sang Woon;Liu, Yiqun;Heo, Jaeyeong;Gordon, Roy G.;
7:3:4:8 Tuning the Electron Gas at an Oxide Heterointerface via Free Surface Charges
DOI:10.1002/adma.201004673 JN:ADVANCED MATERIALS PY:2011 TC:28 AU: Xie, Yanwu;Bell, Christopher;Hikita, Yasuyuki;Hwang, Harold Y.;
7:3:4:9 Direct imaging of LaAlO3/SrTiO3 nanostructures using piezoresponse force microscopy
DOI:10.1063/1.4831855 JN:APL MATERIALS PY:2013 TC:5 AU: Huang, Mengchen;Bi, Feng;Ryu, Sangwoo;Eom, Chang-Beom;Irvin, Patrick;Levy, Jeremy;
7:3:4:10 Palladium Nanoparticle Enhanced Giant Photoresponse at LaAl3/SrTiO3 Two-Dimensional Electron Gas Heterostructures
DOI:10.1021/nn4029184 JN:ACS NANO PY:2013 TC:14 AU: Chan, Ngai Yui;Zhao, Meng;Wang, Ning;Au, Kit;Wang, Juan;Chan, Lai Wa Helen;Dai, Jiyan;
7:3:4:11 Highly Sensitive Gas Sensor by the LaAlO3/SrTiO3 Heterostructure with Pd Nanoparticle Surface Modulation
DOI:10.1002/adma.201401597 JN:ADVANCED MATERIALS PY:2014 TC:3 AU: Chan, Ngai Yui;Zhao, Meng;Huang, JianXing;Au, Kit;Wong, Man Hon;Yao, Hei Man;Lu, Wei;Chen, Yan;Ong, Chung Wo;Chan, Helen Lai Wa;Dai, Jiyan;
7:3:4:12 Polar Liquid Molecule Induced Transport Property Modulation at LaAlO3/SrTiO3 Heterointerface
DOI:10.1002/adma.201200673 JN:ADVANCED MATERIALS PY:2012 TC:17 AU: Au, K.;Li, D. F.;Chan, N. Y.;Dai, J. Y.;
7:3:4:13 Nonvolatile Resistance Switching on Two-Dimensional Electron Gas
DOI:10.1021/am504354c JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:0 AU: Joung, Jin Gwan;Kim, Shin-Ik;Moon, Seon Young;Kim, Dai-Hong;Gwon, Hyo Jin;Hong, Seong-Hyeon;Chang, Hye Jung;Hwang, Jin-Ha;Kwon, Beom Jin;Kim, Seong Keun;Choi, Ji-Won;Yoon, Seok-Jin;Kang, Chong-Yun;Yoo, Kwang Soo;Kim, Jin-Sang;Baek, Seung-Hyub;
7:3:4:14 Room Temperature Formation of High-Mobility Two-Dimensional Electron Gases at Crystalline Complex Oxide Interfaces
DOI:10.1002/adma.201304634 JN:ADVANCED MATERIALS PY:2014 TC:6 AU: Chen, Y. Z.;Bovet, N.;Kasama, T.;Gao, W. W.;Yazdi, S.;Ma, C.;Pryds, N.;Linderoth, S.;
7:3:4:15 Resistance switching at the interface of LaAlO3/SrTiO3
DOI:10.1063/1.3490646 JN:APPLIED PHYSICS LETTERS PY:2010 TC:16 AU: Chen, Y. Z.;Zhao, J. L.;Sun, J. R.;Pryds, N.;Shen, B. G.;
7:3:4:16 Influence of Gas Ambient on Charge Writing at the LaAlO3/SrTiO3 Heterointerface
DOI:10.1021/am503367f JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:1 AU: Kim, Haeri;Moon, Seon Young;Kim, Shin-Ik;Baek, Seung-Hyub;Jang, Ho Won;Kim, Dong-Wook;
7:3:4:17 Mechanical Tuning of LaAlO3/SrTiO3 Interface Conductivity
DOI:10.1021/acs.nanolett.5b01021 JN:NANO LETTERS PY:2015 TC:0 AU: Sharma, P.;Ryu, S.;Burton, J. D.;Paudel, T. R.;Bark, C. W.;Huang, Z.;Ariando;Tsymbal, E. Y.;Catalan, G.;Eom, C. B.;Gruverman, A.;
7:3:4:18 Controlling interfacial states in amorphous/crystalline LaAlO3/SrTiO3 heterostructures by electric fields
DOI:10.1063/1.4775669 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Christensen, D. V.;Trier, F.;Chen, Y. Z.;Smith, A.;Nygard, J.;Pryds, N.;
7:3:4:19 Enhancing Electron Mobility at the LaAlO3/SrTiO3 Interface by Surface Control
DOI:10.1002/adma.201301798 JN:ADVANCED MATERIALS PY:2013 TC:15 AU: Xie, Yanwu;Bell, Christopher;Hikita, Yasuyuki;Harashima, Satoshi;Hwang, Harold Y.;
7:3:4:20 Non-Volatile Control of 2DEG Conductivity at Oxide Interfaces
DOI:10.1002/adma.201301097 JN:ADVANCED MATERIALS PY:2013 TC:10 AU: Kim, Shin-Ik;Kim, Dai-Hong;Kim, Yoonjung;Moon, Seon Young;Kang, Min-Gyu;Choi, Jong Kwon;Jang, Ho Won;Kim, Seong Keun;Choi, Ji-Won;Yoon, Seok-Jin;Chang, Hye Jung;Kang, Chong-Yun;Lee, Suyoun;Hong, Seong-Hyeon;Kim, Jin-Sang;Baek, Seung-Hyub;
7:3:4:21 Metallic conductance at the interface of tri-color titanate superlattices
DOI:10.1063/1.4841955 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Kareev, M.;Cao, Yanwei;Liu, Xiaoran;Middey, S.;Meyers, D.;Chakhalian, J.;
7:3:4:22 Non-local piezoresponse of LaAlO3/SrTiO3 heterostructures
DOI:10.1063/1.4873125 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Huang, Mengchen;Bi, Feng;Bark, Chung-Wung;Ryu, Sangwoo;Cho, Kwang-Hwan;Eom, Chang-Beom;Levy, Jeremy;
7:3:4:23 Creation of High Mobility Two-Dimensional Electron Gases via Strain Induced Polarization at an Otherwise Nonpolar Complex Oxide Interface
DOI:10.1021/nl504622w JN:NANO LETTERS PY:2015 TC:1 AU: Chen, Yunzhong;Trier, Felix;Kasama, Takeshi;Christensen, Dennis V.;Bovet, Nicolas;Balogh, Zoltan I.;Li, Han;Thyden, Karl Tor Sune;Zhang, Wei;Yazdi, Sadegh;Norby, Poul;Pryds, Nini;Linderoth, Soren;
7:3:4:24 Controlling the conductivity of amorphous LaAlO3/SrTiO3 interfaces by in-situ application of an electric field during fabrication
DOI:10.1063/1.4815989 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Trier, F.;Amoruso, S.;Christensen, D. V.;Sambri, A.;Chen, Y. Z.;Wang, X.;Stamate, E.;Bruzzese, R.;Pryds, N.;
7:3:4:25 Electrically induced colossal capacitance enhancement in LaAlO3/SrTiO3 heterostructures
DOI:10.1038/am.2013.48 JN:NPG ASIA MATERIALS PY:2013 TC:2 AU: Wu, Shuxiang;Wu, Guangheng;Qing, Jian;Zhou, Xiang;Bao, Dinghua;Yang, Guowei;Li, Shuwei;
7:3:4:26 Ferroelectric Control of the Conduction at the LaAlO3/SrTiO3 Heterointerface
DOI:10.1002/adma.201300757 JN:ADVANCED MATERIALS PY:2013 TC:14 AU: Vu Thanh Tra;Chen, Jhih-Wei;Huang, Po-Cheng;Huang, Bo-Chao;Cao, Ye;Yeh, Chao-Hui;Liu, Heng-Jui;Eliseev, Eugene A.;Morozovska, Anna N.;Lin, Jiunn-Yuan;Chen, Yi-Chun;Chu, Ming-Wen;Chiu, Po-Wen;Chiu, Ya-Ping;Chen, Long-Qing;Wu, Chung-Lin;Chu, Ying-Hao;
7:3:4:27 Nanoscale rectification at the LaAlO3/SrTiO3 interface
DOI:10.1063/1.3459138 JN:APPLIED PHYSICS LETTERS PY:2010 TC:15 AU: Bogorin, Daniela F.;Bark, Chung Wung;Jang, Ho Won;Cen, Cheng;Folkman, Chad M.;Eom, Chang-Beom;Levy, Jeremy;
7:3:4:28 Electromechanical response of amorphous LaAlO3 thin film probed by scanning probe microscopies
DOI:10.1063/1.4889853 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Borowiak, Alexis S.;Baboux, Nicolas;Albertini, David;Vilquin, Bertrand;Saint Girons, Guillaume;Pelloquin, Sylvain;Gautier, Brice;
7:3:4:29 Writing charge into the n-type LaAlO3/SrTiO3 interface: A theoretical study of the H2O kinetics on the top AlO2 surface
DOI:10.1063/1.4772499 JN:APPLIED PHYSICS LETTERS PY:2012 TC:2 AU: Li, Feifei;Liang, Meng;Du, Wenli;Wang, Mei;Feng, Yexin;Hu, Zhenpeng;Zhang, Lixin;Wang, E. G.;
7:3:4:30 Visible light illumination-induced phase transition to the intermediate states between the metallic and insulating states for the LaAlO3/SrTiO3 interfaces
DOI:10.1063/1.4904460 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Lei, Y.;Sun, J. R.;
7:3:4:31 Ferroelectric-like response from the surface of SrTiO3 crystals at high temperatures
DOI:10.1063/1.4895484 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Jyotsna, Shubhra;Arora, Ashima;Sekhon, Jagmeet S.;Sheet, Goutam;
7:3:4:32 Degradation of the interfacial conductivity in LaAlO3/SrTiO3 heterostructures during storage at controlled environments
DOI:10.1016/j.ssi.2012.08.005 JN:SOLID STATE IONICS PY:2013 TC:7 AU: Trier, F.;Christensen, D. V.;Chen, Y. Z.;Smith, A.;Andersen, M. I.;Pryds, N.;
7:3:4:33 Controlling the density of the two-dimensional electron gas at the SrTiO3/LaAlO3 interface
DOI:10.1103/PhysRevB.86.241108 JN:PHYSICAL REVIEW B PY:2012 TC:12 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;
7:3:4:34 Plasma plume effects on the conductivity of amorphous-LaAlO3/SrTiO3 interfaces grown by pulsed laser deposition in O-2 and Ar
DOI:10.1063/1.4727905 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Sambri, A.;Cristensen, D. V.;Trier, F.;Chen, Y. Z.;Amoruso, S.;Pryds, N.;Bruzzese, R.;Wang, X.;
7:3:4:35 Nano-patterning of the electron gas at the LaAlO3/SrTiO3 interface using low-energy ion beam irradiation
DOI:10.1063/1.4807785 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Aurino, Pier Paolo;Kalabukhov, Alexey;Tuzla, Nikolina;Olsson, Eva;Claeson, Tord;Winkler, Dag;
7:3:4:36 Gigahertz-frequency operation of a LaAlO3/SrTiO3-based nanotransistor
DOI:10.1063/1.4795725 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Irvin, P.;Huang, M.;Wong, F. J.;Sanders, T. D.;Suzuki, Y.;Levy, J.;
7:3:4:37 Electronic Reconstruction at the Isopolar LaTiO3/LaFeO3 Interface: An X-Ray Photoemission and Density-Functional Theory Study
DOI:10.1103/PhysRevLett.113.237402 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Kleibeuker, J. E.;Zhong, Z.;Nishikawa, H.;Gabel, J.;Mueller, A.;Pfaff, F.;Sing, M.;Held, K.;Claessen, R.;Koster, G.;Rijnders, G.;
7:3:4:38 Capacitance-voltage analysis of LaAlO3/SrTiO3 heterostructures
DOI:10.1063/1.4798334 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Kim, Seong Keun;Kim, Shin-Ik;Hwang, Jin-Ha;Kim, Jin-Sang;Baek, Seung-Hyub;
7:3:4:39 Tunable conductivity at LaAlO3/SrxCa1-xTiO3 (0 <= x <= 1) heterointerfaces
DOI:10.1063/1.4773986 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Moon, Seon Young;Kim, Dai-Hong;Chang, Hye Jung;Choi, Jong Kwon;Kang, Chong-Yun;Choi, Heon Jin;Hong, Seong-Hyeon;Baek, Seung-Hyub;Kim, Jin-Sang;Jang, Ho Won;
7:3:4:40 Tunable atomic force microscopy bias lithography on electron beam induced carbonaceous platforms
DOI:10.1063/1.4821271 JN:AIP ADVANCES PY:2013 TC:2 AU: Kurra, Narendra;
7:3:4:41 Broadband Terahertz Generation and Detection at 10 nm Scale
DOI:10.1021/nl401219v JN:NANO LETTERS PY:2013 TC:9 AU: Ma, Yanjun;Huang, Mengchen;Ryu, Sangwoo;Bark, Chung Wung;Eom, Chang-Beom;Irvin, Patrick;Levy, Jeremy;
7:3:4:42 Thermal activation and quantum field emission in a sketch-based oxide nanotransistor
DOI:10.1088/0957-4484/21/47/475201 JN:NANOTECHNOLOGY PY:2010 TC:4 AU: Cen, Cheng;Bogorin, Daniela F.;Levy, Jeremy;
7:3:4:43 Grain boundary barrier modification due to coupling effect of crystal polar field and water molecular dipole in ZnO-based structures
DOI:10.1063/1.4884942 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Ji, Xu;Zhu, Yuan;Chen, Mingming;Su, Longxing;Chen, Anqi;Zhao, Chengchun;Gui, Xuchun;Xiang, Rong;Huang, Feng;Tang, Zikang;
7:3:4:44 'Water-cycle' mechanism for writing and erasing nanostructures at the LaAlO3/SrTiO3 interface (vol 97, 173110, 2010)
DOI:10.1063/1.4712046 JN:APPLIED PHYSICS LETTERS PY:2012 TC:0 AU: Bi, Feng;Bogorin, Daniela F.;Cen, Cheng;Bark, Chung Wung;Park, Jae-Wan;Eom, Chang-Beom;Levy, Jeremy;
7:3:5:1 Crystalline Oxides on Silicon
DOI:10.1002/adma.200904306 JN:ADVANCED MATERIALS PY:2010 TC:81 AU: Reiner, James W.;Kolpak, Alexie M.;Segal, Yaron;Garrity, Kevin F.;Ismail-Beigi, Sohrab;Ahn, Charles H.;Walker, Fred J.;
7:3:5:2 Interface-Induced Polarization and Inhibition of Ferroelectricity in Epitaxial SrTiO3/Si
DOI:10.1103/PhysRevLett.105.217601 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:23 AU: Kolpak, A. M.;Walker, F. J.;Reiner, J. W.;Segal, Y.;Su, D.;Sawicki, M. S.;Broadbridge, C. C.;Zhang, Z.;Zhu, Y.;Ahn, C. H.;Ismail-Beigi, S.;
7:3:5:3 Band alignment and electronic structure of the anatase TiO2/SrTiO3(001) heterostructure integrated on Si(001)
DOI:10.1103/PhysRevB.86.075301 JN:PHYSICAL REVIEW B PY:2012 TC:10 AU: Seo, Hosung;Posadas, Agham B.;Mitra, Chandrima;Kvit, Alexander V.;Ramdani, Jamal;Demkov, Alexander A.;
7:3:5:4 Epitaxial integration of ferromagnetic correlated oxide LaCoO3 with Si (100)
DOI:10.1063/1.3549301 JN:APPLIED PHYSICS LETTERS PY:2011 TC:26 AU: Posadas, A.;Berg, M.;Seo, H.;de Lozanne, A.;Demkov, A. A.;Smith, D. J.;Kirk, A. P.;Zhernokletov, D.;Wallace, R. M.;
7:3:5:5 Strain relaxation in single crystal SrTiO3 grown on Si (001) by molecular beam epitaxy
DOI:10.1063/1.3695998 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:18 AU: Choi, Miri;Posadas, Agham;Dargis, Rytis;Shih, Chih-Kang;Demkov, Alexander A.;Triyoso, Dina H.;Theodore, N. David;Dubourdieu, Catherine;Bruley, John;Jordan-Sweet, Jean;
7:3:5:6 Structural study and ferroelectricity of epitaxial BaTiO3 films on silicon grown by molecular beam epitaxy
DOI:10.1063/1.4902165 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:3 AU: Mazet, L.;Bachelet, R.;Louahadj, L.;Albertini, D.;Gautier, B.;Cours, R.;Schamm-Chardon, S.;Saint-Girons, G.;Dubourdieu, C.;
7:3:5:7 Epitaxial integration of perovskite-based multifunctional oxides on silicon
DOI:10.1016/j.actamat.2012.09.073 JN:ACTA MATERIALIA PY:2013 TC:13 AU: Baek, Seung-Hyub;Eom, Chang-Beom;
7:3:5:8 Incorporation of La in epitaxial SrTiO3 thin films grown by atomic layer deposition on SrTiO3-buffered Si (001) substrates
DOI:10.1063/1.4883767 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: McDaniel, Martin D.;Posadas, Agham;Ngo, Thong Q.;Karako, Christine M.;Bruley, John;Frank, Martin M.;Narayanan, Vijay;Demkov, Alexander A.;Ekerdt, John G.;
7:3:5:9 Growth and characterization of epitaxial anatase TiO2(001) on SrTiO3-buffered Si(001) using atomic layer deposition
DOI:10.1016/j.tsf.2012.06.061 JN:THIN SOLID FILMS PY:2012 TC:14 AU: McDaniel, M. D.;Posadas, A.;Wang, T.;Demkov, A. A.;Ekerdt, J. G.;
7:3:5:10 The atomic structure and polarization of strained SrTiO3/Si
DOI:10.1063/1.3529460 JN:APPLIED PHYSICS LETTERS PY:2010 TC:10 AU: Kumah, D. P.;Reiner, J. W.;Segal, Y.;Kolpak, A. M.;Zhang, Z.;Su, D.;Zhu, Y.;Sawicki, M. S.;Broadbridge, C. C.;Ahn, C. H.;Walker, F. J.;
7:3:5:11 Epitaxial strontium titanate films grown by atomic layer deposition on SrTiO3-buffered Si(001) substrates
DOI:10.1116/1.4770291 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A PY:2013 TC:10 AU: McDaniel, Martin D.;Posadas, Agham;Ngo, Thong Q.;Dhamdhere, Ajit;Smith, David J.;Demkov, Alexander A.;Ekerdt, John G.;
7:3:5:12 Combined in-situ photoemission spectroscopy and density functional theory of the Sr Zintl template for oxide heteroepitaxy on Si(001)
DOI:10.1116/1.4807716 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2013 TC:0 AU: Seo, Hosung;Choi, Miri;Posadas, Agham B.;Hatch, Richard C.;Demkov, Alexander A.;
7:3:5:13 Atomic and electronic structure of the ferroelectric BaTiO3/Ge(001) interface
DOI:10.1063/1.4883883 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Fredrickson, Kurt D.;Ponath, Patrick;Posadas, Agham B.;McCartney, Martha R.;Aoki, Toshihiro;Smith, David J.;Demkov, Alexander A.;
7:3:5:14 Ultra-flat BaTiO3 epitaxial films on Si(001) with large out-of-plane polarization
DOI:10.1063/1.4798246 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Scigaj, M.;Dix, N.;Fina, I.;Bachelet, R.;Warot-Fonrose, B.;Fontcuberta, J.;Sanchez, F.;
7:3:5:15 Charge transfer in Sr Zintl template on Si(001)
DOI:10.1063/1.4788916 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Choi, Miri;Posadas, Agham B.;Seo, Hosung;Hatch, Richard C.;Demkov, Alexander A.;
7:3:5:16 Atomic layer deposition of photoactive CoO/SrTiO3 and CoO/TiO2 on Si(001) for visible light driven photoelectrochemical water oxidation
DOI:10.1063/1.4819106 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Ngo, Thong Q.;Posadas, Agham;Seo, Hosung;Hoang, Son;McDaniel, Martin D.;Utess, Dirk;Triyoso, Dina H.;Mullins, C. Buddie;Demkov, Alexander A.;Ekerdt, John G.;
7:3:5:17 Enhanced critical temperature in epitaxial ferroelectric Pb(Zr0.2Ti0.8)O-3 thin films on silicon
DOI:10.1063/1.3532110 JN:APPLIED PHYSICS LETTERS PY:2011 TC:7 AU: Sambri, A.;Gariglio, S.;Torres-Pardo, A.;Triscone, J. -M.;Stephan, O.;Reiner, J. W.;Ahn, C. H.;
7:3:5:18 Epitaxial c-axis oriented BaTiO3 thin films on SrTiO3-buffered Si(001) by atomic layer deposition
DOI:10.1063/1.4867469 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Ngo, Thong Q.;Posadas, Agham B.;McDaniel, Martin D.;Hu, Chengqing;Bruley, John;Yu, Edward T.;Demkov, Alexander A.;Ekerdt, John G.;
7:3:5:19 Thermodynamic stability and growth kinetics of epitaxial SrTiO3 on silicon
DOI:10.1103/PhysRevB.83.165318 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Kolpak, A. M.;Ismail-Beigi, S.;
7:3:5:20 Interface structure and film polarization in epitaxial SrTiO3/Si(001)
DOI:10.1103/PhysRevB.85.195318 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Kolpak, A. M.;Ismail-Beigi, S.;
7:3:5:21 Critical differences in the surface electronic structure of Ge(001) and Si(001): Ab initio theory and angle-resolved photoemission spectroscopy
DOI:10.1103/PhysRevB.89.115318 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Seo, Hosung;Hatch, Richard C.;Ponath, Patrick;Choi, Miri;Posadas, Agham B.;Demkov, Alexander A.;
7:3:5:22 CoFe2O4/buffer layer ultrathin heterostructures on Si(001)
DOI:10.1063/1.3651386 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:7 AU: Bachelet, R.;de Coux, P.;Warot-Fonrose, B.;Skumryev, V.;Fontcuberta, J.;Sanchez, F.;
7:3:5:23 Epitaxial growth of LaAlO3 on SrTiO3-buffered Si (001) substrates by atomic layer deposition
DOI:10.1016/j.jcrysgro.2012.10.032 JN:JOURNAL OF CRYSTAL GROWTH PY:2013 TC:8 AU: Ngo, Thong Q.;Posadas, Agham;McDaniel, Martin D.;Ferrer, Domingo A.;Bruley, John;Breslin, Chris;Demkov, Alexander A.;Ekerdt, John G.;
7:3:5:24 Structure of SrTiO3 Films on Si
DOI:10.1103/PhysRevLett.108.166101 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:5 AU: Hellberg, C. Stephen;Andersen, Kristopher E.;Li, Hao;Ryan, P. J.;Woicik, J. C.;
7:3:5:25 Formation and atomic structure of ordered Sr-induced nanostrips on Ge(100)
DOI:10.1103/PhysRevB.89.155319 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Lukanov, Boris R.;Garrity, Kevin F.;Ismail-Beigi, Sohrab;Altman, Eric I.;
7:3:5:26 Piezoelectric force microscopy of crystalline oxide-semiconductor heterostructures
DOI:10.1063/1.4750243 JN:APPLIED PHYSICS LETTERS PY:2012 TC:0 AU: Marshall, M. S. J.;Kumah, D. P.;Reiner, J. W.;Baddorf, A. P.;Ahn, C. H.;Walker, F. J.;
7:3:5:27 Ferroelectric Pb(Zr,Ti)O-3 epitaxial layers on GaAs
DOI:10.1063/1.4831738 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Louahadj, L.;Le Bourdais, D.;Largeau, L.;Agnus, G.;Mazet, L.;Bachelet, R.;Regreny, P.;Albertini, D.;Pillard, V.;Dubourdieu, C.;Gautier, B.;Lecoeur, P.;Saint-Girons, G.;
7:3:5:28 Epitaxial ferromagnetic oxide thin films on silicon with atomically sharp interfaces
DOI:10.1063/1.4887349 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: de Coux, P.;Bachelet, R.;Warot-Fonrose, B.;Skumryev, V.;Lupina, L.;Niu, G.;Schroeder, T.;Fontcuberta, J.;Sanchez, F.;
7:3:5:29 Ferroelectric functionality in SrTiO3/Si heterojunctions
DOI:10.1063/1.4828887 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Yu, H. L.;Wu, Y. Z.;Jiang, X. F.;Cai, M. Q.;Gu, L. P.;Yang, G. W.;
7:3:5:30 Growth and interfacial properties of epitaxial oxides on semiconductors: ab initio insights
DOI:10.1007/s10853-012-6425-z JN:JOURNAL OF MATERIALS SCIENCE PY:2012 TC:4 AU: Garrity, Kevin F.;Kolpak, Alexie M.;Ismail-Beigi, Sohrab;
7:3:5:31 Deciphering the atomic structure of a complex Sr/Ge (100) phase via scanning tunneling microscopy and first-principles calculations
DOI:10.1103/PhysRevB.85.195316 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Lukanov, Boris;Garrity, Kevin;Ismail-Beigi, Sohrab;Altman, Eric I.;
7:3:5:32 Using Zintl-Klemm intermetallics in oxide-semiconductor heteroepitaxy
DOI:10.1063/1.3685508 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Demkov, A. A.;Seo, H.;Zhang, X.;Ramdani, J.;
7:3:5:33 Growth of epitaxial oxides on silicon using atomic layer deposition: Crystallization and annealing of TiO2 on SrTiO3-buffered Si(001)
DOI:10.1116/1.4734311 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2012 TC:6 AU: McDaniel, Martin D.;Posadas, Agham;Ngo, Thong Q.;Dhamdhere, Ajit;Smith, David J.;Demkov, Alexander A.;Ekerdt, John G.;
7:3:5:34 First-principles study of Zintl aluminide SrAl2
DOI:10.1103/PhysRevB.85.195462 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Slepko, Alexander;Demkov, Alexander A.;
7:3:5:35 Pulsed laser deposition of SrTiO3 on a H-terminated Si substrate
DOI:10.1039/c3tc30913d JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2013 TC:7 AU: Spreitzer, Matjaz;Egoavil, Ricardo;Verbeeck, Jo;Blank, Dave H. A.;Rijnders, Guus;
7:3:5:36 Controlling tetragonality and crystalline orientation in BaTiO3 nano-layers grown on Si
DOI:10.1088/0957-4484/24/28/285701 JN:NANOTECHNOLOGY PY:2013 TC:11 AU: Abel, S.;Sousa, M.;Rossel, C.;Caimi, D.;Rossell, M. D.;Erni, R.;Fompeyrine, J.;Marchiori, C.;
7:3:5:37 Prediction of stable ferroelectricity in epitaxial BaTiO3 on Si
DOI:10.1063/1.4751848 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Yu, H. L.;Zhang, H. B.;Jiang, X. F.;Yang, G. W.;
7:3:5:38 Fabrication of Sr silicate buffer layer on Si(100) substrate by pulsed laser deposition using a SrO target
DOI:10.1116/1.4886972 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A PY:2014 TC:1 AU: Imanaka, Atsuhiro;Sasaki, Tsubasa;Hotta, Yasushi;Satoh, Shin-ichi;
7:3:5:39 Formation of alkaline-earth template layers on Ge(100) for oxide heteroepitaxy: Self-organization of ordered islands and trenches
DOI:10.1103/PhysRevB.84.075330 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Lukanov, B. R.;Reiner, J. W.;Walker, F. J.;Ahn, C. H.;Altman, E. I.;
7:3:5:40 Epitaxial Zintl aluminide SrAl4 grown on a LaAlO3 substrate
DOI:10.1103/PhysRevB.88.045314 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Schlipf, Lukas;Slepko, Alexander;Posadas, Agham B.;Seinige, Heidi;Dhamdhere, Ajit;Tsoi, Maxim;Smith, David J.;Demkov, Alexander A.;
7:3:5:41 Electrochemical Monitoring of TiO2 Atomic Layer Deposition by Chronoamperometry and Scanning Electrochemical Microscopy
DOI:10.1021/cm401635v JN:CHEMISTRY OF MATERIALS PY:2013 TC:6 AU: Satpati, Ashis K.;Arroyo-Curras, Netzahualcoyotl;Ji, Li;Yu, Edward T.;Bard, Allen J.;
7:3:5:42 Dependence of silicon oxidation channel on distribution of surface electrons at initial stage of oxide growth on Si(001)
DOI:10.1063/1.4825366 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Han, Han;Che, J. G.;
7:3:5:43 Atomic structure of Sr-induced reconstructions on the Si(100) surface
DOI:10.1063/1.3554829 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: He, Jiehui;Zhang, Guanhua;Guo, Jiandong;Guo, Qinlin;Wu, Kehui;
7:3:5:44 Formation of single-orientation epitaxial islands of TiSi(2) on Si(001) using Sr passivation
DOI:10.1116/1.3579598 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2011 TC:1 AU: Posadas, A.;Dargis, R.;Choi, M. R.;Slepko, A.;Demkov, A. A.;Kim, J. J.;Smith, D. J.;
7:3:5:45 Impact of thermal treatment upon morphology and crystallinity of strontium titanate films deposited by atomic layer deposition
DOI:10.1116/1.3534018 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2011 TC:4 AU: Popovici, Mihaela;Van Elshocht, Sven;Menou, Nicolas;Favia, Paola;Bender, Hugo;Rosseel, Erik;Swerts, Johan;Adelmann, Christoph;Vrancken, Christa;Moussa, Alain;Tielens, Hilde;Tomida, Kazuyuki;Pawlak, Malgorzata;Kaczer, Ben;Schoofs, Geert;Vandervorst, Wilfried;Wouters, Dirk J.;Kittl, Jorge A.;
7:3:5:46 Preparation of a clean Ge(001) surface using oxygen plasma cleaning
DOI:10.1116/1.4798390 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2013 TC:12 AU: Ponath, Patrick;Posadas, Agham B.;Hatch, Richard C.;Demkov, Alexander A.;
7:3:5:47 Ferroelectricity in strained Ca0.5Sr0.5TiO3 from first principles
DOI:10.1103/PhysRevB.82.024112 JN:PHYSICAL REVIEW B PY:2010 TC:2 AU: Ashman, Christopher R.;Hellberg, C. Stephen;Halilov, Samed;
7:3:5:48 Valence electron energy-loss spectroscopy of ultrathin SrTiO3 films grown on silicon (100) single crystal
DOI:10.1063/1.3364144 JN:APPLIED PHYSICS LETTERS PY:2010 TC:3 AU: Su, Dong;Yang, Bo;Jiang, Nan;Sawicki, M.;Broadbridge, C.;Couillard, M.;Reiner, J. W.;Walker, F. J.;Ahn, C. H.;Zhu, Yimei;
7:3:5:49 Orientation control of epitaxial Ge thin films growth on SrTiO3 (100) by ultrahigh vacuum sputtering
DOI:10.1016/j.tsf.2012.03.037 JN:THIN SOLID FILMS PY:2012 TC:1 AU: Deng, Wensheng;Yang, Ming;Chai, Jianwei;Wong, Ten It;Du, Anyan;Ng, Chee Mang;Feng, Yuanping;Wang, Shijie;
7:3:6:1 Enhancing the electron mobility of SrTiO3 with strain
DOI:10.1063/1.3571447 JN:APPLIED PHYSICS LETTERS PY:2011 TC:31 AU: Jalan, Bharat;Allen, S. James;Beltz, Glenn E.;Moetakef, Pouya;Stemmer, Susanne;
7:3:6:2 Electronic transport in doped SrTiO3: Conduction mechanisms and potential applications
DOI:10.1103/PhysRevB.81.155110 JN:PHYSICAL REVIEW B PY:2010 TC:30 AU: Spinelli, A.;Torija, M. A.;Liu, C.;Jan, C.;Leighton, C.;
7:3:6:3 Structure and correlation effects in semiconducting SrTiO3
DOI:10.1103/PhysRevB.81.235109 JN:PHYSICAL REVIEW B PY:2010 TC:27 AU: Chang, Young Jun;Bostwick, Aaron;Kim, Yong Su;Horn, Karsten;Rotenberg, Eli;
7:3:6:4 Large Seebeck coefficients and thermoelectric power factor of La-doped SrTiO3 thin films
DOI:10.1063/1.3471398 JN:APPLIED PHYSICS LETTERS PY:2010 TC:32 AU: Jalan, Bharat;Stemmer, Susanne;
7:3:6:5 Density functional theory and experimental study of the electronic structure and transport properties of La, V, Nb, and Ta doped SrTiO3
DOI:10.1063/1.4770360 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:7 AU: Baniecki, J. D.;Ishii, M.;Aso, H.;Kurihara, K.;Ricinschi, Dan;
7:3:6:6 Modeling of the cubic and antiferrodistortive phases of SrTiO3 with screened hybrid density functional theory
DOI:10.1103/PhysRevB.84.115122 JN:PHYSICAL REVIEW B PY:2011 TC:19 AU: El-Mellouhi, Fedwa;Brothers, Edward N.;Lucero, Melissa J.;Scuseria, Gustavo E.;
7:3:6:7 Structural phase transitions of the metal oxide perovskites SrTiO3, LaAlO3, and LaTiO3 studied with a screened hybrid functional
DOI:10.1103/PhysRevB.87.035107 JN:PHYSICAL REVIEW B PY:2013 TC:9 AU: El-Mellouhi, Fedwa;Brothers, Edward N.;Lucero, Melissa J.;Bulik, Ireneusz W.;Scuseria, Gustavo E.;
7:3:6:8 Enhancing the electron mobility via delta-doping in SrTiO3
DOI:10.1063/1.3524198 JN:APPLIED PHYSICS LETTERS PY:2010 TC:22 AU: Kozuka, Y.;Kim, M.;Ohta, H.;Hikita, Y.;Bell, C.;Hwang, H. Y.;
7:3:6:9 Strain effects on the electronic structure of SrTiO3: Toward high electron mobilities
DOI:10.1103/PhysRevB.84.201304 JN:PHYSICAL REVIEW B PY:2011 TC:20 AU: Janotti, A.;Steiauf, D.;Van de Walle, C. G.;
7:3:6:10 Dimensional crossover of polaron dynamics in Nb:SrTiO3/SrTiO3 superlattices: Possible mechanism of thermopower enhancement
DOI:10.1103/PhysRevB.82.024301 JN:PHYSICAL REVIEW B PY:2010 TC:15 AU: Choi, Woo Seok;Ohta, Hiromichi;Moon, Soon Jae;Lee, Yun Sang;Noh, Tae Won;
7:3:6:11 Structural, optical, and electrical properties of strained La-doped SrTiO3 films
DOI:10.1063/1.4891225 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:7 AU: Choi, Miri;Posadas, Agham B.;Rodriguez, Cesar A.;O'Hara, Andrew;Seinige, Heidi;Kellock, Andrew J.;Frank, Martin M.;Tsoi, Maxim;Zollner, Stefan;Narayanan, Vijay;Demkov, Alexander A.;
7:3:6:12 Electronic structure of delta-doped La:SrTiO3 layers by hard x-ray photoelectron spectroscopy
DOI:10.1063/1.4731642 JN:APPLIED PHYSICS LETTERS PY:2012 TC:10 AU: Kaiser, A. M.;Gray, A. X.;Conti, G.;Jalan, B.;Kajdos, A. P.;Gloskovskii, A.;Ueda, S.;Yamashita, Y.;Kobayashi, K.;Drube, W.;Stemmer, S.;Fadley, C. S.;
7:3:6:13 Seebeck effect in the conducting LaAlO3/SrTiO3 interface
DOI:10.1103/PhysRevB.81.085414 JN:PHYSICAL REVIEW B PY:2010 TC:15 AU: Pallecchi, I.;Codda, M.;d'Agliano, E. Galleani;Marre, D.;Caviglia, A. D.;Reyren, N.;Gariglio, S.;Triscone, J. -M.;
7:3:6:14 Observation of Electrically-Inactive Interstitials in Nb-Doped SrTiO3
DOI:10.1021/nn401101y JN:ACS NANO PY:2013 TC:5 AU: Jeong, Jong Seok;Ambwani, Palak;Jalan, Bharat;Leighton, Chris;Mkhoyan, K. Andre;
7:3:6:15 Electronic transport behavior of off-stoichiometric La and Nb doped SrxTiyO3-delta epitaxial thin films and donor doped single-crystalline SrTiO3
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7:3:6:16 Thermopower in quantum confined La-doped SrTiO3 epitaxial heterostructures
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7:3:6:17 Tunable two-dimensional or three-dimensional electron gases by submonolayer La doping of SrTiO3
DOI:10.1103/PhysRevB.83.193106 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Ong, P. V.;Lee, Jaichan;Pickett, Warren E.;
7:3:6:18 Doping-induced dimensional crossover and thermopower burst in Nb-doped SrTiO3 superlattices
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7:3:6:19 Uniaxial strain induced band splitting in semiconducting SrTiO3
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7:3:6:20 Thermopower Enhancement by Fractional Layer Control in 2D Oxide Superlattices
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7:3:6:21 Effect of oxygen vacancy distribution on the thermoelectric properties of La-doped SrTiO3 epitaxial thin films
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7:3:6:22 Epitaxial Cr on n-SrTiO3(001)-An ideal Ohmic contact
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7:3:6:23 Atomic and electronic surface structures of dopants in oxides: STM and XPS of Nb- and La-doped SrTiO3(001)
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7:3:6:24 La-doped SrTiO3 films with large cryogenic thermoelectric power factors
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7:3:6:25 La doped SrTiO3 thin films on SrLaAlO4 (001) as transparent conductor
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7:3:6:26 Intrinsic Mobility Limiting Mechanisms in Lanthanum-Doped Strontium Titanate
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7:3:6:27 Tuning the electronic effective mass in double-doped SrTiO3
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7:3:6:28 Ultralow Contact Resistance at an Epitaxial Metal/Oxide Heterojunction Through Interstitial Site Doping
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7:3:6:29 First-principles modeling of the thermoelectric properties of SrTiO3/SrRuO3 superlattices
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7:3:6:30 Effects of doping on the lattice parameter of SrTiO3
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7:3:6:31 High Temperature Thermoelectric Properties of Strontium Titanate Thin Films with Oxygen Vacancy and Niobium Doping
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7:3:6:32 An Epitaxial Transparent Conducting Perovskite Oxide: Double-Doped SrTiO3
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7:3:6:33 Thermoelectric Properties of Strontium Titanate Superlattices Incorporating Niobium Oxide Nanolayers
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7:3:6:34 Critical Doping for the Onset of a Two-Band Superconducting Ground State in SrTiO3-delta
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7:3:6:35 Giant thermopower and figure of merit of semiconducting polaronic nanolayers
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7:3:6:36 Density functional theory and experimental study of the electronic structure and transport properties of La, V, Nb, and Ta doped SrTiO3 (vol 113, 013701, 2013)
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7:3:6:37 Modeling of the cubic and antiferrodistortive phases of SrTiO3 with screened hybrid density functional theory (vol 84, 115122, 2011)
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7:3:7:1 Interface Ferromagnetism and Orbital Reconstruction in BiFeO3-La0.7Sr0.3MnO3 Heterostructures
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7:3:7:2 Full Electric Control of Exchange Bias
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7:3:7:3 Electronic and Magnetic Reconstructions in La0.7Sr0.3MnO3/SrTiO3 Heterostructures: A Case of Enhanced Interlayer Coupling Controlled by the Interface
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7:3:7:4 Room Temperature Electrical Manipulation of Giant Magnetoresistance in Spin Valves Exchange-Biased with BiFeO3
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7:3:7:5 Magnetoelectric coupling at the interface of BiFeO3/La0.7Sr0.3MnO3 multilayers
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7:3:7:6 Uniaxial Magnetic Anisotropy in La0.7Sr0.3MnO3 Thin Films Induced by Multiferroic BiFeO3 with Striped Ferroelectric Domains
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7:3:7:7 Magnetic interaction at an interface between manganite and other transition metal oxides
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7:3:7:8 Effect of magnetic field on ferroelectric properties of BiFeO3/La5/8Ca3/8MnO3 epitaxial heterostructures
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7:3:7:9 Signatures of a Two-Dimensional Ferromagnetic Electron Gas at the La0.7Sr0.3MnO3/SrTiO3 Interface Arising From Orbital Reconstruction
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7:3:7:10 Exchange coupling with the multiferroic compound BiFeO3 in antiferromagnetic multidomain films and single-domain crystals
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7:3:7:11 Exchange-bias effect at La0.75Sr0.25MnO3/LaNiO3 interfaces
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7:3:7:12 Ultrathin Limit of Exchange Bias Coupling at Oxide Multiferroic/Ferromagnetic Interfaces
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7:3:7:13 Effects of magnetic electrode on the ferroelectric properties in heteroepitaxial BiFeO3/La0.625Ca0.375MnO3 thin films
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7:3:7:14 Exchange bias effect in epitaxial La0.67Ca0.33MnO3/SrMnO3 thin film structure
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7:3:7:15 Giant magnetodielectric effect in Terfenol-D/PZT magnetoelectric laminate composite
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7:3:7:16 Observation of intriguing exchange bias in BiFeO3 thin films
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7:3:7:17 Tunable dielectric and ferroelectric properties in heteroepitaxial PbZr0.52Ti0.48O3/La0.625Ca0.375MnO3 thin films
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7:3:7:18 Tuning the Competition between Ferromagnetism and Antiferromagnetism in a Half-Doped Manganite through Magnetoelectric Coupling
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7:3:7:19 All-Manganite Tunnel Junctions with Interface-Induced Barrier Magnetism
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7:3:7:20 Photo-carrier control of exchange bias in BiFeO3/La2/3Sr1/3MnO3 thin films
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7:3:7:21 Exchange bias in La(0.7S)r(0.3)MnO(3)/NiO and LaMnO3/NiO interfaces
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7:3:7:22 Interface Magnetism in Epitaxial BiFeO3-La0.7Sr0.3MnO3 Heterostructures Integrated on Si(100)
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7:3:7:23 Electric-field-controlled antiferromagnetic domains in epitaxial BiFeO3 thin films probed by neutron diffraction
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7:3:7:24 Induced Magnetization in La0.7Sr0.3MnO3/BiFeO3 Superlattices
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7:3:7:25 Uncompensated spins in exchange-biased BiFeO3/gamma-Fe2O3 core/shell-like thin films
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7:3:7:26 Colossal magnetocapacitance effect in BiFeO3/La5/8Ca3/8MnO3 epitaxial films
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7:3:7:27 Deconvoluting reversal modes in exchange-biased nanodots
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7:3:7:28 Dynamic magnetic interaction in La2/3Sr1/3MnO3/BiFeO3 heterostructure
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7:3:7:29 Interface-induced room-temperature multiferroicity in BaTiO3
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7:3:7:30 Magnetodielectric Effect and Tunable Dielectric Properties of LaMn(1-x)Fe(x)O(3)
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7:3:7:31 Element-specific depth profile of magnetism and stoichiometry at the La0.67Sr0.33MnO3/BiFeO3 interface
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7:3:7:32 Room-Temperature Ferroelectric Resistive Switching in Ultrathin Pb(Zr0.2Ti0.8)O-3 Films (vol 5, pg 6032, 2011)
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7:3:7:33 Magnetoelectric effect and critical thickness for ferroelectricity in Co/BaTiO3/Co multiferroic tunnel junctions
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7:3:7:34 Reversible electric control of exchange bias in a multiferroic field-effect device
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7:3:8:1 Surface defects and conduction in polar oxide heterostructures
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7:3:8:2 Polarity-induced oxygen vacancies at LaAlO3/SrTiO3 interfaces
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7:3:8:3 Direct k-Space Mapping of the Electronic Structure in an Oxide-Oxide Interface
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7:3:8:4 Localized and delocalized Ti 3d carriers in LaAlO3/SrTiO3 superlattices revealed by resonant inelastic x-ray scattering
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7:3:8:5 Band alignment in LaAlO3/SrTiO3 oxide heterostructures inferred from hard x-ray photoelectron spectroscopy
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7:3:8:6 Hard x-ray photoemission and density functional theory study of the internal electric field in SrTiO3/LaAlO3 oxide heterostructures
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7:3:8:7 Polar-discontinuity-retaining A-site intermixing and vacancies at SrTiO3/LaAlO3 interfaces
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7:3:8:9 Electronic charges and electric potential at LaAlO3/SrTiO3 interfaces studied by core-level photoemission spectroscopy
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7:3:8:10 In-gap electronic structure of LaAlO3-SrTiO3 heterointerfaces investigated by soft x-ray spectroscopy
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7:3:8:11 Doping-dependent band structure of LaAlO3/SrTiO3 interfaces by soft x-ray polarization-controlled resonant angle-resolved photoemission
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7:3:8:13 Origin of insulating behavior of the p-type LaAlO3/SrTiO3 interface: Polarization-induced asymmetric distribution of oxygen vacancies
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7:3:8:14 Formation of oxygen vacancies and charge carriers induced in the n-type interface of a LaAlO3 overlayer on SrTiO3(001)
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7:3:8:15 Electronic charge redistribution in LaAlO3(001) thin films deposited at SrTiO3(001) substrate: First-principles analysis and the role of stoichiometry
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7:3:8:16 Mapping Band Alignment across Complex Oxide Heterointerfaces
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7:3:8:17 Proposal of a One-Dimensional Electron Gas in the Steps at the LaAlO3-SrTiO3 Interface
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7:3:8:18 Interface Fermi States of LaAlO3/SrTiO3 and Related Heterostructures
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7:3:8:19 Band offsets and density of Ti3+ states probed by x-ray photoemission on LaAlO3/SrTiO3 heterointerfaces and their LaAlO3 and SrTiO3 bulk precursors
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7:3:8:20 Observation of strontium segregation in LaAlO3/SrTiO3 and NdGaO3/SrTiO3 oxide heterostructures by X-ray photoemission spectroscopy
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7:3:8:21 Polarization discontinuity induced two-dimensional electron gas at ZnO/Zn(Mg)O interfaces: A first-principles study
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7:3:8:22 LaAlO3/SrTiO3 oxide heterostructures studied by resonant inelastic x-ray scattering
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7:3:8:23 High tunability of the work function of (001) surface of ReO3 with O-vacancies: First principles analysis
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7:3:8:24 Layer-by-Layer Evolution of a Two-Dimensional Electron Gas Near an Oxide Interface
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7:3:8:25 Orbital-selective charge transfer at oxygen-deficient LaAlO3/SrTiO3(001) interfaces
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7:3:8:26 Tuning the carrier density of LaAlO3/SrTiO3 interfaces by capping La1-xSrxMnO3
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7:3:8:27 Polarization screening and induced carrier density at the interface of LaAlO3 overlayer on SrTiO3 (001)
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7:3:8:28 Digging up bulk band dispersion buried under a passivation layer
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7:3:8:29 Ferroelectric modulation on resonant tunneling through perovskite double-barriers
DOI:10.1063/1.4871277 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Du, Ruifang;Qiu, Xiangbiao;Li, Aidong;Wu, Di;
7:3:8:30 Distribution of electronic reconstruction at the n-type LaAlO3/SrTiO3 interface revealed by hard x-ray photoemission spectroscopy
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7:3:8:31 Influence of SrTiO3 substrate miscut angle on the transport properties of LaAlO3/SrTiO3 interfaces
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7:3:9:1 Lattice distortion effects on topological phases in (LaNiO3)(2)/(LaAlO3)(N) heterostructures grown along the [111] direction
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7:3:9:2 Whither the oxide interface
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7:3:9:3 Topological insulators from complex orbital order in transition-metal oxides heterostructures
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7:3:9:4 Possible interaction-driven topological phases in (111) bilayers of LaNiO3
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7:3:9:5 Electronic structure of (LaNiO3)(2)/(LaAlO3)(N) heterostructures grown along [111]
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7:3:9:6 Ab initio study of Z(2) topological phases in perovskite (111) (SrTiO3)(7)/(SrIrO3)(2) and (KTaO3)(7)/(KPtO3)(2) multilayers
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7:3:9:7 Correlation effects in (111) bilayers of perovskite transition-metal oxides
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7:3:9:8 Epitaxial growth of (111)-oriented LaAlO3/LaNiO3 ultra-thin superlattices
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7:3:9:9 Massive Symmetry Breaking in LaAlO3/SrTiO3(111) Quantum Wells: A Three-Orbital Strongly Correlated Generalization of Graphene
DOI:10.1103/PhysRevLett.111.126804 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:7 AU: Doennig, David;Pickett, Warren E.;Pentcheva, Rossitza;
7:3:9:10 Quantum confinement induced magnetism in LaNiO3-LaMnO3 superlattices
DOI:10.1103/PhysRevB.87.195116 JN:PHYSICAL REVIEW B PY:2013 TC:6 AU: Dong, Shuai;Dagotto, Elbio;
7:3:9:11 First-principles study of polar LaAlO3 (001) surface stabilization by point defects
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7:3:9:12 Surface stability of epitaxial La0.7Sr0.3MnO3 thin films on (111)-oriented SrTiO3
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7:3:9:13 High-temperature multiferroicity and strong magnetocrystalline anisotropy in 3d-5d double perovskites
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7:3:9:14 Possible correlation-driven odd-parity superconductivity in LaNi7/8Co1/8O3 (111) bilayers
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7:3:9:15 Wetting at the BaTiO3/Pt interface
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7:3:9:16 Pattern formation in the dipolar Ising model on a two-dimensional honeycomb lattice
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7:3:9:17 The interface is still the device
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7:3:10:1 Strain-Induced Spin States in Atomically Ordered Cobaltites
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7:3:10:2 Dimensionality Controlled Octahedral Symmetry-Mismatch and Functionalities in Epitaxial LaCoO3/SrTiO3 Heterostructures
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7:3:10:3 Strain-driven spin-state transition and superexchange interaction in LaCoO3: Ab initio study
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7:3:10:4 Atomic-Resolution Imaging of Spin-State Superlattices in Nanopockets within Cobaltite Thin Films
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7:3:10:5 Ferromagnetic insulating state in tensile-strained LaCoO3 thin films from LDA+U calculations
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7:3:10:6 Lattice mismatch accommodation via oxygen vacancy ordering in epitaxial La0.5Sr0.5CoO3-delta thin films
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7:3:10:7 X-ray absorption and magnetic circular dichroism of LaCoO3, La0.7Ce0.3CoO3, and La0.7Sr0.3CoO3 films: Evidence for cobalt-valence-dependent magnetism
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7:3:10:8 Nature of ferromagnetic ordered state in LaCoO3 epitaxial nano-thin film on LaAlO3 substrate
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7:3:10:9 Insulating Ferromagnetic LaCoO3-delta Films: A Phase Induced by Ordering of Oxygen Vacancies
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7:3:10:10 Local atomic and electronic structures of epitaxial strained LaCoO3 thin films
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7:3:10:11 STEM-EELS imaging of complex oxides and interfaces
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7:3:10:12 Unconventional switching behavior in La0.7Sr0.3MnO3/La0.7Sr0.3CoO3 exchange-spring bilayers
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7:3:10:13 Tunnel Conduction in Epitaxial Bilayers of Ferromagnetic LaCoO3/La2/3Sr1/3MnO3 Deposited by a Chemical Solution Method
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7:3:10:14 Coercivity enhancement driven by interfacial magnetic phase separation in SrTiO3(001)/Nd0.5Sr0.5CoO3
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7:3:10:15 Chemically Driven Nanoscopic Magnetic Phase Separation at the SrTiO3(001)/La1-xSrxCoO3 Interface
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7:3:10:16 Nanoscale Spin-State Ordering in LaCoO3 Epitaxial Thin Films
DOI:10.1021/cm5003115 JN:CHEMISTRY OF MATERIALS PY:2014 TC:6 AU: Kwon, Ji-Hwan;Choi, Woo Seok;Kwon, Young-Kyun;Jung, Ranju;Zuo, Jian-Min;Lee, Ho Nyung;Kim, Miyoung;
7:3:10:17 Spin-Orbital Superstructure in Strained Ferrimagnetic Perovskite Cobalt Oxide
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7:3:10:18 Direct real space observation of magneto-electronic inhomogeneity in ultra-thin film La0.5Sr0.5CoO3-delta on SrTiO3(001)
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7:3:10:19 Tuning the electronic structure of SrTiO3/SrFeO3-x superlattices via composition and vacancy control
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7:3:10:20 Strain-Induced Ferromagnetism and Magnetoresistance in Epitaxial Thin Films of LaCoO3 Prepared by Polymer-Assisted Deposition
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7:3:10:21 Interface Magnetic Coupling in Epitaxial Bilayers of La0.92MnO3/LaCoO3 Prepared by Polymer-Assisted Deposition
DOI:10.1021/cm403868y JN:CHEMISTRY OF MATERIALS PY:2014 TC:3 AU: Manuel Vila-Fungueirino, Jose;Rivas-Murias, Beatriz;Rodriguez-Gonzalez, Benito;Rivadulla, Francisco;
7:3:10:22 Thermoelectric and magnetic properties of nanocrystalline La0.7Sr0.3CoO3
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7:3:10:23 Local Oxygen-Vacancy Ordering and Twinned Octahedral Tilting Pattern in the Bi0.81Pb0.19FeO2.905 Cubic Perovskite
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7:3:10:24 Magnetic correlation between La0.7Sr0.3MnO3 and La0.7Sr0.3CoO3 layers in artificial superlattices
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7:3:10:25 Ferrimagnetism in PrCoO3 epitaxial films
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7:3:10:26 The electric field manipulation of magnetization in La1-xSrxCoO3/Pb(Mg1/3Nb2/3)O-3-PbTiO3 heterostructures
DOI:10.1063/1.4871087 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Zhang, Q. M.;Li, Q.;Gao, R. L.;Zhou, W. P.;Wang, L. Y.;Yang, Y. T.;Wang, D. H.;Lv, L. Y.;Du, Y. W.;
7:3:10:27 Realizing in-plane surface diffraction by x-ray multiple-beam diffraction with large incidence angle
DOI:10.1063/1.4901046 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Huang, Xian-Rong;Peng, Ru-Wen;Gog, Thomas;Siddons, D. P.;Assoufid, Lahsen;
7:3:10:28 Ferromagnetism enhanced by structural relaxation of biaxially compressed LaCoO3 films
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7:3:10:29 Ferroelasticity and spin-state transitions of LaCoO3
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7:3:10:30 Growth temperature control of the epitaxy, magnetism, and transport in SrTiO3(001)/La0.5Sr0.5CoO3 thin films
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7:3:10:31 Evolution of the spin-state transition with doping in La1-xSrxCoO3
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7:3:10:32 Microscopic origin of the magnetoelectronic phase separation in Sr-doped LaCoO3
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7:3:10:33 Femtosecond optical reflectivity measurements of lattice-mediated spin repulsions in photoexcited LaCoO3 thin films
DOI:10.1103/PhysRevB.89.035129 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Bielecki, J.;Rata, A. D.;Borjesson, L.;
7:3:10:34 Orbital ordering-driven ferromagnetism in LaCoO3 nanowires
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7:3:10:35 Direct measurement of the low temperature spin state transitions in La1-xSrxCoO3 (0.05 < x < 0.3)
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7:3:10:36 Strong interfacial magnetic coupling in epitaxial bilayers of LaCoO3/LaMnO3 prepared by chemical solution deposition
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7:3:10:37 Electric field manipulation of nonvolatile magnetization in Au/NiO/Pt heterostructure with resistive switching effect
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7:3:11:1 Pulsed laser deposition of SrTiO3/LaGaO3 and SrTiO3/LaAlO3: Plasma plume effects
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7:3:11:2 Conducting interfaces between band insulating oxides: The LaGaO3/SrTiO3 heterostructure
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7:3:11:3 Pulsed laser ablation of complex oxides: The role of congruent ablation and preferential scattering for the film stoichiometry
DOI:10.1063/1.4754112 JN:APPLIED PHYSICS LETTERS PY:2012 TC:13 AU: Wicklein, S.;Sambri, A.;Amoruso, S.;Wang, X.;Bruzzese, R.;Koehl, A.;Dittmann, R.;
7:3:11:4 Oxygen background gas influence on pulsed laser deposition process of LaAlO3 and LaGaO3
DOI:10.1016/j.apsusc.2011.09.078 JN:APPLIED SURFACE SCIENCE PY:2012 TC:10 AU: Amoruso, S.;Aruta, C.;Aurino, P.;Bruzzese, R.;Wang, X.;Granozio, F. Miletto;di Uccio, U. Scotti;
7:3:11:5 Optimization of La(0.7)Ba(0.3)MnO(3-delta) complex oxide laser ablation conditions by plume imaging and optical emission spectroscopy
DOI:10.1063/1.3467770 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:17 AU: Amoruso, S.;Aruta, C.;Bruzzese, R.;Maccariello, D.;Maritato, L.;Granozio, F. Miletto;Orgiani, P.;di Uccio, U. Scotti;Wang, X.;
7:3:11:6 Critical influence of target-to-substrate distance on conductive properties of LaGaO3/SrTiO3 interfaces deposited at 10(-1) mbar oxygen pressure
DOI:10.1063/1.4737650 JN:APPLIED PHYSICS LETTERS PY:2012 TC:11 AU: Aruta, C.;Amoruso, S.;Ausanio, G.;Bruzzese, R.;Di Gennaro, E.;Lanzano, M.;Granozio, F. Miletto;Riaz, Muhammad;Sambri, A.;di Uccio, U. Scotti;Wang, X.;
7:3:11:7 Plasma interactions determine the composition in pulsed laser deposited thin films
DOI:10.1063/1.4895788 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Chen, Jikun;Doebeli, Max;Stender, Dieter;Conder, Kazimierz;Wokaun, Alexander;Schneider, Christof W.;Lippert, Thomas;
7:3:11:8 Substrate heating influence on the deposition rate of oxides during pulsed laser deposition in ambient gas
DOI:10.1063/1.3565157 JN:APPLIED PHYSICS LETTERS PY:2011 TC:12 AU: Amoruso, S.;Aruta, C.;Bruzzese, R.;Wang, X.;di Uccio, U. Scotti;
7:3:11:9 High charge carrier density at the NaTaO3/SrTiO3 hetero-interface
DOI:10.1063/1.3625951 JN:APPLIED PHYSICS LETTERS PY:2011 TC:10 AU: Nazir, S.;Schwingenschloegl, U.;
7:3:11:10 Carrier-number fluctuations in the 2-dimensional electron gas at the LaAlO3/SrTiO3 interface
DOI:10.1063/1.4838637 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Barone, C.;Romeo, F.;Pagano, S.;Di Gennaro, E.;Granozio, F. Miletto;Pallecchi, I.;Marre, D.;di Uccio, U. Scotti;
7:3:11:11 Negative ions: The overlooked species in thin film growth by pulsed laser deposition
DOI:10.1063/1.3660399 JN:APPLIED PHYSICS LETTERS PY:2011 TC:9 AU: Esposito, M.;Bator, M.;Doebeli, M.;Lippert, T.;Schneider, C. W.;Wokaun, A.;
7:3:11:12 High mobility of the strongly confined hole gas in AgTaO3/SrTiO3
DOI:10.1063/1.4719106 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Nazir, S.;Kahaly, M. Upadhyay;Schwingenschloegl, U.;
7:3:11:13 Strain effects on the spin polarized electron gas in ABO(3)/SrTiO3 (A = Pr, Nd and B = Al, Ga) heterostructures
DOI:10.1063/1.4801514 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Nazir, S.;Schwingenschloegl, U.;
7:3:11:14 Charge transfer mechanism for the formation of metallic states at the KTaO3/SrTiO3 interface
DOI:10.1103/PhysRevB.83.113107 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Nazir, S.;Singh, N.;Schwingenschloegl, U.;
7:3:11:15 The metallic interface between the two band insulators LaGaO3 and SrTiO3
DOI:10.1063/1.3604020 JN:APPLIED PHYSICS LETTERS PY:2011 TC:8 AU: Nazir, S.;Singh, N.;Schwingenschloegl, U.;
7:3:11:16 Physical properties of La0.7Ba0.3MnO3-delta complex oxide thin films grown by pulsed laser deposition technique
DOI:10.1063/1.3292588 JN:APPLIED PHYSICS LETTERS PY:2010 TC:11 AU: Orgiani, P.;Ciancio, R.;Galdi, A.;Amoruso, S.;Maritato, L.;
7:3:11:17 Charge modulated interfacial conductivity in SrTiO3-based oxide heterostructures
DOI:10.1063/1.3598391 JN:APPLIED PHYSICS LETTERS PY:2011 TC:4 AU: Chen, Y. Z.;Stamate, E.;Pryds, N.;Sun, J. R.;Shen, B. G.;Linderoth, S.;
7:3:11:18 On the origin of metallic conductivity at the interface of LaAlO3/SrTiO3
DOI:10.1016/j.apsusc.2012.01.117 JN:APPLIED SURFACE SCIENCE PY:2012 TC:5 AU: Chen, Y. Z.;Christensen, D. V.;Trier, F.;Pryds, N.;Smith, A.;Linderoth, S.;
7:3:11:19 Vacancy defects in strontium titanate: Ab initio calculation
DOI:10.1016/j.commatsci.2010.06.045 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2010 TC:14 AU: Djermouni, M.;Zaoui, A.;Kacimi, S.;Bouhafs, B.;
7:3:11:20 Langmuir probe measurements and mass spectrometry of plasma plumes generated by laser ablation of La0.4Ca0.6MnO3
DOI:10.1063/1.4893479 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Chen, Jikun;Lunney, James G.;Lippert, Thomas;Ojeda-G-P, Alejandro;Stender, Dieter;Schneider, Christof W.;Wokaun, Alexander;
7:3:11:21 Influence of an O-2 background gas on the composition and kinetic energies of species in laser induced La0.4Ca0.6MnO3 plasmas
DOI:10.1016/j.apsusc.2012.12.090 JN:APPLIED SURFACE SCIENCE PY:2013 TC:1 AU: Chen, Jikun;Stender, Dieter;Bator, Matthias;Schneider, Christof W.;Lippert, Thomas;Wokaun, Alexander;
7:3:11:22 Vacancy induced metallicity at the CaHfO3/SrTiO3 interface
DOI:10.1063/1.3573808 JN:APPLIED PHYSICS LETTERS PY:2011 TC:6 AU: Nazir, S.;Pulikkotil, J. J.;Singh, N.;Schwingenschloegl, U.;
7:3:11:23 Composition and species evolution in a laser-induced LuMnO3 plasma
DOI:10.1016/j.apsusc.2012.04.024 JN:APPLIED SURFACE SCIENCE PY:2012 TC:3 AU: Bator, Matthias;Hu, Yi;Esposito, Martin;Schneider, Christof W.;Lippert, Thomas;Wokaun, Alexander;
7:3:11:24 Structural and magnetic properties of CoTiO3 thin films on SrTiO3 (001)
DOI:10.1016/j.jmmm.2012.12.017 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:3 AU: Schoofs, Frank;Egilmez, Mehmet;Fix, Thomas;MacManus-Driscoll, Judith L.;Blamire, Mark G.;
7:3:11:25 Investigation of the effect of different oxygen partial pressure to LaAlO3 thin film properties and resistive switching characteristics
DOI:10.1016/j.tsf.2011.04.205 JN:THIN SOLID FILMS PY:2011 TC:11 AU: Liu, Kou-Chen;Tzeng, Wen-Hsien;Chang, Kow-Ming;Huang, Jiun-Jie;Lee, Yun-Ju;Yeh, Ping-Hung;Chen, Pang-Shiu;Lee, Heng-Yuan;Chen, Frederick;Tsai, Ming-Jinn;
7:3:11:26 Imposed quasi-layer-by-layer homoepitaxial growth of SrTiO3 films by large area pulsed laser deposition
DOI:10.1016/j.tsf.2011.04.023 JN:THIN SOLID FILMS PY:2011 TC:5 AU: Chen, Y. Z.;Pryds, N.;
7:3:11:27 Universal origin of unconventional 1/f noise in the weak-localization regime
DOI:10.1103/PhysRevB.87.245113 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Barone, C.;Romeo, F.;Galdi, A.;Orgiani, P.;Maritato, L.;Guarino, A.;Nigro, A.;Pagano, S.;
7:3:11:28 Oxidation of laser-induced plasma species in different background conditions
DOI:10.1016/j.apsusc.2013.01.128 JN:APPLIED SURFACE SCIENCE PY:2013 TC:0 AU: Bator, Matthias;Schneider, Christof W.;Lippert, Thomas;Wokaun, Alexander;
7:3:11:29 LaAlO3/SrTiO3 Epitaxial Heterostructures by Atomic Layer Deposition
DOI:10.1007/s11664-012-1960-6 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2012 TC:5 AU: Sbrockey, Nick M.;Luong, Michael;Gallo, Eric M.;Sloppy, Jennifer D.;Chen, Guannan;Winkler, Christopher R.;Johnson, Stephanie H.;Taheri, Mitra L.;Tompa, Gary S.;Spanier, Jonathan E.;
7:3:11:30 Deposition and x-ray characterization of epitaxial thin films of LaAlO3
DOI:10.1016/j.tsf.2013.10.139 JN:THIN SOLID FILMS PY:2014 TC:0 AU: Sonsteby, Henrik Hovde;Ostreng, Erik;Fjellvag, Helmer;Nilsen, Ola;
7:3:11:31 Optimization of electrical properties of Al/LaAlO3/indium tin oxide capacitor by adjusting oxygen pressures in pulsed laser deposition and applying post-deposition annealing at low temperatures
DOI:10.1016/j.tsf.2013.12.032 JN:THIN SOLID FILMS PY:2014 TC:0 AU: Tsai, Jung-Ruey;Feng, Wen-Sheng;Chien, Po-Hsiu;Liu, Kou-Chen;
7:3:11:32 Conducting interfaces between band insulating oxides: The LaGaO3/SrTiO3 heterostructure (vol 97, 152111, 2010)
DOI:10.1063/1.3514199 JN:APPLIED PHYSICS LETTERS PY:2010 TC:0 AU: Perna, P.;Maccariello, D.;Radovic, M.;di Uccio, U. Scotti;Pallecchi, I.;Codda, M.;Marre, D.;Cantoni, C.;Gazquez, J.;Varela, M.;Pennycook, S. J.;Granozio, F. Miletto;
7:3:12:1 Beyond Condensed Matter Physics on the Nanoscale: The Role of Ionic and Electrochemical Phenomena in the Physical Functionalities of Oxide Materials
DOI:10.1021/nn304930x JN:ACS NANO PY:2012 TC:25 AU: Kalinin, Sergei V.;Borisevich, Albina;Fong, Dillon;
7:3:12:2 Atomic-Scale Compensation Phenomena at Polar Interfaces
DOI:10.1103/PhysRevLett.105.197602 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:34 AU: Chisholm, Matthew F.;Luo, Weidong;Oxley, Mark P.;Pantelides, Sokrates T.;Lee, Ho Nyung;
7:3:12:3 Atomically Resolved Mapping of Polarization and Electric Fields Across Ferroelectric/Oxide Interfaces by Z-contrast Imaging
DOI:10.1002/adma.201004641 JN:ADVANCED MATERIALS PY:2011 TC:35 AU: Chang, Hye Jung;Kalinin, Sergei V.;Morozovska, Anna N.;Huijben, Mark;Chu, Ying-Hao;Yu, Pu;Ramesh, Ramamoorthy;Eliseev, Evgeny A.;Svechnikov, George S.;Pennycook, Stephen J.;Borisevich, Albina Y.;
7:3:12:4 Strain-controlled oxygen vacancy formation and ordering in CaMnO3
DOI:10.1103/PhysRevB.88.054111 JN:PHYSICAL REVIEW B PY:2013 TC:13 AU: Aschauer, Ulrich;Pfenninger, Reto;Selbach, Sverre M.;Grande, Tor;Spaldin, Nicola A.;
7:3:12:5 Interface dipole between two metallic oxides caused by localized oxygen vacancies
DOI:10.1103/PhysRevB.86.140102 JN:PHYSICAL REVIEW B PY:2012 TC:9 AU: Borisevich, Albina Y.;Lupini, Andrew R.;He, Jun;Eliseev, Eugene A.;Morozovska, Anna N.;Svechnikov, George S.;Yu, Pu;Chu, Ying-Hao;Ramesh, Ramamoorthy;Pantelides, Sokrates T.;Kalinin, Sergei V.;Pennycook, Stephen J.;
7:3:12:6 Oxygen-Vacancy-Induced Polar Behavior in (LaFeO3)(2)/(SrFeO3) Superlattices
DOI:10.1021/nl500601d JN:NANO LETTERS PY:2014 TC:3 AU: Mishra, Rohan;Kim, Young-Min;Salafranca, Juan;Kim, Seong Keun;Chang, Seo Hyoung;Bhattacharya, Anand;Fong, Dillon D.;Pennycook, Stephen J.;Pantelides, Sokrates T.;Borisevich, Albina Y.;
7:3:12:7 Direct observation of ferroelectric field effect and vacancy-controlled screening at the BiFeO3/LaxSr1-xMnO3 interface
DOI:10.1038/NMAT4058 JN:NATURE MATERIALS PY:2014 TC:6 AU: Kim, Young-Min;Morozovska, Anna;Eliseev, Eugene;Oxley, Mark P.;Mishra, Rohan;Selbach, Sverre M.;Grande, Tor;Pantelides, S. T.;Kalinin, Sergei V.;Borisevich, Albina Y.;
7:3:12:8 Structural, electronic and thermoelectric behaviour of CaMnO3 and CaMnO(3-delta)
DOI:10.1039/c4ta01514b JN:JOURNAL OF MATERIALS CHEMISTRY A PY:2014 TC:2 AU: Molinari, Marco;Tompsett, David A.;Parker, Stephen C.;Azough, Feridoon;Freer, Robert;
7:3:12:9 Exploring Mesoscopic Physics of Vacancy-Ordered Systems through Atomic Scale Observations of Topological Defects
DOI:10.1103/PhysRevLett.109.065702 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:4 AU: Borisevich, A. Y.;Morozovska, A. N.;Kim, Young-Min;Leonard, D.;Oxley, M. P.;Biegalski, M. D.;Eliseev, E. A.;Kalinin, S. V.;
7:3:12:10 Probing oxygen vacancy concentration and homogeneity in solid-oxide fuel-cell cathode materials on the subunit-cell level
DOI:10.1038/NMAT3393 JN:NATURE MATERIALS PY:2012 TC:47 AU: Kim, Young-Min;He, Jun;Biegalski, Michael D.;Ambaye, Hailemariam;Lauter, Valeria;Christen, Hans M.;Pantelides, Sokrates T.;Pennycook, Stephen J.;Kalinin, Sergei V.;Borisevich, Albina Y.;
7:3:12:11 Epitaxial Oxygen Getter for a Brownmillerite Phase Transformation in Manganite Films
DOI:10.1002/adma.201003581 JN:ADVANCED MATERIALS PY:2011 TC:17 AU: Ferguson, J. D.;Kim, Y.;Kourkoutis, L. Fitting;Vodnick, A.;Woll, A. R.;Muller, D. A.;Brock, J. D.;
7:3:12:12 Oxygen deficiency, vacancy clustering and ionic transport in (La,Sr)CoO3-delta
DOI:10.1016/j.ssi.2010.03.029 JN:SOLID STATE IONICS PY:2011 TC:14 AU: Tsipis, E. V.;Naumovich, E. N.;Patrakeev, M. V.;Yaremchenko, A. A.;Marozau, I. P.;Kovalevsky, A. V.;Waerenborgh, J. C.;Kharton, V. V.;
7:3:12:13 Electron-Beam-Induced Perovskite-BrownmilleritePerovskite Structural Phase Transitions in Epitaxial La-2 3 Sr-1/3 MnO3 Films
DOI:10.1002/adma.201305656 JN:ADVANCED MATERIALS PY:2014 TC:3 AU: Yao, Lide;Majumdar, Sayani;Akaslompolo, Laura;Inkinen, Sampo;Qin, Qi Hang;van Dijken, Sebastiaan;
7:3:12:14 PbO-deficient PbTiO3: Mass transport, structural effects and possibility for intrinsic screening of the ferroelectric polarization
DOI:10.1063/1.3555336 JN:APPLIED PHYSICS LETTERS PY:2011 TC:7 AU: Selbach, Sverre M.;Tybell, Thomas;Einarsrud, Mari-Ann;Grande, Tor;
7:3:12:15 Local crystallography analysis for atomically resolved scanning tunneling microscopy images
DOI:10.1088/0957-4484/24/41/415707 JN:NANOTECHNOLOGY PY:2013 TC:1 AU: Lin, Wenzhi;Li, Qing;Belianinov, Alexei;Sales, Brian C.;Sefat, Athena;Gai, Zheng;Baddorf, Arthur P.;Pan, Minghu;Jesse, Stephen;Kalinin, Sergei V.;
7:3:12:16 The influences of firing temperatures and excess PbO on the crystal structure and microstructure of (Pb-0.25 Sr-0.75)TiO3 ceramics
DOI:10.1007/s10853-011-5641-2 JN:JOURNAL OF MATERIALS SCIENCE PY:2011 TC:3 AU: Sumang, Rattiphorn;Bongkarn, Theerachai;
7:3:12:17 Influence of strain on the electronic structure of the TbMnO3/SrTiO3 epitaxial interface
DOI:10.1063/1.3663218 JN:APPLIED PHYSICS LETTERS PY:2011 TC:3 AU: Venkatesan, S.;Doumlblinger, M.;Daumont, C.;Kooi, B.;Noheda, B.;De Hosson, J. T. M.;Scheu, C.;
7:3:12:18 Influences of Excess Bi2O3 and K2CO3 on Crystal Structure, Microstructure and Dielectric Properties of Bismuth Potassium Titanate Ceramics
DOI:10.1080/10584587.2013.852891 JN:INTEGRATED FERROELECTRICS PY:2013 TC:0 AU: Wicheanrat, Chamaiporn;Laowanidwatana, Artid;Bongkarn, Theerachai;
7:3:12:19 Thermoelectric properties of CaMnO3 films obtained by soft chemistry synthesis
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7:3:13:1 2D Atomic Mapping of Oxidation States in Transition Metal Oxides by Scanning Transmission Electron Microscopy and Electron Energy-Loss Spectroscopy
DOI:10.1103/PhysRevLett.107.107602 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:38 AU: Tan, Haiyan;Turner, Stuart;Yucelen, Emrah;Verbeeck, Jo;Van Tendeloo, Gustaaf;
7:3:13:2 Atomic-resolution chemical mapping using energy-dispersive x-ray spectroscopy
DOI:10.1103/PhysRevB.81.100101 JN:PHYSICAL REVIEW B PY:2010 TC:46 AU: D'Alfonso, A. J.;Freitag, B.;Klenov, D.;Allen, L. J.;
7:3:13:3 Atomic-resolution chemical imaging of oxygen local bonding environments by electron energy loss spectroscopy
DOI:10.1063/1.4737208 JN:APPLIED PHYSICS LETTERS PY:2012 TC:15 AU: Mundy, Julia A.;Mao, Qingyun;Brooks, Charles M.;Schlom, Darrell G.;Muller, David A.;
7:3:13:4 Emergent Chemical Mapping at Atomic-Column Resolution by Energy-Dispersive X-Ray Spectroscopy in an Aberration-Corrected Electron Microscope
DOI:10.1103/PhysRevLett.104.196101 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:30 AU: Chu, M. -W.;Liou, S. C.;Chang, C. -P.;Choa, F. -S.;Chen, C. H.;
7:3:13:5 Atomic-resolution spectroscopic imaging of oxide interfaces
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7:3:13:6 Site-specific mapping of transition metal oxygen coordination in complex oxides
DOI:10.1063/1.4770512 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Turner, S.;Egoavil, R.;Batuk, M.;Abakumov, A. A.;Hadermann, J.;Verbeeck, J.;Van Tendeloo, G.;
7:3:13:7 The structure determination of Al20Cu2Mn3 by near atomic resolution chemical mapping
DOI:10.1016/j.jallcom.2014.02.125 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:1 AU: Shen, Zhenju;Liu, Chunhui;Ding, Qingqing;Wang, Shuangbao;Wei, Xiao;Chen, Lu;Li, Jixue;Zhang, Ze;
7:3:13:8 Quantitative Elemental Mapping at Atomic Resolution Using X-Ray Spectroscopy
DOI:10.1103/PhysRevLett.112.085501 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:3 AU: Kothleitner, G.;Neish, M. J.;Lugg, N. R.;Findlay, S. D.;Grogger, W.;Hofer, F.;Allen, L. J.;
7:3:13:9 Atomic Resolution Coordination Mapping in Ca2FeCoO5 Brownmillerite by Spatially Resolved Electron Energy-Loss Spectroscopy
DOI:10.1021/cm300640g JN:CHEMISTRY OF MATERIALS PY:2012 TC:14 AU: Turner, Stuart;Verbeeck, Johan;Ramezanipour, Farshid;Greedan, John E.;Van Tendeloo, Gustaaf;Botton, Gianluigi A.;
7:3:13:10 Spectroscopic imaging in electron microscopy
DOI:10.1557/mrs.2011.332 JN:MRS BULLETIN PY:2012 TC:7 AU: Pennycook, Stephen J.;Colliex, Christian;
7:3:13:11 Detecting the direction of oxygen bonding in SrTiO3
DOI:10.1103/PhysRevB.88.115120 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Neish, M. J.;Lugg, N. R.;Findlay, S. D.;Haruta, M.;Kimoto, K.;Allen, L. J.;
7:3:13:12 Chemical Mapping and Quantification at the Atomic Scale by Scanning Transmission Electron Microscopy
DOI:10.1021/nn4023558 JN:ACS NANO PY:2013 TC:8 AU: Chu, Ming-Wen;Chen, Cheng Hsuan;
7:3:13:13 Removing the effects of elastic and thermal scattering from electron energy-loss spectroscopic data
DOI:10.1063/1.4765657 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Lugg, N. R.;Haruta, M.;Neish, M. J.;Findlay, S. D.;Mizoguchi, T.;Kimoto, K.;Allen, L. J.;
7:3:13:14 Contribution of thermally scattered electrons to atomic resolution elemental maps
DOI:10.1103/PhysRevB.86.024108 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Forbes, B. D.;D'Alfonso, A. J.;Williams, R. E. A.;Srinivasan, R.;Fraser, H. L.;McComb, D. W.;Freitag, B.;Klenov, D. O.;Allen, L. J.;
7:3:13:15 Single atom identification by energy dispersive x-ray spectroscopy
DOI:10.1063/1.3701598 JN:APPLIED PHYSICS LETTERS PY:2012 TC:14 AU: Lovejoy, T. C.;Ramasse, Q. M.;Falke, M.;Kaeppel, A.;Terborg, R.;Zan, R.;Dellby, N.;Krivanek, O. L.;
7:3:13:16 Chemical mapping at atomic resolution using energy-dispersive x-ray spectroscopy
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7:3:13:17 Quantum mechanical model for phonon excitation in electron diffraction and imaging using a Born-Oppenheimer approximation
DOI:10.1103/PhysRevB.82.104103 JN:PHYSICAL REVIEW B PY:2010 TC:16 AU: Forbes, B. D.;Martin, A. V.;Findlay, S. D.;D'Alfonso, A. J.;Allen, L. J.;
7:3:13:18 Towards artifact-free atomic-resolution elemental mapping with electron energy-loss spectroscopy
DOI:10.1063/1.4823704 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Zhu, Y.;Soukiassian, A.;Schlom, D. G.;Muller, D. A.;Dwyer, C.;
7:3:13:19 Atomic-scale chemical quantification of oxide interfaces using energy-dispersive X-ray spectroscopy
DOI:10.1063/1.4804184 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Lu, Ping;Xiong, Jie;Van Benthem, Mark;Jia, Quanxi;
7:3:13:20 Atomic-scale observation of a graded polar discontinuity and a localized two-dimensional electron density at an insulating oxide interface
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7:3:13:21 Structure of the InAlAs/InP interface by atomically resolved energy dispersive spectroscopy
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7:3:13:22 Atomic resolution chemical bond analysis of oxygen in La2CuO4
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7:3:13:23 Effect of local coordination of Mn on Mn-L-2,L-3 edge electron energy loss spectrum
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7:3:13:24 Visualization of hybridization states with atomic resolution using electron energy loss spectroscopy mapping
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7:3:13:25 Fast Imaging with Inelastically Scattered Electrons by Off-Axis Chromatic Confocal Electron Microscopy
DOI:10.1103/PhysRevLett.112.166101 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Zheng, Changlin;Zhu, Ye;Lazar, Sorin;Etheridge, Joanne;
7:3:13:26 Fano resonance in atomic-resolution spectroscopic imaging of solids
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7:3:13:27 Three-Dimensional Valency Mapping in Ceria Nanocrystals
DOI:10.1021/nn5047053 JN:ACS NANO PY:2014 TC:4 AU: Goris, Bart;Turner, Stuart;Bals, Sara;Van Tendeloo, Gustaaf;
7:3:13:28 Nanoscale Ordering in Oxygen Deficient Quintuple Perovskite Sm2-epsilon Ba3+epsilon Fe5O15-delta: Implication for Magnetism and Oxygen Stoichiometry
DOI:10.1021/cm503276p JN:CHEMISTRY OF MATERIALS PY:2014 TC:4 AU: Volkova, Nadezhda E.;Lebedev, Oleg I.;Gavrilova, Ludmila Ya.;Turner, Stuart;Gauquelin, Nicolas;Seikh, Md Motin;Caignaert, Vincent;Cherepanov, Vladimir A.;Raveau, Bernard;Van Tendeloo, Gustaaf;
7:3:13:29 Comment on "2D Atomic Mapping of Oxidation States in Transition Metal Oxides by Scanning Transmission Electron Microscopy and Electron Energy-Loss Spectroscopy"
DOI:10.1103/PhysRevLett.108.259701 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:2 AU: Ahmad, E. A.;Mallia, G.;Kramer, D.;Tileli, V.;Kucernak, A. R.;Harrison, N. M.;
7:3:13:30 Soft x-ray absorption spectroscopy study of Mo-rich SrMn1-xMoxO3 (x >= 0.5)
DOI:10.1103/PhysRevB.83.073103 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Hwang, J. H.;Kim, D. H.;Kang, J. -S.;Kolesnik, S.;Chmaissem, O.;Mais, J.;Dabrowski, B.;Baik, J.;Shin, H. J.;Lee, Jieun;Kim, Bongjae;Min, B. I.;
7:3:13:31 Comment on "2D Atomic Mapping of Oxidation States in Transition Metal Oxides by Scanning Transmission Electron Microscopy and Electron Energy-Loss Spectroscopy" Reply
DOI:10.1103/PhysRevLett.108.259702 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:0 AU: Tan, Haiyan;Turner, Stuart;Yucelen, Emrah;Verbeeck, Jo;Van Tendeloo, Gustaaf;
7:3:13:32 Achromatic Elemental Mapping Beyond the Nanoscale in the Transmission Electron Microscope
DOI:10.1103/PhysRevLett.110.185507 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:4 AU: Urban, K. W.;Mayer, J.;Jinschek, J. R.;Neish, M. J.;Lugg, N. R.;Allen, L. J.;
7:3:14:1 Electrostatic carrier doping of GdTiO3/SrTiO3 interfaces
DOI:10.1063/1.3669402 JN:APPLIED PHYSICS LETTERS PY:2011 TC:59 AU: Moetakef, Pouya;Cain, Tyler A.;Ouellette, Daniel G.;Zhang, Jack Y.;Klenov, Dmitri O.;Janotti, Anderson;Van de Walle, Chris G.;Rajan, Siddharth;Allen, S. James;Stemmer, Susanne;
7:3:14:2 Correlation between metal-insulator transitions and structural distortions in high-electron-density SrTiO3 quantum wells
DOI:10.1103/PhysRevB.89.075140 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Zhang, Jack Y.;Jackson, Clayton A.;Chen, Ru;Raghavan, Santosh;Moetakef, Pouya;Balents, Leon;Stemmer, Susanne;
7:3:14:3 Transport in ferromagnetic GdTiO3/SrTiO3 heterostructures
DOI:10.1063/1.3568894 JN:APPLIED PHYSICS LETTERS PY:2011 TC:25 AU: Moetakef, Pouya;Zhang, Jack Y.;Kozhanov, Alexander;Jalan, Bharat;Seshadri, Ram;Allen, S. James;Stemmer, Susanne;
7:3:14:4 Symmetry Lowering in Extreme-Electron-Density Perovskite Quantum Wells
DOI:10.1103/PhysRevLett.110.256401 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:11 AU: Zhang, Jack Y.;Hwang, Jinwoo;Raghavan, Santosh;Stemmer, Susanne;
7:3:14:5 Toward an artificial Mott insulator: Correlations in confined high-density electron liquids in SrTiO3
DOI:10.1103/PhysRevB.86.201102 JN:PHYSICAL REVIEW B PY:2012 TC:15 AU: Moetakef, Pouya;Jackson, Clayton A.;Hwang, Jinwoo;Balents, Leon;Allen, S. James;Stemmer, Susanne;
7:3:14:6 Interface-induced magnetism in perovskite quantum wells
DOI:10.1103/PhysRevB.88.180403 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Jackson, Clayton A.;Stemmer, Susanne;
7:3:14:7 Stoichiometry-driven metal-to-insulator transition in NdTiO3/SrTiO3 heterostructures
DOI:10.1063/1.4866867 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Xu, Peng;Phelan, Daniel;Jeong, Jong Seok;Mkhoyan, K. Andre;Jalan, Bharat;
7:3:14:8 Growth window and effect of substrate symmetry in hybrid molecular beam epitaxy of a Mott insulating rare earth titanate
DOI:10.1116/1.4804180 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A PY:2013 TC:20 AU: Moetakef, Pouya;Zhang, Jack Y.;Raghavan, Santosh;Kajdos, Adam P.;Stemmer, Susanne;
7:3:14:9 Growth and properties of GdTiO3 films prepared by hybrid molecular beam epitaxy
DOI:10.1016/j.jcrysgro.2012.06.052 JN:JOURNAL OF CRYSTAL GROWTH PY:2012 TC:11 AU: Moetakef, Pouya;Ouellette, Daniel G.;Zhang, Jack Y.;Cain, Tyler A.;Allen, S. James;Stemmer, Susanne;
7:3:14:10 Seebeck coefficient of a quantum confined, high-electron-density electron gas in SrTiO3
DOI:10.1063/1.4704363 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Cain, Tyler A.;Lee, SungBin;Moetakef, Pouya;Balents, Leon;Stemmer, Susanne;Allen, S. James;
7:3:14:11 Extreme charge density SrTiO3/GdTiO3 heterostructure field effect transistors
DOI:10.1063/1.4811273 JN:APPLIED PHYSICS LETTERS PY:2013 TC:11 AU: Boucherit, M.;Shoron, O. F.;Cain, T. A.;Jackson, C. A.;Stemmer, S.;Rajan, S.;
7:3:14:12 Dimer Mott insulator in an oxide heterostructure
DOI:10.1103/PhysRevB.87.161119 JN:PHYSICAL REVIEW B PY:2013 TC:10 AU: Chen, Ru;Lee, SungBin;Balents, Leon;
7:3:14:13 Modulation of over 10(14) cm(-2) electrons in SrTiO3/GdTiO3 heterostructures
DOI:10.1063/1.4875796 JN:APPLIED PHYSICS LETTERS PY:2014 TC:4 AU: Boucherit, M.;Shoron, O.;Jackson, C. A.;Cain, T. A.;Buffon, M. L. C.;Polchinski, C.;Stemmer, S.;Rajan, S.;
7:3:14:14 A high density two-dimensional electron gas in an oxide heterostructure on Si (001)
DOI:10.1063/1.4902433 JN:APL MATERIALS PY:2014 TC:4 AU: Jin, E. N.;Kornblum, L.;Kumah, D. P.;Zou, K.;Broadbridge, C. C.;Ngai, J. H.;Ahn, C. H.;Walker, F. J.;
7:3:14:15 Magnetism and local structure in low-dimensional Mott insulating GdTiO3
DOI:10.1103/PhysRevB.88.121104 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Zhang, Jack Y.;Jackson, Clayton A.;Raghavan, Santosh;Hwang, Jinwoo;Stemmer, Susanne;
7:3:14:16 Electron Doping by Charge Transfer at LaFeO3/Sm2CuO4 Epitaxial Interfaces
DOI:10.1002/adma.201203483 JN:ADVANCED MATERIALS PY:2013 TC:1 AU: Bruno, Flavio Y.;Schmidt, Rainer;Varela, Maria;Garcia-Barriocanal, Javier;Rivera-Calzada, Alberto;Cuellar, Fabian A.;Leon, Carlos;Thakur, Pardeep;Cezar, Julio C.;Brookes, Nicholas B.;Garcia-Hernandez, Mar;Dagotto, Elbio;Pennycook, Stephen J.;Santamaria, Jacobo;
7:3:14:17 Band offsets in complex-oxide thin films and heterostructures of SrTiO3/LaNiO3 and SrTiO3/GdTiO3 by soft and hard X-ray photoelectron spectroscopy
DOI:10.1063/1.4795612 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:8 AU: Conti, G.;Kaiser, A. M.;Gray, A. X.;Nemsak, S.;Palsson, G. K.;Son, J.;Moetakef, P.;Janotti, A.;Bjaalie, L.;Conlon, C. S.;Eiteneer, D.;Greer, A. A.;Keqi, A.;Rattanachata, A.;Saw, A. Y.;Bostwick, A.;Stolte, W. C.;Gloskovskii, A.;Drube, W.;Ueda, S.;Kobata, M.;Kobayashi, K.;Van de Walle, C. G.;Stemmer, S.;Schneider, C. M.;Fadley, C. S.;
7:3:14:18 Modulation doping to control the high-density electron gas at a polar/non-polar oxide interface
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7:3:14:19 Capacitance-voltage analysis of high-carrier-density SrTiO3/GdTiO3 heterostructures
DOI:10.1063/1.4726263 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Jackson, Clayton A.;Moetakef, Pouya;Allen, S. James;Stemmer, Susanne;
7:3:14:20 Anisotropic thermal properties in orthorhombic perovskites
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7:3:14:21 Formation of orbital-selective electron states in LaTiO3/SrTiO3 superlattices
DOI:10.1103/PhysRevB.87.241101 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Lechermann, Frank;Boehnke, Lewin;Grieger, Daniel;
7:3:14:22 Crossover behavior of the crystal structure and the relation to magnetism in perovskite RTiO3
DOI:10.1103/PhysRevB.82.020401 JN:PHYSICAL REVIEW B PY:2010 TC:4 AU: Takubo, K.;Shimuta, M.;Kim, J. E.;Kato, K.;Takata, M.;Katsufuji, T.;
7:3:14:23 Au-gated SrTiO3 field-effect transistors with large electron concentration and current modulation
DOI:10.1063/1.4896275 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Verma, Amit;Raghavan, Santosh;Stemmer, Susanne;Jena, Debdeep;
7:3:14:24 Structural, magnetic, and electronic properties of GdTiO3 Mott insulator thin films grown by pulsed laser deposition
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7:3:15:1 Epitaxial growth, structure, and intermixing at the LaAlO3/SrTiO3 interface as the film stoichiometry is varied
DOI:10.1103/PhysRevB.83.085408 JN:PHYSICAL REVIEW B PY:2011 TC:36 AU: Qiao, L.;Droubay, T. C.;Varga, T.;Bowden, M. E.;Shutthanandan, V.;Zhu, Z.;Kaspar, T. C.;Chambers, S. A.;
7:3:15:2 Effect of Growth Induced (Non) Stoichiometry on Interfacial Conductance in LaAlO3/SrTiO3
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7:3:15:3 Strain evolution in non-stoichiometric heteroepitaxial thin-film perovskites
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7:3:15:4 Effect of Growth Induced (Non)Stoichiometry on the Structure, Dielectric Response, and Thermal Conductivity of SrTiO3 Thin Films
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7:3:15:5 OXIDE ELECTRONICS Interface takes charge over Si
DOI:10.1038/nmat2965 JN:NATURE MATERIALS PY:2011 TC:36 AU: Schlom, Darrell G.;Mannhart, Jochen;
7:3:15:6 The metallic interface between insulating NdGaO3 and SrTiO3 perovskites
DOI:10.1063/1.4830042 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Li, Chen;Xu, Qinfang;Wen, Zheng;Zhang, Shantao;Li, Aidong;Wu, Di;
7:3:15:7 Effects of Nonequilibrium Growth, Nonstoichiometry, and Film Orientation on the Metal-to-Insulator Transition in NdNiO3 Thin Films
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7:3:15:8 Impact of structural transitions on electron transport at LaAlO3/SrTiO3 heterointerfaces
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7:3:15:9 Stoichiometry control of the electronic properties of the LaAlO3/SrTiO3 heterointerface
DOI:10.1063/1.4812353 JN:APPLIED PHYSICS LETTERS PY:2013 TC:14 AU: Sato, H. K.;Bell, C.;Hikita, Y.;Hwang, H. Y.;
7:3:15:10 Nonstoichiometric material transfer in the pulsed laser deposition of LaAlO3
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7:3:15:11 Structural coupling across the LaAlO3/SrTiO3 interface: High-resolution x-ray diffraction study
DOI:10.1103/PhysRevB.84.205418 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Boschker, J. E.;Folkman, C.;Bark, C. W.;Monsen, A. F.;Folven, E.;Grepstad, J. K.;Wahlstrom, E.;Eom, C. B.;Tybell, T.;
7:3:15:12 Non-conducting interfaces of LaAlO3/SrTiO3 produced in sputter deposition: The role of stoichiometry
DOI:10.1063/1.4798828 JN:APPLIED PHYSICS LETTERS PY:2013 TC:9 AU: Dildar, I. M.;Boltje, D. B.;Hesselberth, M. H. S.;Aarts, J.;Xu, Q.;Zandbergen, H. W.;Harkema, S.;
7:3:15:13 Effect of growth induced (non)stoichiometry on the thermal conductivity, permittivity, and dielectric loss of LaAlO3 films
DOI:10.1063/1.4818718 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Breckenfeld, E.;Wilson, R. B.;Martin, L. W.;
7:3:15:14 Stoichiometry of LaAlO3 films grown on SrTiO3 by pulsed laser deposition
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7:3:15:15 Tunable photovoltaic effect and solar cell performance of self-doped perovskite SrTiO3
DOI:10.1063/1.4766279 JN:AIP ADVANCES PY:2012 TC:6 AU: Jin, K. X.;Li, Y. F.;Wang, Z. L.;Peng, H. Y.;Lin, W. N.;Kyaw, A. K. K.;Jin, Y. L.;Jin, K. J.;Sun, X. W.;Soci, C.;Wu, Tom;
7:3:15:16 Tunability of conduction at the LaAlO3/SrTiO3 heterointerface: Thickness and compositional studies
DOI:10.1063/1.4896778 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Breckenfeld, E.;Bronn, N.;Mason, N.;Martin, L. W.;
7:3:15:17 First-principles prediction of a two dimensional electron gas at the BiFeO3/SrTiO3 interface
DOI:10.1063/1.3624457 JN:APPLIED PHYSICS LETTERS PY:2011 TC:5 AU: Zhang, Zhen;Wu, Ping;Chen, Lang;Wang, Junling;
7:3:15:18 Dominant role of oxygen vacancies in electrical properties of unannealed LaAlO3/SrTiO3 interfaces
DOI:10.1063/1.4863800 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Liu, Z. Q.;Sun, L.;Huang, Z.;Li, C. J.;Zeng, S. W.;Han, K.;Lu, W. M.;Venkatesan, T.;Ariando;
7:3:15:19 Static and ultrafast dynamics of defects of SrTiO3 in LaAlO3/SrTiO3 heterostructures
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7:3:15:20 The surface structure of SrTiO3 at high temperatures under influence of oxygen
DOI:10.1063/1.4864186 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Hesselberth, M. B. S.;van der Molen, S. J.;Aarts, J.;
7:3:15:21 Depth dependence of the structural phase transition of SrTiO3 studied with beta-NMR and grazing incidence x-ray diffraction
DOI:10.1103/PhysRevB.83.224112 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Salman, Z.;Smadella, M.;MacFarlane, W. A.;Patterson, B. D.;Willmott, P. R.;Chow, K. H.;Hossain, M. D.;Saadaoui, H.;Wang, D.;Kiefl, R. F.;
7:3:15:22 Correlation between surface rumpling and structural phase transformation in SrTiO3
DOI:10.1103/PhysRevB.85.115450 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Singh, Surendra;Chien, Te-Yu;Guest, J. R.;Fitzsimmons, M. R.;
7:3:16:1 Single domain to multidomain transition due to in-plane magnetic anisotropy in phase-separated (La0.4Pr0.6)(0.67)Ca0.33MnO3 thin films
DOI:10.1103/PhysRevB.83.064408 JN:PHYSICAL REVIEW B PY:2011 TC:18 AU: Jeen, Hyoungjeen;Biswas, Amlan;
7:3:16:2 Anisotropic-strain-induced antiferromagnetic-insulating state with strong phase instability in epitaxial (La0.8Pr0.2)(0.67)Ca0.33MnO3 films
DOI:10.1063/1.3313937 JN:APPLIED PHYSICS LETTERS PY:2010 TC:20 AU: Zhang, F. H.;Huang, Z.;Gao, G. Y.;Chen, P. F.;Wang, L. F.;Tan, X. L.;Wu, W. B.;
7:3:16:3 Coupling of magnetic field and lattice strain and its impact on electronic phase separation in La0.335Pr0.335Ca0.33MnO3/ferroelectric crystal heterostructures
DOI:10.1063/1.4860415 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Zheng, M.;Li, X. Y.;Yang, M. M.;Zhu, Q. X.;Wang, Y.;Li, X. M.;Shi, X.;Chan, H. L. W.;Li, X. G.;Luo, H. S.;Zheng, R. K.;
7:3:16:4 Neutron scattering-The key characterization tool for nanostructured magnetic materials
DOI:10.1016/j.jmmm.2013.09.028 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:5 AU: Fitzsimmons, M. R.;Schuller, Ivan K.;
7:3:16:5 Magnetic Nonuniformity and Thermal Hysteresis of Magnetism in a Manganite Thin Film
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7:3:16:6 Ultra-sharp oscillatory magneto-resistance in spatially confined La0.3Pr0.4Ca0.3MnO3 epitaxial thin films
DOI:10.1063/1.4900491 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Alagoz, H. S.;Jeon, J.;Boos, R.;Ahangharnejhad, R. H.;Chow, K. H.;Jung, J.;
7:3:16:7 Highly anisotropic resistivities in the double-exchange model for strained manganites
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7:3:16:8 Role of elastic bending stress on magnetism of a manganite thin film studied by polarized neutron reflectometry
DOI:10.1103/PhysRevB.85.214440 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Singh, Surendra;Fitzsimmons, M. R.;Lookman, T.;Jeen, H.;Biswas, A.;Roldan, M. A.;Varela, M.;
7:3:16:9 Electric field driven dynamic percolation in electronically phase separated (La0.4Pr0.6)(0.67)Ca0.33MnO3 thin films
DOI:10.1103/PhysRevB.88.024415 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Jeen, Hyoungjeen;Biswas, Amlan;
7:3:16:10 Temperature dependence of nanometer-size metallic phase texture and its correlation with bulk magnetic and transport properties and defects of a (La0.4Pr0.6)(0.67)Ca0.33MnO3 film
DOI:10.1063/1.4733666 JN:APPLIED PHYSICS LETTERS PY:2012 TC:10 AU: Singh, Surendra;Fitzsimmons, M. R.;Jeen, H.;Biswas, A.;Hawley, M. E.;
7:3:16:11 Asymmetric electroresistance of cluster glass state in manganites
DOI:10.1063/1.4870480 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Lourembam, James;Ding, Junfeng;Bera, Ashok;Lin, Weinan;Wu, Tom;
7:3:16:12 Direct visualization of first-order magnetic transition in La5/8-yPryCa3/8MnO3 (y=0.45) thin films
DOI:10.1103/PhysRevB.87.064412 JN:PHYSICAL REVIEW B PY:2013 TC:6 AU: Rawat, R.;Kushwaha, Pallavi;Mishra, Dileep K.;Sathe, V. G.;
7:3:16:13 Influence of the magnitude and direction of applied elastic stress on the transport properties of (La0.4Pr0.6)(0.67)Ca0.33MnO3 thin films
DOI:10.1063/1.4879282 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Singh, Surendra;Fitzsimmons, M. R.;Jeen, H.;Biswas, A.;
7:3:16:14 Colossal anisotropic resistivity and oriented magnetic domains in strained La0.325Pr0.3Ca0.375MnO3 films
DOI:10.1063/1.4878557 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Jiang, Tao;Yang, Shengwei;Zhou, Haibiao;Liu, Yukuai;Zhao, Wenbo;Feng, Lei;Hou, Yubin;Lu, Qingyou;Li, Xiaoguang;
7:3:16:15 Dynamics of a first-order electronic phase transition in manganites
DOI:10.1103/PhysRevB.83.125125 JN:PHYSICAL REVIEW B PY:2011 TC:11 AU: Ward, T. Z.;Gai, Z.;Guo, H. W.;Yin, L. F.;Shen, J.;
7:3:16:16 Elastically controlled manipulation of the magnetic order parameter and the metal-insulator transition in a manganite thin film
DOI:10.1103/PhysRevB.90.060407 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Singh, Surendra;Fitzsimmons, M. R.;Lookman, T.;Jeen, H.;Biswas, A.;
7:3:16:17 Dependence of negative differential resistance on electronic phase separation in unpatterned manganite films
DOI:10.1063/1.3684806 JN:APPLIED PHYSICS LETTERS PY:2012 TC:9 AU: Ding, J. F.;Jin, K. X.;Zhang, Z.;Wu, T.;
7:3:16:18 Imaging the First-Order Magnetic Transition in La0.35Pr0.275Ca0.375MnO3
DOI:10.1103/PhysRevLett.108.237202 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:10 AU: Burkhardt, Mark H.;Hossain, M. A.;Sarkar, S.;Chuang, Y. -D.;Gonzalez, A. G. Cruz;Doran, A.;Scholl, A.;Young, A. T.;Tahir, N.;Choi, Y. J.;Cheong, S. -W.;Duerr, H. A.;Stoehr, J.;
7:3:16:19 Electrophoretic-like Gating Used To Control Metal-Insulator Transitions in Electronically Phase Separated Manganite Wires
DOI:10.1021/nl4016842 JN:NANO LETTERS PY:2013 TC:10 AU: Guo, Hangwen;Noh, Joo H.;Dong, Shuai;Rack, Philip D.;Gai, Zheng;Xu, Xiaoshan;Dagotto, Elbio;Shen, Jian;Ward, T. Zac;
7:3:16:20 Electronic and magnetic properties of manganite thin films with different compositions and its correlation with transport properties: An X-ray resonant magnetic scattering study
DOI:10.1063/1.4902959 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Singh, Surendra;Freeland, J. W.;Fitzsimmons, M. R.;Jeen, H.;Biswas, A.;
7:3:16:21 Controlling the sharpness of metal-insulator transition in epitaxial (La1-xPrx)(0.67)Ca0.33MnO3 (0 <= x <= 0.35) films
DOI:10.1063/1.4897460 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Chen, Pingfan;Huang, Zhen;Tan, Xuelian;Chen, Binbin;Zhi, Bowen;Gao, Guanyin;Chen, Feng;Wu, Wenbin;
7:3:16:22 Giant in-plane anisotropy in manganite thin films driven by strain-engineered double exchange interaction and electronic phase separation
DOI:10.1063/1.3643442 JN:APPLIED PHYSICS LETTERS PY:2011 TC:4 AU: Lu, C. L.;Wu, Y. Y.;Xia, Z. C.;Yuan, S. L.;Chen, L.;Tian, Z. M.;Liu, J. -M.;Wu, T.;
7:3:16:23 Reentrant low-field magneto-resistance in La0.3Pr0.4Ca0.3MnO3 film due to spatial confinement
DOI:10.1063/1.4869487 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Jeon, J.;Alagoz, H. S.;Boos, R.;Jung, J.;Chow, K. H.;
7:3:16:24 Giant intrinsic tunnel magnetoresistance in manganite thin films etched with antidot arrays
DOI:10.1063/1.4867083 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Li, Hui;Li, Lin;Li, Long;Liang, Haixing;Cheng, Long;Zhai, Xiaofang;Zeng, Changgan;
7:3:16:25 Surface inhomogeneities and the electronic phase separated states in thin films of La0.35Pr0.35Ca0.3MnO3
DOI:10.1063/1.4884679 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Jeon, J.;Alagoz, H. S.;Jung, J.;Chow, K. H.;
7:3:16:26 Stabilization of robust antiferromagnetic insulating phase in Nd1-xSrxMnO3 (x=0.46) by application of biaxial strain
DOI:10.1016/j.tsf.2014.07.018 JN:THIN SOLID FILMS PY:2014 TC:1 AU: Kumar, Dhirendra;Kumar, Satish;Rawat, Rajeev;Choudhary, R. J.;Sathe, V. G.;
7:3:16:27 Multilevel hierarchy of phase separation processes in La5/8-yPryCa3/8MnO3
DOI:10.1103/PhysRevB.84.024425 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Garcia-Munoz, J. L.;Collado, A.;Aranda, M. A. G.;Ritter, C.;
7:3:16:28 Unusual giant anisotropic magnetoresistance in manganite strips
DOI:10.1063/1.4883889 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Chen, Jinjie;Wei, Wengang;Zhang, Kai;Du, Kai;Zhu, Yinyan;Liu, Hao;Yin, Lifeng;Shen, Jian;
7:3:16:29 Fabrication and magnetic properties of single-crystalline La0.33Pr0.34Ca0.33MnO3/MgO nanowires
DOI:10.1063/1.4819828 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Li, Lin;Li, Hui;Zhai, Xiaofang;Zeng, Changgan;
7:3:16:30 Suppression of photovoltaic effect by magnetic field in Pr-0.65(Ca0.75Sr0.25)(0.35)MnO3/Nb:SrTiO3 heterostructure
DOI:10.1063/1.4832331 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Luo, C.;Jin, K. X.;Chen, C. L.;Wu, T.;
7:3:16:31 Highly anisotropic resistivities in the double-exchange model for strained manganites (vol 82, 035118, 2010)
DOI:10.1103/PhysRevB.82.159902 JN:PHYSICAL REVIEW B PY:2010 TC:0 AU: Dong, Shuai;Yunoki, Seiji;Zhang, Xiaotian;Sen, Cengiz;Liu, J. -M.;Dagotto, Elbio;
7:3:16:32 Anomalous phase separation in La0.225Pr0.4Ca0.375MnO3: consequence of temperature and magnetic-field cycles
DOI:10.1007/s00339-011-6284-5 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2011 TC:2 AU: Yan, Z. B.;Liu, J.-M.;
7:3:16:33 Magnetic and charge ordering properties of Bi0.6-x(RE)(x)Ca0.4MnO3 (0.0 <= x <= 0.6) perovskite manganites
DOI:10.1063/1.3675982 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Yadav, Kamlesh;Singh, M. P.;Singh, H. K.;Razavi, F. S.;Varma, G. D.;
7:3:16:34 Dynamic phase separation as revealed by the strong resistance relaxation in epitaxially shear-strained La0.67Ca0.33MnO3/NdGaO3(001) thin-films
DOI:10.1016/j.jmmm.2010.07.003 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:2 AU: Huang, Zhen;Gao, Guanyin;Zhang, Fuheng;Feng, Xianxian;Hu, Ling;Zhao, Xiaoru;Sun, Yuping;Wu, Wenbin;
7:3:16:35 LPCMO nano-templates grown using substrate induced strain
DOI:10.1016/j.mseb.2011.07.016 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2011 TC:0 AU: Dhakal, Tara;Yun, Sunghee;Tosado, Jacob;Margankunte, Naveen;Biswas, Amlan;
7:3:17:1 Evolution of the Interfacial Structure of LaAlO3 on SrTiO3
DOI:10.1103/PhysRevLett.106.036101 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:55 AU: Pauli, S. A.;Leake, S. J.;Delley, B.;Bjoerck, M.;Schneider, C. W.;Schlepuetz, C. M.;Martoccia, D.;Paetel, S.;Mannhart, J.;Willmott, P. R.;
7:3:17:2 Electron Transfer and Ionic Displacements as the Origin of the 2D Electron Gas at the LAO/STO Interface: Direct Measurements with Atomic-Column Spatial Resolution
DOI:10.1002/adma.201200667 JN:ADVANCED MATERIALS PY:2012 TC:42 AU: Cantoni, Claudia;Gazquez, Jaume;Granozio, Fabio Miletto;Oxley, Mark P.;Varela, Maria;Lupini, Andrew R.;Pennycook, Stephen J.;Aruta, Carmela;di Uccio, Umberto Scotti;Perna, Paolo;Maccariello, Davide;
7:3:17:3 Electrostriction at the LaAlO3/SrTiO3 Interface
DOI:10.1103/PhysRevLett.107.056102 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:32 AU: Cancellieri, C.;Fontaine, D.;Gariglio, S.;Reyren, N.;Caviglia, A. D.;Fete, A.;Leake, S. J.;Pauli, S. A.;Willmott, P. R.;Stengel, M.;Ghosez, Ph.;Triscone, J. -M.;
7:3:17:4 Photodoping and in-gap interface states across the metal-insulator transition in LaAlO3/SrTiO3 heterostructures
DOI:10.1103/PhysRevB.86.045127 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Ristic, Z.;Di Capua, R.;Chiarella, F.;De Luca, G. M.;Maggio-Aprile, I.;Radovic, M.;Salluzzo, M.;
7:3:17:5 Conducting and insulating LaAlO3/SrTiO3 interfaces: A comparative surface photovoltage investigation
DOI:10.1063/1.4858376 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Beyreuther, E.;Paparo, D.;Thiessen, A.;Grafstroem, S.;Eng, L. M.;
7:3:17:6 Mixed Dimensionality of Confined Conducting Electrons in the Surface Region of SrTiO3
DOI:10.1103/PhysRevLett.113.086801 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:2 AU: Plumb, N. C.;Salluzzo, M.;Razzoli, E.;Mansson, M.;Falub, M.;Krempasky, J.;Matt, C. E.;Chang, J.;Schulte, M.;Braun, J.;Ebert, H.;Minar, J.;Delley, B.;Zhou, K. -J.;Schmitt, T.;Shi, M.;Mesot, J.;Patthey, L.;Radovic, M.;
7:3:17:7 Structural and Electronic Reconstructions at the LaAlO3/SrTiO3 Interface
DOI:10.1002/adma.201204555 JN:ADVANCED MATERIALS PY:2013 TC:17 AU: Salluzzo, M.;Gariglio, S.;Torrelles, X.;Ristic, Z.;Di Capua, R.;Drnec, J.;Sala, M. Moretti;Ghiringhelli, G.;Felici, R.;Brookes, N. B.;
7:3:17:8 Structural Comparison of n-Type and p-Type LaAlO3/SrTiO3 Interfaces
DOI:10.1103/PhysRevLett.107.036104 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:18 AU: Yamamoto, Ryosuke;Bell, Christopher;Hikita, Yasuyuki;Hwang, Harold Y.;Nakamura, Hiroyuki;Kimura, Tsuyoshi;Wakabayashi, Yusuke;
7:3:17:9 Atomic Layer Engineering of Perovskite Oxides for Chemically Sharp Heterointerfaces
DOI:10.1002/adma.201202691 JN:ADVANCED MATERIALS PY:2012 TC:11 AU: Choi, Woo Seok;Rouleau, Christopher M.;Seo, Sung Seok A.;Luo, Zhenlin;Zhou, Hua;Fister, Timothy T.;Eastman, Jeffrey A.;Fuoss, Paul H.;Fong, Dillon D.;Tischler, Jonathan Z.;Eres, Gyula;Chisholm, Matthew F.;Lee, Ho Nyung;
7:3:17:10 Spectral and spatial distribution of polarization at the LaAlO3/SrTiO3 interface
DOI:10.1103/PhysRevB.83.155405 JN:PHYSICAL REVIEW B PY:2011 TC:15 AU: Rubano, A.;Fiebig, M.;Paparo, D.;Marino, A.;Maccariello, D.;di Uccio, U. Scotti;Granozio, F. Miletto;Marrucci, L.;Richter, C.;Paetel, S.;Mannhart, J.;
7:3:17:11 Observation of a two-dimensional electron gas at the surface of annealed SrTiO3 single crystals by scanning tunneling spectroscopy
DOI:10.1103/PhysRevB.86.155425 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Di Capua, R.;Radovic, M.;De Luca, G. M.;Maggio-Aprile, I.;Granozio, F. Miletto;Plumb, N. C.;Ristic, Z.;di Uccio, U. Scotti;Vaglio, R.;Salluzzo, M.;
7:3:17:12 Potential-well depth at amorphous-LaAlO3/crystalline-SrTiO3 interfaces measured by optical second harmonic generation
DOI:10.1063/1.4886413 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: De Luca, Gabriele;Rubano, Andrea;di Gennaro, Emiliano;Khare, Amit;Granozio, Fabio Miletto;di Uccio, Umberto Scotti;Marrucci, Lorenzo;Paparo, Domenico;
7:3:17:13 First-Principles Characterization of the Critical Thickness for Forming Metallic States in Strained LaAlO3/SrTiO3(001) Heterostructure
DOI:10.1021/am506336w JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:4 AU: Nazir, Safdar;Yang, Kesong;
7:3:17:14 Influence of oxygen pressure and aging on LaAlO3 films grown by pulsed laser deposition on SrTiO3 substrates
DOI:10.1063/1.4866439 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Park, Jihwey;Soh, Yeong-Ah;Aeppli, Gabriel;David, Adrian;Lin, Weinan;Wu, Tom;
7:3:17:15 Influence of atomic termination on the LaAlO3/SrTiO3 interfacial polar rearrangement
DOI:10.1103/PhysRevB.88.035405 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Rubano, A.;Guenter, T.;Fink, T.;Paparo, D.;Marrucci, L.;Cancellieri, C.;Gariglio, S.;Triscone, J. -M.;Fiebig, M.;
7:3:17:16 Crystal-Facet-Dependent Metallization in Electrolyte-Gated Rutile TiO2 Single Crystals
DOI:10.1021/nn403340d JN:ACS NANO PY:2013 TC:8 AU: Schladt, Thomas D.;Graf, Tanja;Aetukuri, Nagaphani B.;Li, Mingyang;Fantini, Andrea;Jiang, Xin;Samant, Mahesh G.;Parkin, Stuart S. P.;
7:3:17:17 Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from second harmonic generation
DOI:10.1103/PhysRevB.86.235418 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;
7:3:17:18 Spectral and spatial distribution of polarization at the LaAlO3/SrTiO3 interface (vol 83, 155405, 2011)
DOI:10.1103/PhysRevB.83.159906 JN:PHYSICAL REVIEW B PY:2011 TC:0 AU: Rubano, A.;Fiebig, M.;Paparo, D.;Marino, A.;Maccariello, D.;di Uccio, U. Scotti;Granozio, F. Miletto;Marrucci, L.;Richter, C.;Paetel, S.;Mannhart, J.;
7:3:17:19 Electronic states at polar/nonpolar interfaces grown on SrTiO3 studied by optical second harmonic generation
DOI:10.1103/PhysRevB.88.245434 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:3:18:1 Identification of A- and B-Site Cation Vacancy Defects in Perovskite Oxide Thin Films
DOI:10.1103/PhysRevLett.105.226102 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:32 AU: Keeble, D. J.;Wicklein, S.;Dittmann, R.;Ravelli, L.;Mackie, R. A.;Egger, W.;
7:3:18:2 Interplay between intrinsic defects, doping, and free carrier concentration in SrTiO3 thin films
DOI:10.1103/PhysRevB.85.195460 JN:PHYSICAL REVIEW B PY:2012 TC:10 AU: Ertekin, Elif;Srinivasan, Varadharajan;Ravichandran, Jayakanth;Rossen, Pim B.;Siemons, Wolter;Majumdar, Arun;Ramesh, Ramamoorthy;Grossman, Jeffrey C.;
7:3:18:3 Defect-Mediated Polarization Switching in Ferroelectrics and Related Materials: From Mesoscopic Mechanisms to Atomistic Control
DOI:10.1002/adma.200900813 JN:ADVANCED MATERIALS PY:2010 TC:29 AU: Kalinin, Sergei V.;Rodriguez, Brian J.;Borisevich, Albina Y.;Baddorf, Arthur P.;Balke, Nina;Chang, Hye Jung;Chen, Long-Qing;Choudhury, Samrat;Jesse, Stephen;Maksymovych, Peter;Nikiforov, Maxim P.;Pennycook, Stephen J.;
7:3:18:4 Nonstoichiometry accommodation in SrTiO3 thin films studied by positron annihilation and electron microscopy
DOI:10.1103/PhysRevB.87.195409 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Keeble, D. J.;Wicklein, S.;Jin, L.;Jia, C. L.;Egger, W.;Dittmann, R.;
7:3:18:5 Surface Octahedral Distortions and Atomic Design of Perovskite Interfaces
DOI:10.1002/adma.201301841 JN:ADVANCED MATERIALS PY:2013 TC:4 AU: Petrov, A. Yu.;Torrelles, X.;Verna, A.;Xu, H.;Cossaro, A.;Pedio, M.;Garcia-Barriocanal, J.;Castro, G. R.;Davidson, B. A.;
7:3:18:6 Thermal conductivity as a metric for the crystalline quality of SrTiO3 epitaxial layers
DOI:10.1063/1.3579993 JN:APPLIED PHYSICS LETTERS PY:2011 TC:22 AU: Oh, Dong-Wook;Ravichandran, Jayakanth;Liang, Chen-Wei;Siemons, Wolter;Jalan, Bharat;Brooks, Charles M.;Huijben, Mark;Schlom, Darrell G.;Stemmer, Susanne;Martin, Lane W.;Majumdar, Arun;Ramesh, Ramamoorthy;Cahill, David G.;
7:3:18:7 Dramatic mobility enhancements in doped SrTiO3 thin films by defect management
DOI:10.1063/1.3457994 JN:APPLIED PHYSICS LETTERS PY:2010 TC:20 AU: Kozuka, Y.;Hikita, Y.;Bell, C.;Hwang, H. Y.;
7:3:18:8 Surface and Defect Structure of Oxide Nanowires on SrTiO3
DOI:10.1103/PhysRevLett.107.086102 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:14 AU: Marshall, Matthew S. J.;Becerra-Toledo, Andres E.;Marks, Laurence D.;Castell, Martin R.;
7:3:18:9 Persistent Photoconductivity in Strontium Titanate
DOI:10.1103/PhysRevLett.111.187403 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:4 AU: Tarun, Marianne C.;Selim, Farida A.;McCluskey, Matthew D.;
7:3:18:10 Identification of vacancy defects in a thin film perovskite oxide
DOI:10.1103/PhysRevB.81.064102 JN:PHYSICAL REVIEW B PY:2010 TC:13 AU: Keeble, D. J.;Mackie, R. A.;Egger, W.;Loewe, B.;Pikart, P.;Hugenschmidt, C.;Jackson, T. J.;
7:3:18:11 Stoichiometry of SrTiO3 films grown by pulsed laser deposition
DOI:10.1063/1.4717984 JN:APPLIED PHYSICS LETTERS PY:2012 TC:8 AU: Liu, G. Z.;Lei, Q. Y.;Xi, X. X.;
7:3:18:12 Suppression of vacancy defects in epitaxial La-doped SrTiO3 films
DOI:10.1063/1.3664398 JN:APPLIED PHYSICS LETTERS PY:2011 TC:11 AU: Keeble, D. J.;Jalan, B.;Ravelli, L.;Egger, W.;Kanda, G.;Stemmer, S.;
7:3:18:13 Controlled cation stoichiometry in pulsed laser deposition-grown BaTiO3 epitaxial thin films with laser fluence
DOI:10.1063/1.3628461 JN:APPLIED PHYSICS LETTERS PY:2011 TC:13 AU: Kan, Daisuke;Shimakawa, Yuichi;
7:3:18:14 Hybrid functional calculations of point defects and hydrogen in SrZrO3
DOI:10.1103/PhysRevB.89.184109 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Weston, L.;Janotti, A.;Cui, X. Y.;Stampfl, C.;Van de Walle, C. G.;
7:3:18:15 Vacancy defects in PbTiO3 and lanthanide-ion-doped PbTiO3: A study of positron lifetimes
DOI:10.1103/PhysRevB.82.024113 JN:PHYSICAL REVIEW B PY:2010 TC:6 AU: Mackie, R. A.;Pelaiz-Barranco, A.;Keeble, D. J.;
7:3:18:16 Delta-doped epitaxial La:SrTiO3 field-effect transistor
DOI:10.1063/1.3600782 JN:APPLIED PHYSICS LETTERS PY:2011 TC:0 AU: Nishio, K.;Matvejeff, M.;Takahashi, R.;Lippmaa, M.;Sumiya, M.;Yoshikawa, H.;Kobayashi, K.;Yamashita, Y.;
7:3:18:17 Structural Characterization of Homoepitaxial SrTiO3 Films Grown by Pulsed Laser Deposition
DOI:10.1080/10584587.2013.780142 JN:INTEGRATED FERROELECTRICS PY:2013 TC:0 AU: Lei, Q. Y.;Liu, G. Z.;Xi, X. X.;
7:3:18:18 Study of defects in an electroresistive Au/La(2/3)Sr(1/3)MnO(3)/SrTiO(3)(001) heterostructure by positron annihilation
DOI:10.1063/1.3631825 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Ferragut, R.;Dupaquier, A.;Brivio, S.;Bertacco, R.;Egger, W.;
7:3:18:19 Confined high-mobility electron gas at the Ruddlesden-Popper type heterointerfaces
DOI:10.1063/1.3552681 JN:APPLIED PHYSICS LETTERS PY:2011 TC:1 AU: Matvejeff, M.;Nishio, K.;Takahashi, R.;Lippmaa, M.;
7:3:18:20 Interplay of point defects, biaxial strain, and thermal conductivity in homoepitaxial SrTiO3 thin films
DOI:10.1063/1.3682300 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Wiedigen, S.;Kramer, T.;Feuchter, M.;Knorr, I.;Nee, N.;Hoffmann, J.;Kamlah, M.;Volkert, C. A.;Jooss, Ch;
7:3:18:21 Incorporation of lanthanide ions in lead titanate
DOI:10.1007/s10853-011-5900-2 JN:JOURNAL OF MATERIALS SCIENCE PY:2012 TC:3 AU: Pelaiz-Barranco, A.;Mendez-Gonzalez, Y.;Arnold, D. C.;Saint-Gregoire, P.;Keeble, D. J.;
7:3:18:22 Quantitative determination of energy enhanced interlayer transport in pulsed laser deposition of SrTiO3
DOI:10.1103/PhysRevB.84.195467 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Eres, Gyula;Tischler, J. Z.;Rouleau, C. M.;Zschack, P.;Christen, H. M.;Larson, B. C.;
7:3:18:23 Thermally stimulated processes in samarium-modified lead titanate ferroelectric ceramics
DOI:10.1007/s00339-012-7421-5 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:0 AU: Pelaiz-Barranco, A.;Garcia-Wong, A. C.;Gonzalez-Abreu, Y.;Gagou, Y.;Saint-Gregoire, P.;
7:3:18:24 Interstitial and substitutional zirconium in SrTiO3
DOI:10.1016/j.commatsci.2011.08.023 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2012 TC:5 AU: Jaffe, John E.;Van Ginhoven, Renee M.;Jiang, Weilin;
7:3:18:25 Surface and Defect Structure of Oxide Nanowires on SrTiO3 (vol 107, 086102, 2011)
DOI:10.1103/PhysRevLett.107.139901 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:0 AU: Marshall, Matthew S. J.;Becerra-Toledo, Andres E.;Marks, Laurence D.;Castell, Martin R.;
7:3:19:1 Epitaxial Growth and Properties of Doped Transition Metal and Complex Oxide Films
DOI:10.1002/adma.200901867 JN:ADVANCED MATERIALS PY:2010 TC:94 AU: Chambers, Scott A.;
7:3:19:2 Band Gap and Edge Engineering via Ferroic Distortion and Anisotropic Strain: The Case of SrTiO3
DOI:10.1103/PhysRevLett.107.146804 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:30 AU: Berger, Robert F.;Fennie, Craig J.;Neaton, Jeffrey B.;
7:3:19:3 The Impacts of Cation Stoichiometry and Substrate Surface Quality on Nucleation, Structure, Defect Formation, and Intermixing in Complex Oxide Heteroepitaxy-LaCrO3 on SrTiO3(001)
DOI:10.1002/adfm.201202655 JN:ADVANCED FUNCTIONAL MATERIALS PY:2013 TC:15 AU: Qiao, L.;Zhang, K. H. L.;Bowden, M. E.;Varga, T.;Shutthanandan, V.;Colby, R.;Du, Y.;Kabius, B.;Sushko, P. V.;Biegalski, M. D.;Chambers, S. A.;
7:3:19:4 Band-Gap Reduction and Dopant Interaction in Epitaxial La,Cr Co-doped SrTiO3 Thin Films
DOI:10.1021/cm503541u JN:CHEMISTRY OF MATERIALS PY:2014 TC:6 AU: Comes, Ryan B.;Sushko, Peter V.;Heald, Steve M.;Colby, Robert J.;Bowden, Mark E.;Chambers, Scott A.;
7:3:19:5 The impact of crystal symmetry on the electronic structure and functional properties of complex lanthanum chromium oxides
DOI:10.1039/c3tc30883a JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2013 TC:9 AU: Qiao, L.;Xiao, H. Y.;Heald, S. M.;Bowden, M. E.;Varga, T.;Exarhos, G. J.;Biegalski, M. D.;Ivanov, I. N.;Weber, W. J.;Droubay, T. C.;Chambers, S. A.;
7:3:19:6 Band Alignment, Built-In Potential, and the Absence of Conductivity at the LaCrO3/SrTiO3(001) Heterojunction
DOI:10.1103/PhysRevLett.107.206802 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:17 AU: Chambers, S. A.;Qiao, L.;Droubay, T. C.;Kaspar, T. C.;Arey, B. W.;Sushko, P. V.;
7:3:19:7 Cation intermixing and electronic deviations at the insulating LaCrO3/SrTiO3(001) interface
DOI:10.1103/PhysRevB.88.155325 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Colby, R.;Qiao, L.;Zhang, K. H. L.;Shutthanandan, V.;Ciston, J.;Kabius, B.;Chambers, S. A.;
7:3:19:8 LaCrO3 heteroepitaxy on SrTiO3(001) by molecular beam epitaxy
DOI:10.1063/1.3624473 JN:APPLIED PHYSICS LETTERS PY:2011 TC:10 AU: Qiao, L.;Droubay, T. C.;Bowden, M. E.;Shutthanandan, V.;Kaspar, T. C.;Chambers, S. A.;
7:3:19:9 Effect of cation arrangement on the electronic structures of the perovskite solid solutions (SrTiO3)(1-x)(LaCrO3)(x) from first principles
DOI:10.1103/PhysRevB.90.045119 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Chen, Hungru;Umezawa, Naoto;
7:3:19:10 Memory diodes with nonzero crossing
DOI:10.1063/1.4775673 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Saraf, Shimon;Markovich, Miri;Vincent, Tracey;Rechter, Roman;Rothschild, Avner;
7:3:19:11 Defect chemistry of pn junctions in complex oxides
DOI:10.1103/PhysRevB.82.245208 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Saraf, Shimon;Markovich, Miri;Rothschild, Avner;
7:3:19:12 Multiband Optical Absorption Controlled by Lattice Strain in Thin-Film LaCrO3
DOI:10.1103/PhysRevLett.110.077401 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:6 AU: Sushko, Peter V.;Qiao, Liang;Bowden, Mark;Varga, Tamas;Exarhos, Gregory J.;Urban, Frank K., III;Barton, David;Chambers, Scott A.;
7:3:19:13 Epitaxial growth of Nb-doped SrTiO3 films by pulsed laser deposition
DOI:10.1016/j.apsusc.2012.02.041 JN:APPLIED SURFACE SCIENCE PY:2012 TC:3 AU: Markovich, M.;Roqueta, J.;Santiso, J.;Lakin, E.;Zolotoyabko, E.;Rothschild, A.;
7:3:20:1 Elastic strain engineering of ferroic oxides
DOI:10.1557/mrs.2014.1 JN:MRS BULLETIN PY:2014 TC:25 AU: Schlom, Darrell G.;Chen, Long-Qing;Fennie, Craig J.;Gopalan, Venkatraman;Muller, David A.;Pan, Xiaoqing;Ramesh, Ramamoorthy;Uecker, Reinhard;
7:3:20:2 Atomically Defined Rare-Earth Scandate Crystal Surfaces
DOI:10.1002/adfm.201000889 JN:ADVANCED FUNCTIONAL MATERIALS PY:2010 TC:39 AU: Kleibeuker, Josee E.;Koster, Gertjan;Siemons, Wolter;Dubbink, David;Kuiper, Bouwe;Blok, Jeroen L.;Yang, Chan-Ho;Ravichandran, Jayakanth;Ramesh, Ramamoorthy;ten Elshof, Johan E.;Blank, Dave H. A.;Rijnders, Guus;
7:3:20:3 Universal Ti-rich termination of atomically flat SrTiO3 (001), (110), and (111) surfaces
DOI:10.1063/1.3549860 JN:APPLIED PHYSICS LETTERS PY:2011 TC:33 AU: Biswas, A.;Rossen, P. B.;Yang, C. -H.;Siemons, W.;Jung, M. -H.;Yang, I. K.;Ramesh, R.;Jeong, Y. H.;
7:3:20:4 Metal insulator transitions in perovskite SrIrO3 thin films
DOI:10.1063/1.4903314 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:6 AU: Biswas, Abhijit;Kim, Ki-Seok;Jeong, Yoon Hee;
7:3:20:5 Preparation of atomically flat SrTiO3 surfaces using a deionized-water leaching and thermal annealing procedure
DOI:10.1063/1.4773052 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Connell, J. G.;Isaac, B. J.;Ekanayake, G. B.;Strachan, D. R.;Seo, S. S. A.;
7:3:20:6 Morphology control of Fe films using ordered termination on SrTiO3 surfaces
DOI:10.1063/1.3679177 JN:APPLIED PHYSICS LETTERS PY:2012 TC:2 AU: Chien, TeYu;Freeland, John W.;Guisinger, Nathan P.;
7:3:20:7 Cross-Sectional Scanning Tunneling Microscopy Applied to Complex Oxide Interfaces
DOI:10.1002/adfm.201203430 JN:ADVANCED FUNCTIONAL MATERIALS PY:2013 TC:2 AU: Chien, Te Yu;Chakhalian, Jak;Freeland, John W.;Guisinger, Nathan P.;
7:3:20:8 Epitaxial oxide growth on polar (111) surfaces
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7:3:20:9 Nanoscale Laterally Modulated Properties of Oxide Ultrathin Films by Substrate Termination Replica through Layer-by-Layer Growth
DOI:10.1021/cm302444s JN:CHEMISTRY OF MATERIALS PY:2012 TC:3 AU: Ocal, Carmen;Bachelet, Romain;Garzon, Luis;Stengel, Massimiliano;Sanchez, Florencio;Fontcuberta, Josep;
7:3:20:10 Structure of singly terminated polar DyScO3 (110) surfaces
DOI:10.1103/PhysRevB.85.165413 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Kleibeuker, J. E.;Kuiper, B.;Harkema, S.;Blank, D. H. A.;Koster, G.;Rijnders, G.;Tinnemans, P.;Vlieg, E.;Rossen, P. B.;Siemons, W.;Portale, G.;Ravichandran, J.;Szepieniec, J. M.;Ramesh, R.;
7:3:20:11 Achieving A-Site Termination on La0.18Sr0.82Al0.59Ta0.41O3 Substrates
DOI:10.1002/adma.200904328 JN:ADVANCED MATERIALS PY:2010 TC:9 AU: Ngai, Joseph H.;Schwendemann, Todd C.;Walker, Anna E.;Segal, Yaron;Walker, Fred J.;Altman, Eric I.;Ahn, Charles H.;
7:3:20:12 Selective A- or B-site single termination on surfaces of layered oxide SrLaAlO4
DOI:10.1063/1.4790575 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Biswas, A.;Rossen, P. B.;Ravichandran, J.;Chu, Y. -H.;Lee, Y. -W.;Yang, C. -H.;Ramesh, R.;Jeong, Y. H.;
7:3:20:13 Water adsorption and dissociation on SrTiO3(001) revisited: A density functional theory study
DOI:10.1103/PhysRevB.81.155455 JN:PHYSICAL REVIEW B PY:2010 TC:15 AU: Guhl, Hannes;Miller, Wolfram;Reuter, Karsten;
7:3:20:14 Realization of single-termination SrTiO3 (100) surfaces by a microwave-induced hydrothermal process
DOI:10.1063/1.4831681 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Velasco-Davalos, Ivan;Thomas, Reji;Ruediger, Andreas;
7:3:20:15 Conducted growth of SrRuO3 nanodot arrays on self-ordered La0.18Sr0.82Al0.59Ta0.41O3(001) surfaces
DOI:10.1063/1.3622140 JN:APPLIED PHYSICS LETTERS PY:2011 TC:3 AU: Bachelet, R.;Ocal, C.;Garzon, L.;Fontcuberta, J.;Sanchez, F.;
7:3:20:16 First-principles investigations of electronic and magnetic properties of SrTiO3 (001) surfaces with adsorbed ethanol and acetone molecules
DOI:10.1103/PhysRevB.83.195428 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Adeagbo, Waheed A.;Fischer, Guntram;Hergert, Wolfram;
7:3:20:17 Survey of fractured SrTiO3 surfaces: From the micrometer to nanometer scale
DOI:10.1116/1.3420395 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2010 TC:4 AU: Chien, TeYu;Guisinger, Nathan P.;Freeland, John W.;
7:3:20:18 Morphological studies of Ni clusters on SrTiO3 (001) and (110)
DOI:10.1016/j.apsusc.2014.05.061 JN:APPLIED SURFACE SCIENCE PY:2014 TC:1 AU: Tanaka, Miyoko;
7:3:21:1 Epitaxial Nature and Transport Properties in (LaBa)Co2O5+delta Thin Films
DOI:10.1021/cm901479g JN:CHEMISTRY OF MATERIALS PY:2010 TC:33 AU: Liu, Jian;Liu, Ming;Collins, Gregory;Chen, Chonglin;Jiang, Xuening;Gong, Wenquan;Jacobson, Allan J.;He, Jie;Jiang, Jiechao;Meletis, Efstathios I.;
7:3:21:2 Giant Magnetoresistance and Anomalous Magnetic Properties of Highly Epitaxial Ferromagnetic LaBaCo2O5.5+delta Thin Films on (001) MgO
DOI:10.1021/am301427c JN:ACS APPLIED MATERIALS & INTERFACES PY:2012 TC:12 AU: Liu, Ming;Ma, Chunrui;Liu, Jian;Collins, Gregory;Chen, Chonglin;He, Jie;Jiang, Jiechao;Meletis, Efstathios I.;Sun, Li;Jacobson, Allan J.;Whangbo, Myung-Hwan;
7:3:21:3 Magnetic and transport properties of epitaxial (LaBa)Co2O5.5+delta thin films on (001) SrTiO3
DOI:10.1063/1.3378877 JN:APPLIED PHYSICS LETTERS PY:2010 TC:14 AU: Liu, M.;Liu, J.;Collins, G.;Ma, C. R.;Chen, C. L.;He, J.;Jiang, J. C.;Meletis, E. I.;Jacobson, A. J.;Zhang, Q. Y.;
7:3:21:4 Interface Effects on the Electronic Transport Properties in Highly Epitaxial LaBaCo2O5.5+delta Films
DOI:10.1021/am404951v JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:5 AU: Ma, C. R.;Liu, M.;Liu, J.;Collins, G.;Zhang, Y. M.;Wang, H. B.;Chen, C. L.;Lin, Y.;He, J.;Jiang, J. C.;Meletis, E. I.;Jacobson, A. J.;
7:3:21:5 Thickness effects on the magnetic and electrical transport properties of highly epitaxial LaBaCo2O5.5+delta thin films on MgO substrates
DOI:10.1063/1.4734386 JN:APPLIED PHYSICS LETTERS PY:2012 TC:12 AU: Ma, Chunrui;Liu, Ming;Collins, Gregory;Liu, Jian;Zhang, Yamei;Chen, Chonglin;He, Jie;Jiang, Jiechao;Meletis, Efstathios I.;
7:3:21:6 Magnetic and Electrical Transport Properties of LaBaCo2O5.5+delta Thin Films on Vicinal (001) SrTiO3 Surfaces
DOI:10.1021/am302553y JN:ACS APPLIED MATERIALS & INTERFACES PY:2013 TC:11 AU: Ma, Chunrui;Liu, Ming;Collins, Gregory;Wang, Haibin;Bao, Shanyong;Xu, Xing;Enriquez, Erik;Chen, Chonglin;Lin, Yuan;Whangbo, Myung-Hwan;
7:3:21:7 PO2 dependant resistance switch effect in highly epitaxial (LaBa)Co2O5+delta thin films
DOI:10.1063/1.3484964 JN:APPLIED PHYSICS LETTERS PY:2010 TC:12 AU: Liu, Jian;Collins, Gregory;Liu, Ming;Chen, C. L.;Jiang, Jiechao;Meletis, Efsftathios I.;Zhang, Qingyu;Dong, Chuang;
7:3:21:8 Step Terrace Tuned Anisotropic Transport Properties of Highly Epitaxial LaBaCo2O5.5+delta Thin Films on Vicinal SrTiO3 Substrates
DOI:10.1021/am500422j JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:4 AU: Zou, Q.;Liu, M.;Wang, G. Q.;Lu, H. L.;Yang, T. Z.;Guo, H. M.;Ma, C. R.;Xu, X.;Zhang, M. H.;Jiang, J. C.;Meletis, E. I.;Lin, Y.;Gao, H. J.;Chen, C. L.;
7:3:21:9 Nanodomain induced anomalous magnetic and electronic transport properties of LaBaCo2O5.5+delta highly epitaxial thin films
DOI:10.1063/1.4861406 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Ruiz-Zepeda, F.;Ma, C.;Uribe, D. Bahena;Cantu-Valle, J.;Wang, H.;Xu, Xing;Yacaman, M. J.;Chen, C.;Lorenz, B.;Jacobson, A. J.;Chu, P. C. W.;Ponce, A.;
7:3:21:10 Strain-Induced Anisotropic Transport Properties of LaBaCo2O5.5+delta Thin Films on NdGaO3 Substrates
DOI:10.1021/am502448k JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:3 AU: Liu, Ming;Zou, Qiang;Ma, Chunrui;Collins, Greg;Mi, Shao-Bo;Jia, Chun-Lin;Guo, Haiming;Gao, Hongjun;Chen, Chonglin;
7:3:21:11 Ultrafast chemical dynamic behavior in highly epitaxial LaBaCo2O5+delta thin films
DOI:10.1039/c4tc00492b JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2014 TC:1 AU: Wang, H. B.;Bao, S. Y.;Liu, J.;Collins, G.;Ma, C. R.;Liu, M.;Chen, C. L.;Dong, C.;Whangbo, M. -H.;Guo, H. M.;Gao, H. J.;
7:3:21:12 Magnetic and electrical transport properties of LaBaCo2O5.5+delta thin films directly integrated on Si (001)
DOI:10.1016/j.matlet.2013.07.013 JN:MATERIALS LETTERS PY:2013 TC:0 AU: Liu, Ming;Ma, Chunrui;Collins, Gregory;Liu, Jian;Zhang, Yamei;Wang, Haibin;Chen, Chonglin;
7:3:21:13 Superfast oxygen exchange kinetics on highly epitaxial LaBaCo2O5+delta thin films for intermediate temperature solid oxide fuel cells
DOI:10.1063/1.4820363 JN:APL MATERIALS PY:2013 TC:3 AU: Liu, Jian;Collins, Gregory;Liu, Ming;Chen, Chonglin;
7:3:21:14 Self-patterned Nano Structures in Structurally Gradient Epitaxial La0.5Ba0.5CoO3 Films
DOI:10.1016/j.tsf.2011.02.015 JN:THIN SOLID FILMS PY:2011 TC:9 AU: He, Jie;Jiang, Jiechao;Liu, Jian;Liu, Ming;Collins, Greg;Ma, Chunrui;Chen, Chonglin;Meletis, Efstathios I.;
7:3:21:15 The ordered double perovskite PrBaCo2O6: Synthesis, structure, and magnetism
DOI:10.1063/1.4812368 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Seikh, Md Motin;Pralong, V.;Lebedev, O. I.;Caignaert, V.;Raveau, B.;
7:3:21:16 Strain relaxation in epitaxial SrRuO3 thin films on LaAlO3 substrates
DOI:10.1063/1.4823593 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Gao, M.;Du, H.;Ma, C. R.;Liu, M.;Collins, G.;Zhang, Y. M.;Dai, C.;Chen, C. L.;Lin, Y.;
7:3:21:17 Surface-Step-Terrace-Induced Anomalous Transport Properties in Highly Epitaxial La0.67Ca0.33MnO3 Thin Films
DOI:10.1021/am100542n JN:ACS APPLIED MATERIALS & INTERFACES PY:2010 TC:4 AU: Lu, Hongliang;Zhang, Chendong;Guo, Haiming;Gao, Hongjun;Liu, Ming;Liu, Jian;Collins, Gregery;Chen, Chonglin;
7:3:21:18 Effect of oxygen content on magnetic properties of layered cobaltites PrBaCo(2)O(5+delta)
DOI:10.1063/1.3633521 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Ganorkar, Shraddha;Priolkar, K. R.;Sarode, P. R.;Banerjee, A.;
7:3:21:19 Interface Engineered Ferroelectric BaTiO3//SrTiO3 Heterostructures with Anomalous Clamped Polarization on Si (100)
DOI:10.1080/10584587.2011.616420 JN:INTEGRATED FERROELECTRICS PY:2011 TC:3 AU: Liu, Ming;Collins, Greg;Silva, Emmaul;Ma, Chunrui;Liu, Jian;Chen, Chonglin;He, Jie;Jiang, Jiechao;Meletis, Efstathios I.;Qu, Shengwei;Zhang, Qingyu;Bhalla, Amma;
7:3:21:20 Layered PrBaCo2O5+delta perovskite as a cathode for proton-conducting solid oxide fuel cells
DOI:10.1016/j.jallcom.2010.01.040 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:9 AU: Jin, Meifang;Zhang, Xiuling;Qiu, Yu'e;Sheng, Jianmin;
7:3:21:21 Effect of substrate orientation on charge ordering behavior in Sm0.5Ca0.5MnO3 epitaxial films
DOI:10.1016/j.matlet.2012.12.097 JN:MATERIALS LETTERS PY:2013 TC:4 AU: Li, C. Y.;Wang, Y. Q.;Cai, R. S.;Chen, Y. Z.;Sun, J. R.;
7:3:21:22 Magnetic and electronic properties of Eu(0.9)Ca(0.1)BaCo(2)O(5.5+delta) with the variation of oxygen stoichiometry
DOI:10.1063/1.3587235 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Seikh, Md Motin;Kundu, Asish K.;Caignaert, V.;Pralong, V.;Raveau, B.;
7:3:21:23 Epitaxial growth in heterogeneous nucleation of pure aluminum
DOI:10.1016/j.matlet.2014.06.051 JN:MATERIALS LETTERS PY:2014 TC:0 AU: Yang, L.;Xia, M.;Li, J. G.;
7:3:22:1 High bias anomaly in YBa2Cu3O7-x/LaMnO3+delta/YBa2Cu3O7-x superconductor/ferromagnetic insulator/superconductor junctions: Evidence for a long-range superconducting proximity effect through the conduction band of a ferromagnetic insulator
DOI:10.1103/PhysRevB.87.134520 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Golod, T.;Rydh, A.;Krasnov, V. M.;Marozau, I.;Uribe-Laverde, M. A.;Satapathy, D. K.;Wagner, Th.;Bernhard, C.;
7:3:22:2 Magnetic Proximity Effect in YBa2Cu3O7/La2/3Ca1/3MnO3 and YBa2Cu3O7/LaMnO3+delta Superlattices
DOI:10.1103/PhysRevLett.108.197201 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:29 AU: Satapathy, D. K.;Uribe-Laverde, M. A.;Marozau, I.;Malik, V. K.;Das, S.;Wagner, Th.;Marcelot, C.;Stahn, J.;Brueck, S.;Ruehm, A.;Macke, S.;Tietze, T.;Goering, E.;Frano, A.;Kim, J. -H.;Wu, M.;Benckiser, E.;Keimer, B.;Devishvili, A.;Toperverg, B. P.;Merz, M.;Nagel, P.;Schuppler, S.;Bernhard, C.;
7:3:22:3 Unconventional Proximity Effect and Inverse Spin-Switch Behavior in a Model Manganite-Cuprate-Manganite Trilayer System
DOI:10.1103/PhysRevLett.105.256804 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:21 AU: Salafranca, Juan;Okamoto, Satoshi;
7:3:22:4 Pulsed laser deposition growth of heteroepitaxial YBa2Cu3O7/La0.67Ca0.33MnO3 superlattices on NdGaO3 and Sr0.7La0.3Al0.65Ta0.35O3 substrates
DOI:10.1103/PhysRevB.85.054514 JN:PHYSICAL REVIEW B PY:2012 TC:11 AU: Malik, V. K.;Marozau, I.;Das, S.;Doggett, B.;Satapathy, D. K.;Uribe-Laverde, M. A.;Biskup, N.;Varela, M.;Schneider, C. W.;Marcelot, C.;Stahn, J.;Bernhard, C.;
7:3:22:5 Exchange coupling and coercivity enhancement in cuprate/manganite bilayers
DOI:10.1063/1.4788719 JN:APPLIED PHYSICS LETTERS PY:2013 TC:9 AU: Ding, J. F.;Tian, Y. F.;Hu, W. J.;Lin, W. N.;Wu, T.;
7:3:22:6 Effect of Interface-Induced Exchange Fields on Cuprate-Manganite Spin Switches
DOI:10.1103/PhysRevLett.108.207205 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:8 AU: Liu, Yaohua;Visani, C.;Nemes, N. M.;Fitzsimmons, M. R.;Zhu, L. Y.;Tornos, J.;Garcia-Hernandez, M.;Zhernenkov, M.;Hoffmann, A.;Leon, C.;Santamaria, J.;te Velthuis, S. G. E.;
7:3:22:7 Emergent Spin Filter at the Interface between Ferromagnetic and Insulating Layered Oxides
DOI:10.1103/PhysRevLett.111.247203 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:2 AU: Liu, Yaohua;Cuellar, F. A.;Sefrioui, Z.;Freeland, J. W.;Fitzsimmons, M. R.;Leon, C.;Santamaria, J.;te Velthuis, S. G. E.;
7:3:22:8 Symmetrical interfacial reconstruction and magnetism in La0.7Ca0.3MnO3/YBa2Cu3O7/La0.7Ca0.3MnO3 heterostructures
DOI:10.1103/PhysRevB.84.060405 JN:PHYSICAL REVIEW B PY:2011 TC:12 AU: Visani, C.;Tornos, J.;Nemes, N. M.;Rocci, M.;Leon, C.;Santamaria, J.;te Velthuis, S. G. E.;Liu, Yaohua;Hoffmann, A.;Freeland, J. W.;Garcia-Hernandez, M.;Fitzsimmons, M. R.;Kirby, B. J.;Varela, M.;Pennycook, S. J.;
7:3:22:9 Competition between Covalent Bonding and Charge Transfer at Complex-Oxide Interfaces
DOI:10.1103/PhysRevLett.112.196802 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:3 AU: Salafranca, Juan;Rincon, Julian;Tornos, Javier;Leon, Carlos;Santamaria, Jacobo;Dagotto, Elbio;Pennycook, Stephen J.;Varela, Maria;
7:3:22:10 YBa2Cu3O7/La0.7Ca0.3MnO3 bilayers: Interface coupling and electric transport properties
DOI:10.1103/PhysRevB.82.224509 JN:PHYSICAL REVIEW B PY:2010 TC:16 AU: Werner, R.;Raisch, C.;Ruosi, A.;Davidson, B. A.;Nagel, P.;Merz, M.;Schuppler, S.;Glaser, M.;Fujii, J.;Chasse, T.;Kleiner, R.;Koelle, D.;
7:3:22:11 Depth profile of the ferromagnetic order in a YBa2Cu3O7/La2/3Ca1/3MnO3 superlattice on a LSAT substrate: A polarized neutron reflectometry study
DOI:10.1103/PhysRevB.87.115105 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Uribe-Laverde, M. A.;Satapathy, D. K.;Marozau, I.;Malik, V. K.;Das, S.;Sen, K.;Stahn, J.;Ruehm, A.;Kim, J. -H.;Keller, T.;Devishvili, A.;Toperverg, B. P.;Bernhard, C.;
7:3:22:12 Influence of La and Mn vacancies on the electronic and magnetic properties of LaMnO3 thin films grown by pulsed laser deposition
DOI:10.1103/PhysRevB.89.174422 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Marozau, Ivan;Das, Proloy T.;Doebeli, Max;Storey, James G.;Uribe-Laverde, Miguel A.;Das, Saikat;Wang, Chennan;Roessle, Matthias;Bernhard, Christian;
7:3:22:13 Interfacial electronic and magnetic properties of a Y0.6Pr0.4Ba2Cu3O7/La2/3Ca1/3MnO3 superlattice
DOI:10.1103/PhysRevB.84.092506 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Liu, Jian;Kirby, B. J.;Gray, B.;Kareev, M.;Habermeier, H. -U.;Cristiani, G.;Freeland, J. W.;Chakhalian, J.;
7:3:22:14 Structural, magnetic, and superconducting properties of pulsed-laser-deposition-grown La1.85Sr0.15CuO4/La2/3Ca1/3MnO3 superlattices on (001)-oriented LaSrAlO4 substrates
DOI:10.1103/PhysRevB.89.094511 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Das, S.;Sen, K.;Marozau, I.;Uribe-Laverde, M. A.;Biskup, N.;Varela, M.;Khaydukov, Y.;Soltwedel, O.;Keller, T.;Doebeli, M.;Schneider, C. W.;Bernhard, C.;
7:3:22:15 Attenuation of superconductivity in manganite/cuprate heterostructures by epitaxially-induced CuO intergrowths
DOI:10.1063/1.4813840 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Zhang, H.;Gauquelin, N.;Botton, G. A.;Wei, J. Y. T.;
7:3:22:16 Thermoelectric properties of YBa2Cu3O7-delta-La2/3Ca1/3MnO3 superlattices
DOI:10.1063/1.4754707 JN:APPLIED PHYSICS LETTERS PY:2012 TC:2 AU: Heinze, S.;Habermeier, H. -U.;Cristiani, G.;Canosa, S. Blanco;Le Tacon, M.;Keimer, B.;
7:3:22:17 Exchange Field-Mediated Magnetoresistance in the Correlated Insulator Phase of Be films
DOI:10.1103/PhysRevLett.109.147207 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:1 AU: Liu, T. J.;Prestigiacomo, J. C.;Xiong, Y. M.;Adams, P. W.;
7:3:22:18 Measurement of Magnetic Exchange in Ferromagnet-Superconductor La2/3Ca1/3MnO3/YBa2Cu3O7 Bilayers
DOI:10.1103/PhysRevLett.109.137005 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:4 AU: Giblin, S. R.;Taylor, J. W.;Duffy, J. A.;Butchers, M. W.;Utfeld, C.;Dugdale, S. B.;Nakamura, T.;Visani, C.;Santamaria, J.;
7:3:22:19 Electric-field-induced domain switching in the charge/orbital-ordered state of manganite La0.5Sr1.5MnO4
DOI:10.1103/PhysRevB.81.140102 JN:PHYSICAL REVIEW B PY:2010 TC:4 AU: Murakami, Y.;Konno, S.;Arima, T.;Shindo, D.;Suzuki, T.;
7:3:22:20 Electron sampling depth and saturation effects in perovskite films investigated by soft x-ray absorption spectroscopy
DOI:10.1103/PhysRevB.90.125120 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Ruosi, A.;Raisch, C.;Verna, A.;Werner, R.;Davidson, B. A.;Fujii, J.;Kleiner, R.;Koelle, D.;
7:3:22:21 Magnetoresistance and Ferromagnetism in Disordered LaCu0.5Mn0.5O3 Perovskite
DOI:10.1021/cm400655x JN:CHEMISTRY OF MATERIALS PY:2013 TC:1 AU: Cortes-Gil, Raquel;Luisa Ruiz-Gonzalez, M.;Alonso, Jose M.;Garcia-Hernandez, Mar;Hernando, Antonio;Gonzalez-Calbet, Jose M.;
7:3:22:22 Polarized neutron reflectometry study of the magnetization reversal process in YBa2Cu3O7/La2/3Ca1/3MnO3 superlattices grown on SrTiO3 substrates
DOI:10.1103/PhysRevB.82.174439 JN:PHYSICAL REVIEW B PY:2010 TC:3 AU: Hoppler, J.;Fritzsche, H.;Malik, V. K.;Stahn, J.;Cristiani, G.;Habermeier, H. -U.;Roessle, M.;Honolka, J.;Enders, A.;Bernhard, C.;
7:3:22:23 Electric-field-induced domain switching in the charge/orbital-ordered state of manganite La0.5Sr1.5MnO4 (vol 81, 140102, 2010)
DOI:10.1103/PhysRevB.82.029903 JN:PHYSICAL REVIEW B PY:2010 TC:0 AU: Murakami, Y.;Konno, S.;Arima, T.;Shindo, D.;Suzuki, T.;
7:3:22:24 Competition between Covalent Bonding and Charge Transfer at Complex-Oxide Interfaces (vol 112, 196802, 2014)
DOI:10.1103/PhysRevLett.113.189902 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Salafranca, Juan;Rincon, Julian;Tornos, Javier;Leon, Carlos;Santamaria, Jacobo;Dagotto, Elbio;Pennycook, Stephen J.;Varela, Maria;
7:3:23:1 Surface electronic structure for various surface preparations of Nb-doped SrTiO3 (001)
DOI:10.1063/1.4821095 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Hatch, Richard C.;Fredrickson, Kurt D.;Choi, Miri;Lin, Chungwei;Seo, Hosung;Posadas, Agham B.;Demkov, Alexander A.;
7:3:23:2 Electronic structure of oxygen vacancies in SrTiO3 and LaAlO3
DOI:10.1103/PhysRevB.86.155105 JN:PHYSICAL REVIEW B PY:2012 TC:20 AU: Mitra, C.;Lin, C.;Robertson, J.;Demkov, Alexander A.;
7:3:23:3 Electron Correlation in Oxygen Vacancy in SrTiO3
DOI:10.1103/PhysRevLett.111.217601 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:8 AU: Lin, Chungwei;Demkov, Alexander A.;
7:3:23:4 Orbital ordering under reduced symmetry in transition metal perovskites: Oxygen vacancy in SrTiO3
DOI:10.1103/PhysRevB.86.161102 JN:PHYSICAL REVIEW B PY:2012 TC:13 AU: Lin, Chungwei;Mitra, Chandrima;Demkov, Alexander A.;
7:3:23:5 First-principles insights on the magnetism of cubic SrTi1-xCoxO3-delta
DOI:10.1063/1.4729830 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Florez, J. M.;Ong, S. P.;Onbasli, M. C.;Dionne, G. F.;Vargas, P.;Ceder, G.;Ross, C. A.;
7:3:23:6 Anti-ferrodistortive-Like Oxygen-Octahedron Rotation Induced by the Oxygen Vacancy in Cubic SrTiO3
DOI:10.1002/adma.201203580 JN:ADVANCED MATERIALS PY:2013 TC:20 AU: Choi, Minseok;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;
7:3:23:7 Bandgap engineering in perovskite oxides: Al-doped SrTiO3
DOI:10.1063/1.4824023 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Posadas, Agham B.;Lin, Chungwei;Demkov, Alexander A.;Zollner, Stefan;
7:3:23:8 Hydrogen-Induced Surface Metallization of SrTiO3(001)
DOI:10.1103/PhysRevLett.108.116802 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:16 AU: D'Angelo, M.;Yukawa, R.;Ozawa, K.;Yamamoto, S.;Hirahara, T.;Hasegawa, S.;Silly, M. G.;Sirotti, F.;Matsuda, I.;
7:3:23:9 Oxygen vacancy-mediated room-temperature ferromagnetism in insulating cobalt-substituted SrTiO3 epitaxially integrated with silicon
DOI:10.1103/PhysRevB.87.144422 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Posadas, Agham B.;Mitra, Chandrima;Lin, Chungwei;Dhamdhere, Ajit;Smith, David J.;Tsoi, Maxim;Demkov, Alexander A.;
7:3:23:10 Role of oxygen vacancies in room-temperature ferromagnetism in cobalt-substituted SrTiO3
DOI:10.1103/PhysRevB.90.125130 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Mitra, Chandrima;Lin, Chungwei;Posadas, Agham B.;Demkov, Alexander A.;
7:3:23:11 Vacancies and small polarons in SrTiO3
DOI:10.1103/PhysRevB.90.085202 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Janotti, Anderson;Varley, Joel B.;Choi, Minseok;van de Walle, Chris G.;
7:3:23:12 Assessment of Strain-Generated Oxygen Vacancies Using SrTiO3 Bicrystals
DOI:10.1021/acs.nanolett.5b01245 JN:NANO LETTERS PY:2015 TC:0 AU: Choi, Si-Young;Kim, Sung-Dae;Choi, Minseok;Lee, Hak-Sung;Ryu, Jungho;Shibata, Naoya;Mizoguchi, Teruyasu;Tochigi, Eita;Yamamoto, Takahisa;Kang, Suk-Joong L.;Ikuhara, Yuichi;
7:3:23:13 Electronic structure of the hydrogen-adsorbed SrTiO3(001) surface studied by polarization-dependent photoemission spectroscopy
DOI:10.1103/PhysRevB.87.115314 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Yukawa, R.;Yamamoto, S.;Ozawa, K.;D'Angelo, M.;Ogawa, M.;Silly, M. G.;Sirotti, F.;Matsuda, I.;
7:3:23:14 Metal-induced charge transfer, structural distortion, and orbital order in SrTiO3 thin films
DOI:10.1103/PhysRevB.87.165103 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Lee, Jaekwang;Lin, Chungwei;Demkov, Alexander A.;
7:3:23:15 Enhancement of the magneto-optical performance of Sr(Ti0.6-xGaxFe0.4)O-3 perovskite films by Ga substitution
DOI:10.1063/1.3595337 JN:APPLIED PHYSICS LETTERS PY:2011 TC:4 AU: Jiang, Peng;Bi, Lei;Kim, Dong Hun;Dionne, G. F.;Ross, C. A.;
7:3:23:16 Raman scattering and room temperature ferromagnetism in Co-doped SrTiO3 particles
DOI:10.1016/j.apsusc.2011.04.039 JN:APPLIED SURFACE SCIENCE PY:2011 TC:8 AU: Yao, Dongsheng;Zhou, Xueyun;Ge, Shihui;
7:3:23:17 SrTiO3: From Quantum Paraelectric to Superconducting
DOI:10.1080/00150193.2010.505528 JN:FERROELECTRICS PY:2010 TC:3 AU: Bussmann-Holder, A.;Bishop, A. R.;Simon, A.;
7:3:23:18 Electrical Properties and Dimensional Stability of Ce-Doped SrTiO3-delta for Solid Oxide Fuel Cell Applications
DOI:10.1111/j.1551-2916.2011.04483.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:8 AU: Cumming, Denis J.;Kharton, Vladislav V.;Yaremchenko, Aleksey A.;Kovalevsky, Andrei V.;Kilner, John A.;
7:3:23:19 Spectral origins of high Faraday rotation at 1.5-mu m wavelength from Fe and Co in SrTiO3 films
DOI:10.1063/1.3562260 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Dionne, Gerald F.;Bi, Lei;Kim, H. -S.;Ross, C. A.;
7:3:24:1 Tailoring Magnetic Interlayer Coupling in La0.7Sr0.3MnO3/SrRuO3 Superlattices
DOI:10.1103/PhysRevLett.104.167203 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:50 AU: Ziese, M.;Vrejoiu, I.;Pippel, E.;Esquinazi, P.;Hesse, D.;Etz, C.;Henk, J.;Ernst, A.;Maznichenko, I. V.;Hergert, W.;Mertig, I.;
7:3:24:2 Inverted hysteresis and giant exchange bias in La0.7Sr0.3MnO3/SrRuO3 superlattices
DOI:10.1063/1.3470101 JN:APPLIED PHYSICS LETTERS PY:2010 TC:29 AU: Ziese, M.;Vrejoiu, I.;Hesse, D.;
7:3:24:3 Structural symmetry and magnetocrystalline anisotropy of SrRuO3 films on SrTiO3
DOI:10.1103/PhysRevB.81.184418 JN:PHYSICAL REVIEW B PY:2010 TC:27 AU: Ziese, M.;Vrejoiu, I.;Hesse, D.;
7:3:24:4 Dual Antiferromagnetic Coupling at La0.67Sr0.33MnO3/SrRuO3 Interfaces
DOI:10.1103/PhysRevLett.109.027201 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:6 AU: Solignac, A.;Guerrero, R.;Gogol, P.;Maroutian, T.;Ott, F.;Largeau, L.;Lecoeur, Ph.;Pannetier-Lecoeur, M.;
7:3:24:5 Competing interactions at the interface between ferromagnetic oxides revealed by spin-polarized neutron reflectometry
DOI:10.1103/PhysRevB.86.180402 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Kim, J. -H.;Vrejoiu, I.;Khaydukov, Y.;Keller, T.;Stahn, J.;Ruehm, A.;Satapathy, D. K.;Hinkov, V.;Keimer, B.;
7:3:24:6 Resistive switching in ultra-thin La0.7Sr0.3MnO3/SrRuO3 superlattices
DOI:10.1063/1.4890865 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Jammalamadaka, S. Narayana;Vanacken, Johan;Moshchalkov, V. V.;
7:3:24:7 Tailoring the electronic properties of SrRuO3 films in SrRuO3/LaAlO3 superlattices
DOI:10.1063/1.4768230 JN:APPLIED PHYSICS LETTERS PY:2012 TC:5 AU: Liu, Z. Q.;Ming, Y.;Lu, W. M.;Huang, Z.;Wang, X.;Zhang, B. M.;Li, C. J.;Gopinadhan, K.;Zeng, S. W.;Annadi, A.;Feng, Y. P.;Venkatesan, T.;Ariando;
7:3:24:8 Magnetic properties of Pr0.7Ca0.3MnO3/SrRuO3 superlattices
DOI:10.1063/1.3572027 JN:APPLIED PHYSICS LETTERS PY:2011 TC:13 AU: Ziese, M.;Vrejoiu, I.;Pippel, E.;Nikulina, E.;Hesse, D.;
7:3:24:9 Raman spectra and magnetization of all-ferromagnetic superlattices grown on (110) oriented SrTiO3
DOI:10.1063/1.4867509 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Behera, B. C.;Ravindra, A. V.;Padhan, P.;Prellier, W.;
7:3:24:10 Exchange bias in strained SrRuO3 thin films
DOI:10.1063/1.4902312 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Sow, Chanchal;Pramanik, A. K.;Kumar, P. S. Anil;
7:3:24:11 Exchange bias in manganite/SrRuO3 superlattices
DOI:10.1063/1.4790877 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Ziese, M.;Bern, F.;Vrejoiu, I.;
7:3:24:12 Anomalous and planar Hall effect of orthorhombic and tetragonal SrRuO3 layers
DOI:10.1103/PhysRevB.84.104413 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Ziese, M.;Vrejoiu, I.;
7:3:24:13 Size effect on magnetic coupling in all-ferromagnetic superlattices
DOI:10.1063/1.3673295 JN:APPLIED PHYSICS LETTERS PY:2011 TC:1 AU: Padhan, P.;Prellier, W.;
7:3:24:14 Exchange coupling and exchange bias in La0.7Sr0.3MnO3-SrRuO3 superlattices
DOI:10.1088/0957-4484/22/25/254025 JN:NANOTECHNOLOGY PY:2011 TC:9 AU: Ziese, M.;Pippel, E.;Nikulina, E.;Arredondo, M.;Vrejoiu, I.;
7:3:24:15 Tailoring magnetic orders in (LaFeO(3))(n)-(LaCrO(3))(n) superlattices model
DOI:10.1063/1.3631787 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Zhu, Yangyang;Dong, Shuai;Zhang, Qinfang;Yunoki, Seiji;Wang, Yonggang;Liu, J. -M.;
7:3:24:16 Spin Structure in an Interfacially Coupled Epitaxial Ferromagnetic Oxide Heterostructure
DOI:10.1103/PhysRevLett.110.237201 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:3 AU: Ke, X.;Belenky, L. J.;Lauter, V.;Ambaye, H.;Bark, C. W.;Eom, C. B.;Rzchowski, M. S.;
7:3:24:17 Step velocity tuning of SrRuO3 step flow growth on SrTiO3
DOI:10.1103/PhysRevB.83.193401 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Esteve, D.;Maroutian, T.;Pillard, V.;Lecoeur, Ph.;
7:3:24:18 Magnetotransport properties of La0.7Sr0.3MnO3/Nd0.6Ca0.4MnO3 superlattices up to 25 T
DOI:10.1063/1.3540656 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:0 AU: Pinto, S.;Pereira, A. M.;Ventura, J.;Araujo, J. P.;Hsu, D.;Lin, J. G.;
7:3:24:19 Extraordinary Hall effect in Ba1-xSrxRuO3 films
DOI:10.1103/PhysRevB.82.174430 JN:PHYSICAL REVIEW B PY:2010 TC:2 AU: Kobayashi, Y.;Iwata, M.;Kaneko, T.;Sato, K.;Asai, K.;Ohsumi, H.;
7:3:24:20 Hybrid models of hysteresis for mixed hysteretic loops in heterogeneous magnetic materials
DOI:10.1063/1.4853295 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Dimian, M.;Andrei, P.;Grayson, M.;
7:3:25:1 Ferroelectricity in Strain-Free SrTiO3 Thin Films
DOI:10.1103/PhysRevLett.104.197601 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:68 AU: Jang, H. W.;Kumar, A.;Denev, S.;Biegalski, M. D.;Maksymovych, P.;Bark, C. W.;Nelson, C. T.;Folkman, C. M.;Baek, S. H.;Balke, N.;Brooks, C. M.;Tenne, D. A.;Schlom, D. G.;Chen, L. Q.;Pan, X. Q.;Kalinin, S. V.;Gopalan, V.;Eom, C. B.;
7:3:25:2 Critical thickness and strain relaxation in molecular beam epitaxy-grown SrTiO3 films
DOI:10.1063/1.4833248 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Wang, Tianqi;Ganguly, Koustav;Marshall, Patrick;Xu, Peng;Jalan, Bharat;
7:3:25:3 Anisotropic manipulation of ferroelectric polarization in SrTiO3/(Co0.9Zn0.1)Fe2O4 heterostructural films by magnetic field
DOI:10.1063/1.4863144 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Chen, Bo;Li, Yong-Chao;Wang, Jun-Yong;Wan, Jian-Guo;Liu, Jun-Ming;
7:3:25:4 Polar state in freestanding strontium titanate nanoparticles
DOI:10.1063/1.4894253 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Tyson, Trevor A.;Yu, Tian;Croft, Mark;Scofield, Megan E.;Bobb-Semple, Dara;Tao, Jing;Jaye, Cherno;Fischer, Daniel;Wong, Stanislaus S.;
7:3:25:5 Ferroelectricity and superparamagnetism in Sr/Ti nonstoichiometric SrTiO3
DOI:10.1103/PhysRevB.85.104108 JN:PHYSICAL REVIEW B PY:2012 TC:10 AU: Guo, Y. Y.;Liu, H. M.;Yu, D. P.;Liu, J. -M.;
7:3:25:6 Nanoindentation induced piezoelectricity in SrTiO3 single crystals
DOI:10.1016/j.scriptamat.2013.11.003 JN:SCRIPTA MATERIALIA PY:2014 TC:3 AU: Bdikin, I.;Singh, Budhendra;Kumar, J. Suresh;Graca, M. P. F.;Balbashov, A. M.;Gracio, J.;Kholkin, A. L.;
7:3:25:7 Ferroelectricity in nonstoichiometric SrTiO3 films studied by ultraviolet Raman spectroscopy
DOI:10.1063/1.3499273 JN:APPLIED PHYSICS LETTERS PY:2010 TC:10 AU: Tenne, D. A.;Farrar, A. K.;Brooks, C. M.;Heeg, T.;Schubert, J.;Jang, H. W.;Bark, C. W.;Folkman, C. M.;Eom, C. B.;Schlom, D. G.;
7:3:25:8 Effect of stoichiometry on the dielectric properties and soft mode behavior of strained epitaxial SrTiO3 thin films on DyScO3 substrates
DOI:10.1063/1.4793649 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Lee, Che-Hui;Skoromets, Volodymyr;Biegalski, Michael D.;Lei, Shiming;Haislmaier, Ryan;Bernhagen, Margitta;Uecker, Reinhard;Xi, Xiaoxing;Gopalan, Venkatraman;Marti, Xavier;Kamba, Stanislav;Kuzel, Petr;Schlom, Darrell G.;
7:3:25:9 Role of phonon scattering by elastic strain field in thermoelectric Sr1-xYxTiO3-delta
DOI:10.1063/1.4882377 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:7 AU: Bhattacharya, S.;Dehkordi, A. Mehdizadeh;Tennakoon, S.;Adebisi, R.;Gladden, J. R.;Darroudi, T.;Alshareef, H. N.;Tritt, T. M.;
7:3:25:10 Defect-related room-temperature ferroelectricity in tensile-strained SrTiO3 thin films on GdScO3 (110) substrates
DOI:10.1063/1.3525963 JN:APPLIED PHYSICS LETTERS PY:2010 TC:7 AU: Kim, Yong Su;Choi, J. S.;Kim, J.;Moon, S. J.;Park, B. H.;Yu, J.;Kwon, J. -H.;Kim, M.;Chung, J. -S.;Noh, T. W.;Yoon, J. -G.;
7:3:25:11 Anisotropic-strain-relaxation-induced crosshatch morphology in epitaxial SrTiO3/NdGaO3 thin films
DOI:10.1063/1.4897960 JN:AIP ADVANCES PY:2014 TC:0 AU: Tan, X. L.;Chen, F.;Chen, P. F.;Xu, H. R.;Chen, B. B.;Jin, F.;Gao, G. Y.;Wu, W. B.;
7:3:25:12 X-ray analysis of strain distribution in two-step grown epitaxial SrTiO3 thin films
DOI:10.1063/1.4892827 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Panomsuwan, Gasidit;Takai, Osamu;Saito, Nagahiro;
7:3:25:13 Insulators containing CuCl4X22- (X = H2O, NH3) units: Origin of the orthorhombic distortion observed only for CuCl4(H2O)(2)(2-)
DOI:10.1103/PhysRevB.85.094110 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Garcia-Fernandez, P.;Garcia-Lastra, J. M.;Trueba, A.;Barriuso, M. T.;Aramburu, J. A.;Moreno, M.;
7:3:25:14 Influence of Epitaxial Growth Orientation on Residual Strain and Dielectric Properties of (Ba0.3Sr0.7)TiO3 Films Grown on In-Plane Compressive Substrates
DOI:10.1080/00150193.2010.483391 JN:FERROELECTRICS PY:2010 TC:5 AU: Yamada, T.;Kamo, T.;Su, D.;Iijima, T.;Funakubo, H.;
7:3:25:15 Temperature and electric field stabilities of dielectric and insulating properties for c-axis-oriented CaBi4Ti4O15 films
DOI:10.1063/1.4811816 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Kimura, Junichi;Takuwa, Itaru;Matsushima, Masaaki;Yasui, Shintaro;Yamada, Tomoaki;Funakubo, Hiroshi;
7:3:25:16 Anisotropic magnetic field responses of ferroelectric polarization in the trigonal multiferroic CuFe1-xAlxO2 (x=0.015)
DOI:10.1103/PhysRevB.81.014422 JN:PHYSICAL REVIEW B PY:2010 TC:6 AU: Nakajima, Taro;Mitsuda, Setsuo;Kanetsuki, Shunsuke;Yamano, Motoyoshi;Iwamoto, Shunsuke;Yoshida, Yukihiko;Mitamura, Hiroyuki;Sawai, Yoshiki;Tokunaga, Masashi;Kindo, Koichi;Prokes, Karel;Podlesnyak, Andrey;
7:3:25:17 Chemically modulated multiferroicity in Dy-doped Gd2Ti2O7
DOI:10.1063/1.4794129 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Lin, L.;Zhao, Z. Y.;Liu, D.;Xie, Y. L.;Dong, S.;Yan, Z. B.;Liu, J. -M.;
7:3:25:18 OXIDE INTERFACES Streaks of conduction
DOI:10.1038/nmat3820 JN:NATURE MATERIALS PY:2013 TC:1 AU: Brinkman, Alexander;
7:3:26:1 "Charge Leakage" at LaMnO3/SrTiO3 Interfaces
DOI:10.1002/adma.200902263 JN:ADVANCED MATERIALS PY:2010 TC:51 AU: Garcia-Barriocanal, Javier;Bruno, Flavio Y.;Rivera-Calzada, Alberto;Sefrioui, Zouhair;Nemes, Norbert M.;Garcia-Hernandez, Mar;Rubio-Zuazo, Juan;Castro, German R.;Varela, Maria;Pennycook, Stephen J.;Leon, Carlos;Santamaria, Jacobo;
7:3:26:2 Probing Interfacial Electronic Structures in Atomic Layer LaMnO3 and SrTiO3 Superlattices
DOI:10.1002/adma.200904198 JN:ADVANCED MATERIALS PY:2010 TC:34 AU: Shah, Amish B.;Ramasse, Quentin M.;Zhai, Xiaofang;Wen, Jian Guo;May, Steve J.;Petrov, Ivan;Bhattacharya, Anand;Abbamonte, Peter;Eckstein, James N.;Zuo, Jian-Min;
7:3:26:3 Charge states and magnetic ordering in LaMnO3/SrTiO3 superlattices
DOI:10.1103/PhysRevB.83.195113 JN:PHYSICAL REVIEW B PY:2011 TC:12 AU: Choi, Woo Seok;Jeong, D. W.;Seo, S. S. A.;Lee, Y. S.;Kim, T. H.;Jang, S. Y.;Lee, H. N.;Myung-Whun, K.;
7:3:26:4 Half-Metallic Ferromagnetism via the Interface Electronic Reconstruction in LaAlO3/SrMnO3 Nanosheet Superlattices
DOI:10.1021/nn303943t JN:ACS NANO PY:2012 TC:6 AU: Hou, Fang;Cai, Tian-Yi;Ju, Sheng;Shen, Ming-Rong;
7:3:26:5 Highly Spin-Polarized Conducting State at the Interface between Nonmagnetic Band Insulators: LaAlO3/FeS2 (001)
DOI:10.1103/PhysRevLett.107.166601 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:14 AU: Burton, J. D.;Tsymbal, E. Y.;
7:3:26:6 Direct Probing of Nanodimensioned Oxide Multilayers with the Aid of Focused Ion Beam Milling
DOI:10.1002/adma.201102401 JN:ADVANCED MATERIALS PY:2011 TC:5 AU: Kuru, Yener;Jalili, Helia;Cai, Zhuhua;Yildiz, Bilge;Tuller, Harry L.;
7:3:26:7 Spin-polarized two-dimensional electron gas through electrostatic doping in LaAlO3/EuO heterostructures
DOI:10.1103/PhysRevB.82.235305 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Lee, Jaekwang;Sai, Na;Demkov, Alexander A.;
7:3:26:8 Polar catastrophe, electron leakage, and magnetic ordering at the LaMnO3OSrMnO3 interface
DOI:10.1103/PhysRevB.81.224408 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Nanda, B. R. K.;Satpathy, S.;
7:3:26:9 New Optical Absorption Bands in Atomic-Layer Superlattices
DOI:10.1002/adma.200904197 JN:ADVANCED MATERIALS PY:2010 TC:12 AU: Zhai, Xiaofang;Mohapatra, Chandra S.;Shah, Amish B.;Zuo, Jian-Min;Eckstein, James N.;
7:3:26:10 High mobility half-metallicity in the (LaMnO3)(2)/(SrTiO3)(8) superlattice
DOI:10.1063/1.4789506 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Cossu, F.;Singh, N.;Schwingenschloegl, U.;
7:3:26:11 Magnetic orders and electronic structure in LaMnO3/SrTiO3 superlattices
DOI:10.1063/1.4793705 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Liu, H. M.;Ma, C. Y.;Zhou, P. X.;Dong, S.;Liu, J. -M.;
7:3:26:12 Magnetic properties of the (LaMnO3)(N)/(SrTiO3)(N) atomic layer superlattices
DOI:10.1063/1.4803873 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Zhai, Xiaofang;Mohapatra, Chandra S.;Shah, Amish B.;Zuo, Jian-Min;Eckstein, James N.;
7:3:26:13 Luminescence-based magnetic imaging with scanning x-ray transmission microscopy
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7:3:26:14 Polar catastrophe and the spin-polarized electron gas at the LaMnO3/SrMnO3 interface
DOI:10.1116/1.3454370 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2010 TC:0 AU: Nanda, B. R. K.;Satpathy, S.;
7:3:27:1 Dimensional-Crossover-Driven Metal-Insulator Transition in SrVO3 Ultrathin Films
DOI:10.1103/PhysRevLett.104.147601 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:35 AU: Yoshimatsu, K.;Okabe, T.;Kumigashira, H.;Okamoto, S.;Aizaki, S.;Fujimori, A.;Oshima, M.;
7:3:27:2 Covalency in transition-metal oxides within all-electron dynamical mean-field theory
DOI:10.1103/PhysRevB.90.075136 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Haule, Kristjan;Birol, Turan;Kotliar, Gabriel;
7:3:27:3 Density functional plus dynamical mean-field theory of the metal-insulator transition in early transition-metal oxides
DOI:10.1103/PhysRevB.90.125114 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Dang, Hung T.;Ai, Xinyuan;Millis, Andrew J.;Marianetti, Chris A.;
7:3:27:4 Metal-insulator transition in SrTi1-xVxO3 thin films
DOI:10.1063/1.4836576 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Gu, Man;Wolf, Stuart A.;Lu, Jiwei;
7:3:27:5 Strain effects on magnetic characteristics of ultrathin La0.7Sr0.3MnO3 in epitaxial La0.7Sr0.3MnO3/BaTiO3 superlattices
DOI:10.1063/1.4770485 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Shen, Xuan;Mo, Dan;Li, Chen;Wu, Di;Li, Aidong;
7:3:27:6 Electron molecular beam epitaxy: Layer-by-layer growth of complex oxides via pulsed electron-beam deposition
DOI:10.1063/1.4774238 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Comes, Ryan;Gu, Man;Khokhlov, Mikhail;Liu, Hongxue;Lu, Jiwei;Wolf, Stuart A.;
7:3:27:7 Covalency and the metal-insulator transition in titanate and vanadate perovskites
DOI:10.1103/PhysRevB.89.161113 JN:PHYSICAL REVIEW B PY:2014 TC:3 AU: Dang, Hung T.;Millis, Andrew J.;Marianetti, Chris A.;
7:3:27:8 Anomalous mass enhancement in strongly correlated quantum wells
DOI:10.1103/PhysRevB.84.201305 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Okamoto, Satoshi;
7:3:27:9 Designing ferromagnetism in vanadium oxide based superlattices
DOI:10.1103/PhysRevB.87.184434 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Dang, Hung T.;Millis, Andrew J.;
7:3:27:10 Theory of ferromagnetism in vanadium-oxide based perovskites
DOI:10.1103/PhysRevB.87.155127 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Dang, Hung T.;Millis, Andrew J.;
7:3:27:11 Metal-insulator transition in low dimensional La0.75Sr0.25VO3 thin films
DOI:10.1063/1.3638065 JN:APPLIED PHYSICS LETTERS PY:2011 TC:6 AU: Tran M. Dao;Mondal, Partha S.;Takamura, Y.;Arenholz, E.;Lee, Jaichan;
7:3:27:12 Metal-insulator transition induced in CaVO3 thin films
DOI:10.1063/1.4798963 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Gu, Man;Laverock, Jude;Chen, Bo;Smith, Kevin E.;Wolf, Stuart A.;Lu, Jiwei;
7:3:27:13 Magnetically Tunable Metal-Insulator Superlattices
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7:3:27:14 Highly Conductive SrVO3 as a Bottom Electrode for Functional Perovskite Oxides
DOI:10.1002/adma.201300900 JN:ADVANCED MATERIALS PY:2013 TC:6 AU: Moyer, Jarrett A.;Eaton, Craig;Engel-Herbert, Roman;
7:3:27:15 Structural, magnetic, and nanoscale switching properties of BiFeO3 thin films grown by pulsed electron deposition
DOI:10.1116/1.4802924 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2013 TC:0 AU: Liu, Hongxue;Comes, Ryan;Pei, Yonghang;Lu, Jiwei;Wolf, Stuart A.;
7:3:27:16 Enhanced second-harmonic generation in Pr0.5Ca0.5MnO3/La0.5Sr0.5MnO3 superlattices
DOI:10.1063/1.4851237 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Lee, J. S.;Nakamura, M.;Kawasaki, M.;Tokura, Y.;
7:3:28:1 Tuning of the metal-insulator transition in electrolyte-gated NdNiO3 thin films
DOI:10.1063/1.3496458 JN:APPLIED PHYSICS LETTERS PY:2010 TC:41 AU: Asanuma, S.;Xiang, P. -H.;Yamada, H.;Sato, H.;Inoue, I. H.;Akoh, H.;Sawa, A.;Ueno, K.;Shimotani, H.;Yuan, H.;Kawasaki, M.;Iwasa, Y.;
7:3:28:2 Strain-Mediated Phase Control and Electrolyte-Gating of Electron-Doped Manganites
DOI:10.1002/adma.201102968 JN:ADVANCED MATERIALS PY:2011 TC:24 AU: Xiang, Ping-Hua;Asanuma, Shutaro;Yamada, Hiroyuki;Inoue, Isao H.;Sato, Hiroshi;Akoh, Hiroshi;Sawa, Akihito;Ueno, Kazunori;Yuan, Hongtao;Shimotani, Hidekazu;Kawasaki, Masashi;Iwasa, Yoshihiro;
7:3:28:3 Electrostatic charge accumulation versus electrochemical doping in SrTiO3 electric double layer transistors
DOI:10.1063/1.3457785 JN:APPLIED PHYSICS LETTERS PY:2010 TC:25 AU: Ueno, K.;Shimotani, H.;Iwasa, Y.;Kawasaki, M.;
7:3:28:4 Atomic-Scale Characterization of Oxide Thin Films Gated by Ionic Liquid
DOI:10.1021/am504547b JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:2 AU: Lang, Andrew C.;Sloppy, Jennifer D.;Ghassemi, Hessam;Devlin, Robert C.;Sichel-Tissot, Rebecca J.;Idrobo, Juan-Carlos;May, Steven J.;Taheri, Mitra L.;
7:3:28:5 Suppression of Ionic Liquid Gate-Induced Metallization of SrTiO3(001) by Oxygen
DOI:10.1021/nl402088f JN:NANO LETTERS PY:2013 TC:13 AU: Li, Mingyang;Han, Wei;Jiang, Xin;Jeong, Jaewoo;Samant, Mahesh G.;Parkin, Stuart S. P.;
7:3:28:6 Electrolyte-Gated SmCoO3 Thin-Film Transistors Exhibiting Thickness-Dependent Large Switching Ratio at Room Temperature
DOI:10.1002/adma.201204505 JN:ADVANCED MATERIALS PY:2013 TC:7 AU: Xiang, Ping-Hua;Asanuma, Shutaro;Yamada, Hiroyuki;Sato, Hiroshi;Inoue, Isao H.;Akoh, Hiroshi;Sawa, Akihito;Kawasaki, Masashi;Iwasa, Yoshihiro;
7:3:28:7 Increased T-c in Electrolyte-Gated Cuprates
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7:3:28:8 Electric double layer transistor with a (Ga,Mn)As channel
DOI:10.1063/1.3277146 JN:APPLIED PHYSICS LETTERS PY:2010 TC:20 AU: Endo, M.;Chiba, D.;Shimotani, H.;Matsukura, F.;Iwasa, Y.;Ohno, H.;
7:3:28:9 Electric double layer gate controlled non-linear transport in a nanostructured functional perovskite oxide film
DOI:10.1063/1.4867081 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Nath, Rajib;Raychaudhuri, A. K.;
7:3:28:10 Reversible Ferromagnetic Phase Transition in Electrode-Gated Manganites
DOI:10.1002/adfm.201402007 JN:ADVANCED FUNCTIONAL MATERIALS PY:2014 TC:5 AU: Cui, Bin;Song, Cheng;Wang, Guangyue;Yan, Yinuo;Peng, Jingjing;Miao, Jinghui;Mao, Haijun;Li, Fan;Chen, Chao;Zeng, Fei;Pan, Feng;
7:3:28:11 Gate Control of Percolative Conduction in Strongly Correlated Manganite Films
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7:3:28:12 All-solid-state electric-double-layer transistor based on oxide ion migration in Gd-doped CeO2 on SrTiO3 single crystal
DOI:10.1063/1.4818736 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Tsuchiya, Takashi;Terabe, Kazuya;Aono, Masakazu;
7:3:28:13 Electric field effect on superconductivity in La2-xSrxCuO4
DOI:10.1063/1.4726158 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:6 AU: Dubuis, G.;Bollinger, A. T.;Pavuna, D.;Bozovic, I.;
7:3:28:14 Superconducting cuprate heterostructures for hot electron bolometers
DOI:10.1063/1.4834298 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Wen, B.;Yakobov, R.;Vitkalov, S. A.;Sergeev, A.;
7:3:28:15 Phase diagrams of strained Ca1-xCexMnO3 films
DOI:10.1063/1.4768198 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Xiang, P. -H.;Yamada, H.;Akoh, H.;Sawa, A.;
7:3:29:1 Strictly one-dimensional electron system in Au chains on Ge(001) revealed by photoelectron k-space mapping
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7:3:29:2 Surface core-level shifts on clean Si(001) and Ge(001) studied with photoelectron spectroscopy and density functional theory calculations
DOI:10.1103/PhysRevB.81.125443 JN:PHYSICAL REVIEW B PY:2010 TC:21 AU: Eriksson, P. E. J.;Uhrberg, R. I. G.;
7:3:29:3 Local atomic and electronic structure of Au-adsorbed Ge(001) surfaces: Scanning tunneling microscopy and x-ray photoemission spectroscopy
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7:3:29:4 Epitaxial growth of Au on Ge(001) surface: Photoelectron spectroscopy measurements and first-principles calculations
DOI:10.1016/j.tsf.2013.12.049 JN:THIN SOLID FILMS PY:2014 TC:1 AU: Popescu, Dana G.;Husanu, Marius A.;
7:3:29:5 Shape of metallic band at single-domain Au-adsorbed Ge(001) surface studied by angle-resolved photoemission spectroscopy
DOI:10.1103/PhysRevB.84.115411 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Nakatsuji, Kan;Motomura, Yuya;Niikura, Ryota;Komori, Fumio;
7:3:29:6 Valence band and core-level photoemission of Au/Ge(001): Band mapping and bonding sites
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7:3:29:7 Structural examination of Au/Ge(001) by surface x-ray diffraction and scanning tunneling microscopy
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7:3:29:8 Absence of Luttinger liquid behavior in Au-Ge wires: A high-resolution scanning tunneling microscopy and spectroscopy study
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7:3:29:9 First-principles studies of Au-induced nanowires on Ge(001)
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7:3:29:10 Temperature- and exposure-dependent study of the Ge(001)c(8 x 2)-Au surface
DOI:10.1103/PhysRevB.83.033302 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Gallagher, M. C.;Melnik, S.;Mahler, D.;
7:3:29:11 Symmetry-Breaking Phase Transition without a Peierls Instability in Conducting Monoatomic Chains
DOI:10.1103/PhysRevLett.107.165702 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:8 AU: Blumenstein, C.;Schaefer, J.;Morresi, M.;Mietke, S.;Matzdorf, R.;Claessen, R.;
7:3:29:12 First-principles description of atomic gold chains on Ge(001)
DOI:10.1103/PhysRevB.81.041415 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Lopez-Moreno, S.;Romero, A. H.;Munoz, A.;Schwingenschloegl, U.;
7:3:29:13 Dispersive resonance bands within the space-charge layer of a metal-semiconductor junction
DOI:10.1103/PhysRevB.81.245406 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Tang, S. -J.;Chang, Tay-Rong;Huang, Chien-Chung;Lee, Chang-Yeh;Cheng, Cheng-Maw;Tsuei, Ku-Ding;Jeng, H. -T.;Mou, Chung-Yu;
7:3:29:14 Dynamics of the wetting-induced nanowire reconstruction of Au/Ge(001)
DOI:10.1103/PhysRevB.88.085415 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Safaei, A.;van Houselt, A.;Poelsema, B.;Zandvliet, H. J. W.;van Gastel, R.;
7:3:29:15 Dimer-T-3 reconstruction of the Sm/Si(100)(2 x 3) surface studied by high-resolution photoelectron spectroscopy and density functional theory calculations
DOI:10.1103/PhysRevB.84.245322 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Kuzmin, M.;Punkkinen, M. P. J.;Laukkanen, P.;Lang, J. J. K.;Dahl, J.;Tuominen, M.;Tuominen, V.;Adell, J.;Balasubramanian, T.;Vitos, L.;Kokko, K.;
7:3:29:16 The reaction of Si(001) with magnesium and calcium
DOI:10.1063/1.3549256 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Pi, T. -W.;Cheng, C. -P.;Wertheim, G. K.;
7:3:29:17 Atomic structure of Yb/Si(100)(2X6): Interrelation between the silicon dimer arrangement and Si 2p photoemission line shape
DOI:10.1103/PhysRevB.82.113302 JN:PHYSICAL REVIEW B PY:2010 TC:5 AU: Kuzmin, M.;Punkkinen, M. P. J.;Laukkanen, P.;Perala, R. E.;Tuominen, V.;Lang, J. J. K.;Ahola-Tuomi, M.;Dahl, J.;Balasubramanian, T.;Johansson, B.;Vitos, L.;Vayrynen, I. J.;
7:3:29:18 Density of states anomalies in multichannel quantum wires
DOI:10.1103/PhysRevB.84.075443 JN:PHYSICAL REVIEW B PY:2011 TC:1 AU: Yoshioka, Hideo;Shima, Hiroyuki;
7:3:29:19 Surface core-level shifts on Ge(111)c(2 x 8): Experiment and theory
DOI:10.1103/PhysRevB.83.245319 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Kuzmin, M.;Punkkinen, M. P. J.;Laukkanen, P.;Lang, J. J. K.;Dahl, J.;Tuominen, V.;Tuominen, M.;Perala, R. E.;Balasubramanian, T.;Adell, J.;Johansson, B.;Vitos, L.;Kokko, K.;Vayrynen, I. J.;
7:3:29:20 Sodium chloride on Si(100) grown by molecular beam epitaxy
DOI:10.1103/PhysRevB.83.085305 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Chung, Jen-Yang;Li, Hong-Dao;Chang, Wan-Heng;Leung, T. C.;Lin, Deng-Sung;
7:3:29:21 Two-dimensional states localized in subsurface layers of Ge(111)
DOI:10.1103/PhysRevB.88.245310 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;
7:3:29:22 Surface reconstruction at the initial Ge adsorption stage on Si(114)-2 x 1
DOI:10.1116/1.4792243 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A PY:2013 TC:0 AU: Duvjir, Ganbat;Kim, Hidong;Dugerjav, Otgonbayar;Li, Huiting;Motlak, Moaaed;Arvisbaatar, Amarmunkh;Seo, Jae M.;
7:3:30:1 The origin of oxygen in oxide thin films: Role of the substrate
DOI:10.1063/1.3515849 JN:APPLIED PHYSICS LETTERS PY:2010 TC:33 AU: Schneider, C. W.;Esposito, M.;Marozau, I.;Conder, K.;Doebeli, M.;Hu, Yi;Mallepell, M.;Wokaun, A.;Lippert, T.;
7:3:30:2 Room-Temperature Giant Persistent Photoconductivity in SrTiO3/LaAlO3 Heterostructures
DOI:10.1021/nn203991q JN:ACS NANO PY:2012 TC:39 AU: Tebano, Antonello;Fabbri, Emiliana;Pergolesi, Daniele;Balestrino, Giuseppe;Traversa, Enrico;
7:3:30:3 Metal-Insulator Transition in SrTiO3-x Thin Films Induced by Frozen-Out Carriers
DOI:10.1103/PhysRevLett.107.146802 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:24 AU: Liu, Z. Q.;Leusink, D. P.;Wang, X.;Lu, W. M.;Gopinadhan, K.;Annadi, A.;Zhao, Y. L.;Huang, X. H.;Zeng, S. W.;Huang, Z.;Srivastava, A.;Dhar, S.;Venkatesan, T.;Ariando;
7:3:30:4 Hybrid density functional study of oxygen vacancies in KTaO3 and NaTaO3
DOI:10.1103/PhysRevB.83.214107 JN:PHYSICAL REVIEW B PY:2011 TC:11 AU: Choi, Minseok;Oba, Fumiyasu;Tanaka, Isao;
7:3:30:5 Reversible room-temperature ferromagnetism in Nb-doped SrTiO3 single crystals
DOI:10.1103/PhysRevB.87.220405 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Liu, Z. Q.;Lu, W. M.;Lim, S. L.;Qiu, X. P.;Bao, N. N.;Motapothula, M.;Yi, J. B.;Yang, M.;Dhar, S.;Venkatesan, T.;Ariando;
7:3:30:6 Oxygen vacancies-induced metal-insulator transition in La2/3Sr1/3VO3 thin films: Role of the oxygen substrate-to-film transfer
DOI:10.1063/1.4896159 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Hu, L.;Luo, X.;Zhang, K. J.;Tang, X. W.;Zu, L.;Kan, X. C.;Chen, L.;Zhu, X. B.;Song, W. H.;Dai, J. M.;Sun, Y. P.;
7:3:30:7 Origin of the diverse behavior of oxygen vacancies in ABO(3) perovskites: A symmetry based analysis
DOI:10.1103/PhysRevB.85.201201 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Yin, Wan-Jian;Wei, Su-Huai;Al-Jassim, Mowafak M.;Yan, Yanfa;
7:3:30:8 Pulsed laser deposition-induced reduction of SrTiO3 crystals
DOI:10.1016/j.actamat.2009.09.024 JN:ACTA MATERIALIA PY:2010 TC:26 AU: Scullin, Matthew L.;Ravichandran, Jayakanth;Yu, Choongho;Huijben, Mark;Seidel, Jan;Majumdar, Arun;Ramesh, R.;
7:3:30:9 Chemical potential shift and gap-state formation in SrTiO3-delta revealed by photoemission spectroscopy
DOI:10.1063/1.4892397 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Pal, Prabir;Kumar, Pramod;Aswin, V.;Dogra, Anjana;Joshi, Amish G.;
7:3:30:10 Magnetic-field induced resistivity minimum with in-plane linear magnetoresistance of the Fermi liquid in SrTiO3-x single crystals
DOI:10.1103/PhysRevB.85.155114 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Liu, Z. Q.;Lu, W. M.;Wang, X.;Huang, Z.;Annadi, A.;Zeng, S. W.;Venkatesan, T.;Ariando;
7:3:30:11 Surface electronic inhomogeneity of the (001)-SrTiO3:Nb crystal with a terrace-structured morphology
DOI:10.1063/1.4825047 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Li, Y.;Sun, J. R.;Zhao, J. L.;Shen, B. G.;
7:3:30:12 Persistent photoconductivity in oxygen deficient YBa2Cu3O7-delta/La2/3Ca1/3MnO3-x superlattices grown by pulsed laser deposition
DOI:10.1063/1.4821746 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Kawashima, Kazuhiro;Soltan, Soltan;Logvenov, Gennady;Habermeier, Hanns-Ulrich;
7:3:31:1 Large Increase of the Curie Temperature by Orbital Ordering Control
DOI:10.1103/PhysRevLett.104.046804 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:33 AU: Sadoc, Aymeric;Mercey, Bernard;Simon, Charles;Grebille, Dominique;Prellier, Wilfrid;Lepetit, Marie-Bernadette;
7:3:31:2 Effect of strain on the orbital and magnetic ordering of manganite thin films and their interface with an insulator
DOI:10.1103/PhysRevB.83.064424 JN:PHYSICAL REVIEW B PY:2011 TC:15 AU: Baena, A.;Brey, L.;Calderon, M. J.;
7:3:31:3 Theory of Strain-Controlled Magnetotransport and Stabilization of the Ferromagnetic Insulating Phase in Manganite Thin Films
DOI:10.1103/PhysRevLett.110.157201 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:10 AU: Mukherjee, Anamitra;Cole, William S.;Woodward, Patrick;Randeria, Mohit;Trivedi, Nandini;
7:3:31:4 Magnetic and orbital order in LaMnO3 under uniaxial strain: A model study
DOI:10.1103/PhysRevB.81.174423 JN:PHYSICAL REVIEW B PY:2010 TC:14 AU: Nanda, B. R. K.;Satpathy, S.;
7:3:31:5 Intrinsic insulating ferromagnetism in manganese oxide thin films
DOI:10.1103/PhysRevB.89.064415 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Hou, Y. S.;Xiang, H. J.;Gong, X. G.;
7:3:31:6 Magnetotransport anisotropy in lattice-misfit-strained ultrathin La2/3Ca1/3MnO3 films epitaxially grown on (110)-oriented SrTiO3 and LaAlO3 substrates
DOI:10.1063/1.4732096 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Guo, N. L.;Li, J.;Wei, Y. F.;Zhang, Y.;Cui, L. M.;Zhao, L.;Jin, Y. R.;Tian, H. Y.;Deng, Hui;Zhao, G. P.;Zheng, D. N.;
7:3:31:7 Electronic structure and magneto-optical spectra of LaxSr1-xMnO3 perovskites: Theory and experiment
DOI:10.1103/PhysRevB.85.125124 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Uba, L.;Uba, S.;Germash, L. P.;Bekenov, L. V.;Antonov, V. N.;
7:3:31:8 Jahn-Teller distortion and magnetic structure in LaMnO3: A first-principles theoretical study with full structure optimizations
DOI:10.1103/PhysRevB.82.045124 JN:PHYSICAL REVIEW B PY:2010 TC:14 AU: Hashimoto, T.;Ishibashi, S.;Terakura, K.;
7:3:31:9 Three-dimensional strain state and spacer thickness-dependent properties of epitaxial Pr0.7Sr0.3MnO3/La0.5Ca0.5MnO3/Pr0.7Sr0.3MnO3 trilayer structure
DOI:10.1063/1.4884995 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Wang, Haiou;Zhang, Jie;Jia, Quanjie;Xu, Feng;Tan, Weishi;Huo, Dexuan;Gao, Ju;
7:3:31:10 Orbital anisotropy in paramagnetic manganese oxide nanostripes
DOI:10.1103/PhysRevB.87.241407 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Altieri, S.;Allegretti, F.;Steurer, W.;Surnev, S.;Finazzi, M.;Sessi, V.;Brookes, N. B.;Valeri, S.;Netzer, F. P.;
7:3:31:11 Bandwidth-limited control of orbital and magnetic orders in half-doped manganites by epitaxial strain
DOI:10.1103/PhysRevB.89.075107 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Gutierrez, D.;Radaelli, G.;Sanchez, F.;Bertacco, R.;Fontcuberta, J.;
7:3:31:12 Significant increasing of onset temperature of FM transition in LSMO thin films
DOI:10.1016/j.apsusc.2012.10.005 JN:APPLIED SURFACE SCIENCE PY:2013 TC:7 AU: Chromik, Stefan;Strbik, Vladimir;Dobrocka, Edmund;Dujavova, Agata;Reiffers, Marian;Liday, Jozef;Spankova, Marianna;
7:3:31:13 Observation of the Strain Induced Magnetic Phase Segregation in Manganite Thin Films
DOI:10.1021/nl503834b JN:NANO LETTERS PY:2015 TC:1 AU: Marin, Lorena;Rodriguez, Luis A.;Magen, Cesar;Snoeck, Etienne;Arras, Remi;Lucas, Irene;Morellon, Luis;Algarabel, Pedro A.;De Teresa, Jose M.;Ricardo Ibarra, M.;
7:3:31:14 Density functional studies of LaMnO3 under uniaxial strain
DOI:10.1016/j.jmmm.2010.07.017 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:4 AU: Nanda, B. R. K.;Satpathy, S.;
7:3:31:15 Magnetoresistance studies of La2/3Sr1/3MnO3-YBa2Cu3O7-La2/3Sr1/3MnO3 trilayers with ferromagnetic coupling along the nodal direction of YBa2Cu3O7
DOI:10.1103/PhysRevB.81.014515 JN:PHYSICAL REVIEW B PY:2010 TC:5 AU: Mandal, Soumen;
7:3:31:16 Surface antiferromagnetism and incipient metal-insulator transition in strained manganite films
DOI:10.1103/PhysRevB.87.214420 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Cossu, F.;Schwingenschloegl, U.;Colizzi, G.;Filippetti, A.;Fiorentini, Vincenzo;
7:3:31:17 Jahn-Teller distortion and magnetic structure in LaMnO3: A first-principles theoretical study with full structure optimizations (vol 82, 045124, 2010)
DOI:10.1103/PhysRevB.82.079903 JN:PHYSICAL REVIEW B PY:2010 TC:0 AU: Hashimoto, T.;Ishibashi, S.;Terakura, K.;
7:3:31:18 Stray field enhanced vortex dissipation in YBa2Cu3O7/La0.7Sr0.3MnO3/YBa2Cu3O7 hetero-epitaxial tri-layer
DOI:10.1063/1.4813110 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Joseph, D. Paul;Hsu, Daniel;Lin, J. G.;
7:3:31:19 LSMO thin films with high metal-insulator transition temperature on buffered SOI substrates for uncooled microbolometers
DOI:10.1016/j.apsusc.2014.05.051 JN:APPLIED SURFACE SCIENCE PY:2014 TC:0 AU: Chromik, S.;Strbik, V.;Dobrocka, E.;Roch, T.;Rosova, A.;Spankova, M.;Lalinsky, T.;Vanko, G.;Lobotka, P.;Ralbovsky, M.;Choleva, P.;
7:3:32:1 Interface properties of magnetic tunnel junction La0.7Sr0.3MnO3/SrTiO3 superlattices studied by standing-wave excited photoemission spectroscopy
DOI:10.1103/PhysRevB.82.205116 JN:PHYSICAL REVIEW B PY:2010 TC:22 AU: Gray, A. X.;Papp, C.;Balke, B.;Yang, S. -H.;Huijben, M.;Rotenberg, E.;Bostwick, A.;Ueda, S.;Yamashita, Y.;Kobayashi, K.;Gullikson, E. M.;Kortright, J. B.;de Groot, F. M. F.;Rijnders, G.;Blank, D. H. A.;Ramesh, R.;Fadley, C. S.;
7:3:32:2 Tuning the dead-layer behavior of La0.67Sr0.33MnO3/SrTiO3 via interfacial engineering
DOI:10.1063/1.4866461 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Peng, R.;Xu, H. C.;Xia, M.;Xia, M.;Zhao, J. F.;Xie, X.;Xu, D. F.;Xie, B. P.;Feng, D. L.;
7:3:32:3 Depth Profiling Charge Accumulation from a Ferroelectric into a Doped Mott Insulator
DOI:10.1021/acs.nanolett.5b00104 JN:NANO LETTERS PY:2015 TC:2 AU: Marinova, Maya;Rault, Julien E.;Gloter, Alexandre;Nemsak, Slavomir;Palsson, Gunnar K.;Rueff, Jean-Pascal;Fadley, Charles S.;Carretero, Cecile;Yamada, Hiroyuki;March, Katia;Garcia, Vincent;Fusil, Stephane;Barthelemy, Agnes;Stephan, Odile;Colliex, Christian;Bibes, Manuel;
7:3:32:4 Evolution of the band alignment at polar oxide interfaces
DOI:10.1103/PhysRevB.82.161407 JN:PHYSICAL REVIEW B PY:2010 TC:11 AU: Burton, J. D.;Tsymbal, E. Y.;
7:3:32:5 Termination layer dependence of Schottky barrier height for La0.6Sr0.4MnO3/Nb:SrTiO3 heterojunctions
DOI:10.1103/PhysRevB.81.235322 JN:PHYSICAL REVIEW B PY:2010 TC:12 AU: Minohara, M.;Yasuhara, R.;Kumigashira, H.;Oshima, M.;
7:3:32:6 Preventing the Reconstruction of the Polar Discontinuity at Oxide Heterointerfaces
DOI:10.1002/adfm.201102763 JN:ADVANCED FUNCTIONAL MATERIALS PY:2012 TC:18 AU: Boschker, H.;Verbeeck, J.;Egoavil, R.;Bals, S.;van Tendeloo, G.;Huijben, M.;Houwman, E. P.;Koster, G.;Blank, D. H. A.;Rijnders, G.;
7:3:32:7 Preferential occupation of interface bands in La2/3Sr1/3MnO3 films as seen via angle-resolved photoemission
DOI:10.1103/PhysRevB.82.214407 JN:PHYSICAL REVIEW B PY:2010 TC:10 AU: Tebano, A.;Orsini, A.;Medaglia, P. G.;Di Castro, D.;Balestrino, G.;Freelon, B.;Bostwick, A.;Chang, Young Jun;Gaines, G.;Rotenberg, E.;Saini, N. L.;
7:3:32:8 Optimal interface doping at La2/3Sr1/3MnO3/SrTiO3(001) heterojunctions for spintronic applications
DOI:10.1063/1.4802732 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Wang, C.;Stojic, N.;Binggeli, N.;
7:3:32:9 Determination of layer-resolved composition, magnetization, and electronic structure of an Fe/MgO tunnel junction by standing-wave core and valence photoemission
DOI:10.1103/PhysRevB.84.184410 JN:PHYSICAL REVIEW B PY:2011 TC:12 AU: Yang, See-Hun;Balke, Benjamin;Papp, Christian;Doering, Sven;Berges, Ulf;Plucinski, L.;Westphal, Carsten;Schneider, Claus M.;Parkin, Stuart S. P.;Fadley, Charles S.;
7:3:32:10 Influence of the interface atomic structure on the magnetic and electronic properties of La2/3Sr1/3MnO3/SrTiO3(001) heterojunctions
DOI:10.1103/PhysRevB.82.245311 JN:PHYSICAL REVIEW B PY:2010 TC:5 AU: Zheng, Bing;Binggeli, Nadia;
7:3:32:11 Making use of x-ray optical effects in photoelectron-, Auger electron-, and x-ray emission spectroscopies: Total reflection, standing-wave excitation, and resonant effects
DOI:10.1063/1.4790171 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:9 AU: Yang, S. -H.;Gray, A. X.;Kaiser, A. M.;Mun, B. S.;Sell, B. C.;Kortright, J. B.;Fadley, C. S.;
7:3:32:12 Hard x-ray photoemission using standing-wave excitation applied to the MgO/Fe interface
DOI:10.1103/PhysRevB.83.165444 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Doering, Sven;Schoenbohm, Frank;Berges, Ulf;Schreiber, Reinert;Buergler, Daniel E.;Schneider, Claus M.;Gorgoi, Mihaela;Schaefers, Franz;Papp, Christian;Balke, Benjamin;Fadley, Charles S.;Westphal, Carsten;
7:3:32:13 Structural investigation of the three-layer system MgO/Fe/GaAs(001) by means of photoelectron spectroscopy and diffraction
DOI:10.1103/PhysRevB.88.045313 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Handschak, D.;Luehr, T.;Schoenbohm, F.;Doering, S.;Keutner, C.;Berges, U.;Westphal, C.;
7:3:32:14 Standing-wave excited soft x-ray photoemission microscopy: Application to Co microdot magnetic arrays
DOI:10.1063/1.3478215 JN:APPLIED PHYSICS LETTERS PY:2010 TC:7 AU: Gray, Alexander X.;Kronast, Florian;Papp, Christian;Yang, See-Hun;Cramm, Stefan;Krug, Ingo P.;Salmassi, Farhad;Gullikson, Eric M.;Hilken, Dawn L.;Anderson, Erik H.;Fischer, Peter;Duumlrr, Hermann A.;Schneider, Claus M.;Fadley, Charles. S.;
7:3:32:15 Nondestructive characterization of a TiN metal gate: Chemical and structural properties by means of standing-wave hard x-ray photoemission spectroscopy
DOI:10.1063/1.4765720 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Papp, C.;Conti, G.;Balke, B.;Ueda, S.;Yamashita, Y.;Yoshikawa, H.;Uritsky, Y. S.;Kobayashi, K.;Fadley, C. S.;
7:3:32:16 Depth profiling the potential in perovskite oxide heterojunctions using photoemission spectroscopy
DOI:10.1103/PhysRevB.85.165108 JN:PHYSICAL REVIEW B PY:2012 TC:0 AU: Minohara, M.;Horiba, K.;Kumigashira, H.;Ikenaga, E.;Oshima, M.;
7:3:32:17 Theoretical study of the heteroepitaxial growth of Pd on Cu(111), Pd on Ni(111), Ni on Pd(111), and Cu on Pd(111) using a semiempirical method
DOI:10.1103/PhysRevB.81.085437 JN:PHYSICAL REVIEW B PY:2010 TC:1 AU: Negreiros, F. R.;Soares, E. A.;de Siervo, A.;Paniago, R.;de Carvalho, V. E.;Landers, R.;
7:3:32:18 Electrochemical impedance analysis of electric field dependence of the permittivity of SrTiO3 and TiO2 single crystals
DOI:10.1063/1.3530612 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:7 AU: Matsumoto, Yuji;Takata, Shintaro;Tanaka, Ryohei;Hachiya, Atsushi;
7:3:32:19 Rare-earth oxide/TiN gate stacks on high mobility strained silicon on insulator for fully depleted metal-oxide-semiconductor field-effect transistors
DOI:10.1116/1.3533760 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2011 TC:2 AU: Oezben, E. Durgun;Lopes, J. M. J.;Nichau, A.;Luptak, R.;Lenk, S.;Besmehn, A.;Bourdelle, K. K.;Zhao, Q. T.;Schubert, J.;Mantl, S.;
7:3:33:1 Electronic transport and conduction mechanism transition in La1/3Sr2/3FeO3 thin films
DOI:10.1063/1.4883541 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Devlin, R. C.;Krick, A. L.;Sichel-Tissot, R. J.;Xie, Y. J.;May, S. J.;
7:3:33:2 Control of Functional Responses Via Reversible Oxygen Loss in La1-xSrxFeO3-delta Films
DOI:10.1002/adma.201304374 JN:ADVANCED MATERIALS PY:2014 TC:13 AU: Xie, Yujun;Scafetta, Mark D.;Sichel-Tissot, Rebecca J.;Moon, Eun Ju;Devlin, Robert C.;Wu, Hanqi;Krick, Alex L.;May, Steven J.;
7:3:33:3 Optical absorption in epitaxial La1-xSrxFeO3 thin films
DOI:10.1063/1.4794145 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Scafetta, M. D.;Xie, Y. J.;Torres, M.;Spanier, J. E.;May, S. J.;
7:3:33:4 Electronic phase diagram of epitaxial La1-xSrxFeO3 films
DOI:10.1063/1.4893139 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Xie, Y. J.;Scafetta, M. D.;Moon, E. J.;Krick, A. L.;Sichel-Tissot, R. J.;May, S. J.;
7:3:33:5 Charge disproportionation in La1-xCaxFeO3-delta (x=0.4 and 0.5) investigated by mechanical spectroscopy
DOI:10.1063/1.4869662 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Xu, Z. C.;Liu, M. F.;Chen, C. C.;Ying, X. N.;
7:3:33:6 Oxygen vacancies and their effects on tilting transition in perovskite (La1-xPrx)(1/3)Sr2/3FeO3-delta investigated by mechanical spectroscopy
DOI:10.1063/1.4893155 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Xu, Z. C.;Chen, C. C.;Ying, X. N.;
7:3:33:7 Role of magnetic exchange energy on charge ordering in R1/3Sr2/3FeO3 (R = La, Pr, and Nd)
DOI:10.1103/PhysRevB.84.224115 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Ma, J.;Yan, J. -Q.;Diallo, S. O.;Stevens, R.;Llobet, A.;Trouw, F.;Abernathy, D. L.;Stone, M. B.;McQueeney, R. J.;
7:3:33:8 Anelastic spectroscopy study of the metal-insulator transition of Nd1-xEuxNiO3
DOI:10.1103/PhysRevB.84.125127 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Cordero, F.;Trequattrini, F.;Barbeta, V. B.;Jardim, R. F.;Torikachvili, M. S.;
7:3:33:9 Complex charge ordering phenomena in La1-xSrxFeO3-delta investigated by mechanical spectroscopy
DOI:10.1063/1.4767354 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Ying, X. N.;
7:3:33:10 Quasi-two-dimensional d-spin and p-hole ordering in the three-dimensional perovskite La1/3Sr2/3FeO3
DOI:10.1103/PhysRevB.82.132402 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Okamoto, J.;Huang, D. J.;Chao, K. S.;Huang, S. W.;Hsu, C. -H.;Fujimori, A.;Masuno, A.;Terashima, T.;Takano, M.;Chen, C. T.;
7:3:33:11 Spin-assisted covalent bond mechanism in "charge-ordering" perovskite oxides
DOI:10.1103/PhysRevB.86.195144 JN:PHYSICAL REVIEW B PY:2012 TC:42 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;Phonon softening and dispersion in EuTiO3;PHYSICAL REVIEW B;86;22;220301;10.1103/PhysRevB.86.220301;DEC 4 2012;2012;We measured phonon dispersion in single-crystal EuTiO3 using inelastic;x-ray scattering. Astructural transition to an antiferrodistortive phase;was found at a critical temperature T-0 = 287 +/- 1K using powder and;single-crystal x-ray diffraction. Clear softening of the zone boundary;R-point q = (0.5 0.5 0.5) acoustic phonon shows this to be a displacive;transition. The mode energy plotted against reduced temperature could be;seen to nearly overlap that of SrTiO3, suggesting a universal scaling;relation. Phonon dispersion was measured along Gamma-X (0 0 0) -> (0.5 0;0). Mode eigenvectors were obtained from a shell model consistent with;the q dependence of intensity and energy, which also showed that the;dispersion is nominally the same as in SrTiO3 at room temperature, but;corrected for mass. The lowest-energy optical mode, determined to be of;Slater character, softens approximately linearly with temperature until;the 70-100 K range where the softening stops, and at low temperature,;the mode disperses linearly near the zone center.;7;0;0;0;7;1098-0121;WOS:000311910600001;;;J;Fock, J.;Leijnse, M.;Jennum, K.;Zyazin, A. S.;Paaske, J.;Hedegard, P.;Nielsen, M. Brondsted;van der Zant, H. S. J.;Manipulation of organic polyradicals in a single-molecule transistor;PHYSICAL REVIEW B;86;23;235403;10.1103/PhysRevB.86.235403;DEC 4 2012;2012;Inspired by cotunneling spectroscopy of spin-states in a single;OPE5-based molecule, we investigate the prospects for electric control;of magnetism in purely organic molecules contacted in a three-terminal;geometry. Using the gate electrode, the molecule is reversibly switched;between three different redox states, with magnetic spectra revealing;both ferromagnetic and antiferromagnetic exchange couplings on the;molecule. These observations are shown to be captured by an effective;low-energy Heisenberg model, which we substantiate microscopically by a;simple valence bond description of the molecule. These preliminary;findings suggest an interesting route towards functionalized all-organic;molecular magnetism.;Fock, Jeppe/A-9074-2011;Fock, Jeppe/0000-0002-7515-4026;3;0;0;0;3;1098-0121;WOS:000311911100003;;;J;Li, P. H. Y.;Bishop, R. F.;Campbell, C. E.;Farnell, D. J. J.;Goetze, O.;Richter, J.;Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice;PHYSICAL REVIEW B;86;21;214403;10.1103/PhysRevB.86.214403;DEC 4 2012;2012;We use the coupled-cluster method to study the zero-temperature;properties of an extended two-dimensional Heisenberg antiferromagnet;formed from spin-1/2 moments on an infinite spatially anisotropic kagome;lattice of corner-sharing isosceles triangles, with nearest-neighbor;bonds only. The bonds have exchange constants J(1) > 0 along two of the;three lattice directions and J(2) = kappa J(1) > 0 along the third. In;the classical limit, the ground-state (GS) phase for kappa < 1/2 has;collinear ferrimagnetic (Neel') order where the J(2)-coupled chain spins;are ferromagnetically ordered in one direction with the remaining spins;aligned in the opposite direction, while for kappa > 1/2 there exists an;infinite GS family of canted ferrimagnetic spin states, which are;energetically degenerate. For the spin-1/2 case, we find that quantum;analogs of both these classical states continue to exist as stable GS;phases in some regions of the anisotropy parameter kappa, namely, for 0;< kappa < kappa(c1) for the Neel' state and for (at least part of) the;region kappa > kappa(c2) for the canted phase. However, they are now;separated by a paramagnetic phase without either sort of magnetic order;in the region kappa(c1) < kappa < kappa(c2), which includes the;isotropic kagome point kappa = 1 where the stable GS phase is now;believed to be a topological (Z(2)) spin liquid. Our best numerical;estimates are kappa(c1) = 0.515 +/- 0.015 and kappa(c2) = 1.82 +/- 0.03.;Richter, Johannes/A-6339-2009; Bishop, Raymond/D-9715-2012;Bishop, Raymond/0000-0001-5565-0658;4;0;0;0;4;1098-0121;WOS:000311910100002;;;J;Monozon, B. S.;Schmelcher, P.;Bound and resonant impurity states in a narrow gapped armchair graphene;nanoribbon;PHYSICAL REVIEW B;86;24;245404;10.1103/PhysRevB.86.245404;DEC 4 2012;2012;An analytical study of discrete and resonant impurity quasi-Coulomb;states in a narrow gapped armchair graphene nanoribbon (GNR) is;performed. We employ the adiabatic approximation assuming that the;motions parallel ("slow") and perpendicular ("fast") to the boundaries;of the ribbon are separated adiabatically. The energy spectrum comprises;a sequence of series of quasi-Rydberg levels relevant to the slow motion;adjacent from the low energies to the size-quantized levels associated;with the fast motion. Only the series attributed to the ground;size-quantized subband is really discrete, while others corresponding to;the excited subbands consist of quasidiscrete (Fano resonant) levels of;nonzero energetic widths, caused by the coupling with the states of the;continuous spectrum branching from the low lying subbands. In the;two-and three-subband approximation the spectrum of the complex energies;of the impurity electron is derived in an explicit form. Narrowing the;GNR leads to an increase of the binding energy and the resonant width;both induced by the finite width of the ribbon. Displacing the impurity;center from the midpoint of the GNR causes the binding energy to;decrease, while the resonant width of the first excited Rydberg series;increases. As for the second excited series, their widths become;narrower with the shift of the impurity. A successful comparison of our;analytical results with those obtained by other theoretical and;experimental methods is presented. Estimates of the binding energies and;the resonant widths taken for the parameters of typical GNRs show that;not only the strictly discrete but also some resonant states are quite;stable and could be studied experimentally in doped GNRs.;Monozon, Boris/E-6412-2012; Schmelcher, Peter/D-9592-2014;Schmelcher, Peter/0000-0002-2637-0937;0;0;0;0;0;1098-0121;WOS:000311911900002;;;J;Thiaville, Andre;Vukadinovic, Nicolas;Acher, Olivier;Sum rule for the magnetic permeability of arbitrary textures;PHYSICAL REVIEW B;86;21;214404;10.1103/PhysRevB.86.214404;DEC 4 2012;2012;The f-sum rule for the magnetic permeability, derived previously for an;assembly of isolated macrospins, is generalized for an arbitrary;nonuniform three-dimensional magnetization texture, in which the;magnetizations at different points are coupled by exchange and;magnetostatic interactions. The sum value depends only on the magnetic;texture at rest. It has no direct contribution from the exchange energy,;but depends on the anisotropy, applied field, and demagnetizing;energies. The derived formula is tested against numerical calculations;for several complex and very different magnetization structures. This;generalized sum rule should be useful for experiments, numerical;simulations, and metrology.;1;0;0;0;1;1098-0121;WOS:000311910100003;;;J;Troc, R.;Gajek, Z.;Pikul, A.;Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as;seen in magnetic, transport, and specific-heat data;PHYSICAL REVIEW B;86;22;224403;10.1103/PhysRevB.86.224403;DEC 4 2012;2012;Single-crystalline UGe2 was investigated by means of magnetic;susceptibility, magnetization, electrical resistivity,;magnetoresistivity, and specific-heat measurements, all carried out in;wide temperature and magnetic-field ranges. An analysis of the obtained;data points out the dual behavior of the 5f electrons in this compound,;i. e., possessing simultaneously local and itinerant characters in two;substates. The magnetic and thermal characteristics of the compound were;modeled using the effective crystal field (CF) in the intermediate;coupling scheme and initial parameters obtained in the angular overlap;model. Various configurations of the localized 5f(n) (n = 1, 2, and 3);electrons on the uranium ion have been probed. The best results were;obtained for the 5f(2) (U4+) configuration. The CF parameters obtained;in the paramagnetic region allowed us to reproduce satisfactorily the;experimental findings in the whole temperature range including also the;magnitude of the ordered magnetic moment of uranium at low temperature.;The electrical resistivity data after subtraction of the phonon;contribution reveal the presence of a Kondo-like interaction in UGe2;supporting the idea of partial localization of the 5f electrons in UGe2.;On the other hand, magnetoresistivity and an excess of specific heat;originated from the hybridized (itinerant) part of 5f states, apparent;around the characteristic temperature T*, give a distinct signature for;the presence of the coupled charge-density wave and spin-density wave;fluctuations over all the ferromagnetic region with a maximum at T*,;postulated earlier in the literature.;7;0;0;0;7;1098-0121;WOS:000311910600004;;;J;Williams, T. J.;Yamani, Z.;Butch, N. P.;Luke, G. M.;Maple, M. B.;Buyers, W. J. L.;Neutron scattering study of URu2-xRexSi2 (x=0.10): Driving order towards;quantum criticality;PHYSICAL REVIEW B;86;23;235104;10.1103/PhysRevB.86.235104;DEC 4 2012;2012;We report inelastic neutron scattering measurements in the hidden order;state of URu2-xRexSi2 with x = 0.10. We observe that towards the;ferromagnetic quantum critical point induced by the negative chemical;pressure of Re doping, the gapped incommensurate fluctuations are robust;and comparable in intensity to the parent material. As the Re doping;moves the system toward the quantum critical point, the commensurate;spin fluctuations related to hidden order weaken, display a shortened;lifetime, and slow down. Halfway to the quantum critical point, the;hidden order phase survives, albeit weakened, in contrast to its;destruction by hydrostatic pressure and by positive chemical pressure;from Rh doping.;yamani, zahra/B-7892-2012; Luke, Graeme/A-9094-2010;0;0;0;0;0;1098-0121;WOS:000311911100001;;;J;Wolfowicz, Gary;Simmons, Stephanie;Tyryshkin, Alexei M.;George, Richard E.;Riemann, Helge;Abrosimov, Nikolai V.;Becker, Peter;Pohl, Hans-Joachim;Lyon, Stephen A.;Thewalt, Mike L. W.;Morton, John J. L.;Decoherence mechanisms of Bi-209 donor electron spins in isotopically;pure Si-28;PHYSICAL REVIEW B;86;24;245301;10.1103/PhysRevB.86.245301;DEC 4 2012;2012;Bismuth (Bi-209) is the deepest group V donor in silicon and possesses;the most extreme characteristics such as a 9/2 nuclear spin and a 1.5;GHz hyperfine coupling. These lead to several potential advantages for a;Si:Bi donor electron spin qubit compared to the more common phosphorus;donor. Most previous studies on Si: Bi have been performed using natural;silicon where linewidths and electron spin coherence times are limited;by the presence of Si-29 impurities. Here, we describe electron spin;resonance (ESR) and electron nuclear double resonance (ENDOR) studies on;Bi-209 in isotopically pure Si-28. ESR and ENDOR linewidths, transition;probabilities, and coherence times are understood in terms of the spin;Hamiltonian parameters showing a dependence on field and m(I) of the;Bi-209 nuclear spin. We explore various decoherence mechanisms;applicable to the donor electron spin, measuring coherence times up to;700 ms at 1.7 K at X band, comparable with Si-28:P. Importantly, the;coherence times we measure follow closely to the calculated field;gradients of the transition frequencies (df/dB), providing a strong;motivation to explore "clock" transitions where coherence lifetimes;could be further enhanced.;Morton, John/I-3515-2013;6;1;0;0;6;1098-0121;WOS:000311911900001;;;J;Armbruster, Oskar;Lungenschmied, Christoph;Bauer, Siegfried;Investigation of trap states and mobility in organic semiconductor;devices by dielectric spectroscopy: Oxygen-doped P3HT:PCBM solar cells;PHYSICAL REVIEW B;86;23;235201;10.1103/PhysRevB.86.235201;DEC 3 2012;2012;We investigate the dielectric response of solar cell devices based on;oxygen-doped poly(3-hexylthiophene):[6,6]-phenyl-C-61-butyric acid;methyl ester (P3HT:PCBM) blends as a function of temperature between 133;K and 303 K. The spectra are analyzed using a recently introduced model;[O. Armbruster, C. Lungenschmied, and S. Bauer, Phys. Rev. B 84, 085208;(2011)] which is based on a trapping and reemission mechanism of charge;carriers. A dominating trap depth of 130 meV is determined and the;broadening of this trap level identified as purely thermal. In addition;we estimate the density of charge carriers after doping as well as their;mobility. We show that the concentration of mobile holes approximately;doubles by heating the device from the lowest to the highest measured;temperature. This is indicative of a second, shallow trap level of;approximately 14 meV. Dielectric spectroscopy hence proves to be a;valuable tool to assess device parameters such as dopant concentration,;charge carrier transport characteristics, and mobility which are of;crucial interest for understanding degradation in organic semiconductor;devices.;Bauer, Siegfried/A-2354-2009; Armbruster, Oskar/G-1154-2014;Armbruster, Oskar/0000-0002-4235-4451;3;0;0;0;3;1098-0121;WOS:000311806300004;;;J;Chen, Bo;Abbey, Brian;Dilanian, Ruben;Balaur, Eugeniu;van Riessen, Grant;Junker, Mark;Tran, Chanh Q.;Jones, Michael W. M.;Peele, Andrew G.;McNulty, Ian;Vine, David J.;Putkunz, Corey T.;Quiney, Harry M.;Nugent, Keith A.;Diffraction imaging: The limits of partial coherence;PHYSICAL REVIEW B;86;23;235401;10.1103/PhysRevB.86.235401;DEC 3 2012;2012;Coherent diffraction imaging (CDI) typically requires that the source;should be highly coherent both laterally and longitudinally. In this;paper, we demonstrate that lateral and longitudinal partial coherence;can be successfully included in a CDI reconstruction algorithm;simultaneously using experimental x-ray data. We study the interplay;between lateral partial coherence and longitudinal partial coherence and;their relative influence on CDI. We compare our results against the;coherence criteria published by Spence et al. [Spence et al.,;Ultramicroscopy 101, 149 (2004)] and show that for iterative ab initio;phase-recovery algorithms based on those typically used in CDI and in;cases where the coherence properties are known, we are able to relax the;minimal coherence requirements by a factor of 2 both laterally and;longitudinally, potentially yielding significant reduction in exposure;time.;Jones, Michael/M-6895-2013; Abbey, Brian/D-3274-2011;Jones, Michael/0000-0002-0720-8715;;5;1;0;0;5;1098-0121;WOS:000311806300008;;;J;Gawarecki, Krzysztof;Lueker, Sebastian;Reiter, Doris E.;Kuhn, Tilmann;Glaessl, Martin;Axt, Vollrath Martin;Grodecka-Grad, Anna;Machnikowski, Pawel;Dephasing in the adiabatic rapid passage in quantum dots: Role of;phonon-assisted biexciton generation;PHYSICAL REVIEW B;86;23;235301;10.1103/PhysRevB.86.235301;DEC 3 2012;2012;We study the evolution of an exciton confined in a quantum dot;adiabatically controlled by a frequency-swept (chirped) laser pulse in;the presence of carrier-phonon coupling. We focus on the dynamics;induced by a linearly polarized beam and analyze the decoherence due to;phonon-assisted biexciton generation. We show that if the biexciton;state is shifted down by a few meV, as is typically the case, then the;resulting decoherence is strong even at low temperatures. As a result,;efficient state preparation is restricted to a small parameter area;corresponding to low temperatures, positive chirps, and moderate pulse;areas.;Kuhn, Tilmann/C-1190-2008;6;0;0;0;6;1098-0121;WOS:000311806300006;;;J;Hellstrom, Matti;Spangberg, Daniel;Hermansson, Kersti;Broqvist, Peter;Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface;PHYSICAL REVIEW B;86;23;235302;10.1103/PhysRevB.86.235302;DEC 3 2012;2012;The formation of Cu dimers on the ZnO(10 (1) over bar0) surface has been;studied using hybrid density functional theory. Depending on the;adsorption site, Cu atoms are found to adsorb with either oxidation;state 0 or +1. In the latter case, the Cu atom has donated an electron;to the ZnO conduction band. The two modes of adsorption display similar;stability at low coverages, while at higher coverages the neutral;species is more stable. Single Cu atoms diffuse across the ZnO(10 (1);over bar0) surface with small barriers of migration (0.3-0.4 eV) along;ZnO[1 (2) over bar 10], repeatedly switching their oxidation states,;while the barrier along ZnO[0001] is significantly higher (>1.5 eV). The;formation of a Cu dimer from two adsorbed Cu atoms is energetically;favorable with two competing structures of similar stability, both being;charge neutral. The minimum energy paths for Cu atom diffusion and dimer;formation are characterized by at least one of the two Cu atoms being in;oxidation state 0.;5;0;0;0;5;1098-0121;WOS:000311806300007;;;J;Huang, Yu-Kun;Chen, Pochung;Kao, Ying-Jer;Accurate computation of low-temperature thermodynamics for quantum spin;chains;PHYSICAL REVIEW B;86;23;235102;10.1103/PhysRevB.86.235102;DEC 3 2012;2012;We apply the biorthonormal transfer-matrix renormalization group (BTMRG);[Huang, Phys. Rev. E 83, 036702 (2011)] to study low-temperature;properties of quantum spin chains. Simulations on anisotropic Heisenberg;spin-1/2 chains demonstrate that the BTMRG outperforms the conventional;transfer-matrix renormalization group by successfully accessing far;lower temperature than previously reported, while retaining the same;level of accuracy. The power of the method is further illustrated by the;calculation of the low-temperature specific heat for a frustrated spin;chain.;Kao, Ying Jer/B-5297-2009; Chen, Pochung/G-1241-2010;Kao, Ying Jer/0000-0002-3329-6018;;4;0;0;0;4;1098-0121;WOS:000311806300002;;;J;Kim, Jin Hee;Rhyee, Jong-Soo;Kwon, Yong Seung;Magnon gap formation and charge density wave effect on thermoelectric;properties in the SmNiC2 compound;PHYSICAL REVIEW B;86;23;235101;10.1103/PhysRevB.86.235101;DEC 3 2012;2012;We studied the electrical, thermal, and thermoelectric properties of the;polycrystalline compound of SmNiC2. The electrical resistivity and;magnetization measurement show the interplay between the charge density;wave at T-CDW = 150 K and the ferromagnetic ordering of T-c = 18 K.;Below the ferromagnetic transition temperature, we observed the magnon;gap formation of Delta similar or equal to 4.3- 4.4 meV by rho(T) and;C-p (T) measurements. The charge density wave is attributed to the;increase of the Seebeck coefficient resulting in the increase of the;power factor S-2 sigma. The thermal conductivity anomalously increases;with increasing temperature along the whole measured temperature range,;which implies the weak attribution of Umklapp phonon scattering. The;thermoelectric figure of merit ZT significantly increases due to the;increase of the power factor at T-CDW = 150 K. Here we argue that the;competing interaction between electron-phonon and electron-magnon;couplings exhibits the unconventional behavior of electrical and thermal;properties.;6;0;1;0;6;1098-0121;WOS:000311806300001;;;J;Osorio-Guillen, J. M.;Larrauri-Pizarro, Y. D.;Dalpian, G. M.;Pressure-induced metal-insulator transition and absence of magnetic;order in FeGa3 from a first-principles study;PHYSICAL REVIEW B;86;23;235202;10.1103/PhysRevB.86.235202;DEC 3 2012;2012;The intermetallic compound FeGa3 is a narrow-gap semiconductor with a;measured gap between 0.2 and 0.6 eV. The presence of iron d states on;the top of the valence band and on the bottom of the conduction band,;together with its moderate electronic correlation (U/W similar to 0.6),;have led to the question of whether there is magnetic order in this;compound. We have examined the possible presence of magnetism in FeGa3;as well as its electronic structure at high pressures, using the density;functional theory (DFT) + U method with the intermediated;double-counting scheme. We have found that for an optimized value of the;Yukawa screening length., there is no magnetic moment on the iron ions;(mu = 0), implying that FeGa3 is nonmagnetic. We have also found that;around a pressure of 25 GPa a metal-insulator transition takes place.;Osorio-Guillen, Jorge/B-7587-2008; Dalpian, Gustavo/B-9746-2008;Osorio-Guillen, Jorge/0000-0002-7384-8999;;3;0;0;0;3;1098-0121;WOS:000311806300005;;;J;Yuan, Xun;Zhang, Yubo;Abtew, Tesfaye A.;Zhang, Peihong;Zhang, Wenqing;VO2: Orbital competition, magnetism, and phase stability;PHYSICAL REVIEW B;86;23;235103;10.1103/PhysRevB.86.235103;DEC 3 2012;2012;The relative phase stability of VO2 is one of the most fundamental;issues concerning the metal-insulator transition in this material but;has been so far largely unexplored theoretically. We investigate the;relative stability of various phases of VO2 using different levels of;energy functionals within density functional theory (DFT). It is found;that straightforward applications of several popular energy functionals,;including the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, result in;a wrong prediction for the ground state of VO2. In particular, although;the HSE and DFT + U methods are able to produce a band gap in the M-1;phase, they strongly favor the formation of local magnetic moments, a;result that clearly disagrees with experiments. We also examine the;effect of the occupation and the redistribution of the d derived t(2g);(i.e., d(xz), d(yz), and d(x2-y2)) orbitals of V atoms on the calculated;relative phase stability of VO2. We find that a small change in d;occupation can result in a drastically different theoretical prediction.;With the introduction of an orbital-dependent potential, a complete;separation between the d(x2-y2) derived valence band and d(xz) and d(yz);derived conduction bands in the M-1 phase is achieved, resulting in a;slight redistribution of the d occupation and a more faithful account of;the polarization of the t(2g) orbitals. This slight rearrangement of the;d occupation also leads to a relative phase stability of VO2 ( including;structural and magnetic phases) that agrees well with experiment.;Zhang, Wenqing/K-1236-2012; Zhang, Peihong/D-2787-2012;4;0;0;0;4;1098-0121;WOS:000311806300003;;;J;Campi, Davide;Bernasconi, Marco;Benedek, Giorgio;Electronic properties and lattice dynamics of the As(111) surface;PHYSICAL REVIEW B;86;24;245403;10.1103/PhysRevB.86.245403;DEC 3 2012;2012;The bulk and surface electronic and structural properties of As(111);have been studied with first-principles methods. The inclusion of;spin-orbit interaction reveals that As shares the same topologically;nontrivial order of the bulk electronic bands of Sb which gives rise to;two spin-polarized surface states connecting valence-like and;conduction-like states. Bulk and surface phonons have been calculated by;means of density functional perturbation theory. The surface phonon;bands reveal features related to a remarkable stiffening of the surface;bilayer with respect to the bulk ones similarly to what is measured for;the Bi(111) and to what is expected for the Sb(111) surface.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000311806500003;;;J;Chakraborty, Akash;Wenk, Paul;Bouzerar, Richard;Bouzerar, Georges;Spontaneous magnetization in the presence of nanoscale inhomogeneities;in diluted magnetic systems;PHYSICAL REVIEW B;86;21;214402;10.1103/PhysRevB.86.214402;DEC 3 2012;2012;The presence of nanoscale inhomogeneities has been experimentally;evidenced in several diluted magnetic systems, which in turn often leads;to interesting physical phenomena. However, a proper theoretical;understanding of the underlying physics is lacking in most of the cases.;Here, we present a detailed and comprehensive theoretical study of the;effects of nanoscale inhomogeneities on the temperature-dependent;spontaneous magnetization in diluted magnetic systems, which is found to;exhibit an unusual and unconventional behavior. The effects of impurity;clustering on the magnetization response have hardly been studied until;now. We show that nanosized clusters of magnetic impurities can lead to;drastic effects on the magnetization compared to that of homogeneously;diluted compounds. The anomalous nature of the magnetization curves;strongly depends on the relative concentration of the inhomogeneities as;well as the effective range of the exchange interactions. In addition,;we also provide a systematic discussion of the nature of the;distributions of the local magnetizations.;3;0;0;0;3;1098-0121;WOS:000311805500004;;;J;Dmitriev, A. P.;Gornyi, I. V.;Polyakov, D. G.;Coulomb drag between ballistic quantum wires;PHYSICAL REVIEW B;86;24;245402;10.1103/PhysRevB.86.245402;DEC 3 2012;2012;We develop a kinetic equation description of Coulomb drag between;ballistic one-dimensional electron systems, which enables us to;demonstrate that equilibration processes between right- and left-moving;electrons are crucially important for establishing dc drag. In;one-dimensional geometry, this type of equilibration requires either;backscattering near the Fermi level or scattering with small-momentum;transfer near the bottom of the electron spectrum. Importantly, pairwise;forward scattering in the vicinity of the Fermi surface alone is not;sufficient to produce a nonzero dc drag resistivity rho(D), in contrast;to a number of works that have studied Coulomb drag due to this;mechanism of scattering before. We show that slow equilibration between;two subsystems of electrons of opposite chirality, "bottlenecked" by;inelastic collisions involving cold electrons near the bottom of the;conduction band, leads to a strong suppression of Coulomb drag, which;results in an activation dependence of rho(D) on temperature, instead of;the conventional power law. We demonstrate the emergence of a drag;regime in which rho(D) does not depend on the strength of interwire;interactions, while depending strongly on the strength of interactions;inside the wires.;4;0;0;0;4;1098-0121;WOS:000311806500002;;;J;Etz, Corina;Costa, Marcio;Eriksson, Olle;Bergman, Anders;Accelerating the switching of magnetic nanoclusters by anisotropy-driven;magnetization dynamics;PHYSICAL REVIEW B;86;22;224401;10.1103/PhysRevB.86.224401;DEC 3 2012;2012;In this work, the magnetization dynamics of clusters supported on;nonmagnetic substrates is shown to exhibit a complex response when;subjected to external magnetic fields. The field-driven magnetization;reversal of small Co clusters deposited on a Cu(111) surface has been;studied by means of first-principles calculations and atomistic spin;dynamics simulations. For applied fields ranging from 1 to 10 Tesla, we;observe a coherent magnetization reversal with switching times in the;range of several tenths of picoseconds to several nanoseconds, depending;on the field strength. We find a nonmonotonous dependence of the;switching times with respect to the strength of the applied field, which;we prove has its origin in the complex magnetic anisotropy landscape of;these low-dimensional systems. This effect is shown to be stable for;temperatures around 10 K, and is possible to realize over a range of;exchange interactions and anisotropy landscapes. Possible experimental;routes to achieve this unique switching behavior are discussed.;Bergman, Anders/H-7996-2012; Etz, Corina/E-3112-2014; Eriksson, Olle/E-3265-2014;Bergman, Anders/0000-0002-5134-1978;;3;1;0;0;3;1098-0121;WOS:000311805700003;;;J;Harada, S.;Zhou, J. J.;Yao, Y. G.;Inada, Y.;Zheng, Guo-qing;Abrupt enhancement of noncentrosymmetry and appearance of a spin-triplet;superconducting state in Li-2(Pd1-xPtx)(3)B beyond x=0.8;PHYSICAL REVIEW B;86;22;220502;10.1103/PhysRevB.86.220502;DEC 3 2012;2012;We report synthesis, Pt-195, B-11, and Li-7 NMR measurements, and;first-principles band calculations for noncentrosymmetric;superconductors Li-2(Pd1-xPtx)(3)B (x = 0, 0.2, 0.5, 0.8, 0.84, 0.9, and;1). For 0 <= x <= 0.8, the spin-lattice relaxation rate 1/T-1 shows a;clear coherence peak just below T-c, decreasing exponentially at low;temperature, and the Knight shift K-195 decreases below Tc. For x = 0.9;and 1.0, in contrast, 1/T-1 shows no coherence peak but a T-3 variation;and K-195 remains unchanged across T-c. These results indicate that the;superconducting state changes drastically from a spin-singlet dominant;to a spin-triplet dominant state at x = 0.8. We find that the distortion;of B(Pt,Pd)(6) increases abruptly above x = 0.8, which leads to an;abrupt enhancement of the asymmetric spin-orbit coupling as confirmed by;band calculation. Such structure distortion that enhances the extent of;inversion-symmetry breaking is primarily responsible for the pairing;symmetry evolution. The insight obtained here provides a guideline for;searching for noncentrosymmetric superconductors with a large;spin-triplet component.;Yao, Yugui/A-8411-2012; Zheng, Guo-qing/B-1524-2011;6;0;0;0;6;1098-0121;WOS:000311805700002;;;J;Huang, C. L.;Fritsch, V.;Kittler, W.;v. Loehneysen, H.;Low-temperature properties of CeAu2Ge2 single crystals grown from Au-Ge;and Sn flux;PHYSICAL REVIEW B;86;21;214401;10.1103/PhysRevB.86.214401;DEC 3 2012;2012;The specific heat of CeAu2Ge2 single crystals grown from Au-Ge (AGF) or;Sn flux (SF) was measured at temperatures T between 1.8 and 200 K. Two;magnetic transitions are observed in the zero-field specific heat at;12.1 and 14.5 K in the AGF sample, while only a single sharp transition;at 9.2 K is seen in the SF sample, confirming our recent susceptibility;results [Fritsch et al., Phys. Rev. B 84, 104446 (2011)]. We observe;several field-induced transitions in the magnetoresistance of the AGF;sample measured at 1.6 and 2.3 K in accordance with the B-T phase;diagram constructed from isothermal magnetization curves M(B). In;addition, we have measured M(B) under hydrostatic pressure P up to 10.5;kbar. The Neel temperature T-N increases linearly with P at a small rate;of 0.049 K/kbar, which suggests that, if T-N(P) is attributed to a pure;volume effect, this compound is close to the maximum transition;temperature of the Doniach diagram. The transition fields B-M between;the field-induced phases increase linearly with P as well. The;comparable Gruneisen parameters of T-N and B-M indicate that the energy;scale depending on the sample's volume is given by the antiferromagnetic;correlations and not by the Kondo effect. We discuss possible reasons;for the different magnetic behavior of AGF and SF samples.;Huang, Chien-Lung/O-2028-2013;2;0;0;0;2;1098-0121;WOS:000311805500003;;;J;Jadczak, J.;Kubisa, M.;Ryczko, K.;Bryja, L.;Potemski, M.;High magnetic field spin splitting of excitons in asymmetric GaAs;quantum wells;PHYSICAL REVIEW B;86;24;245401;10.1103/PhysRevB.86.245401;DEC 3 2012;2012;Low-temperature photoluminescence from high-quality GaAs quantum wells,;asymmetrically doped with carbon, are investigated under high magnetic;fields (up to 20 T) directed along the [001] growth axis. At higher;fields, in the sigma(-) polarized emission, we observe two well-resolved;lines which are attributed to the recombination of neutral (X) and;charged (X+) excitons. In contrast, only the neutral exciton line is;observed for the sigma(+) polarization. From the difference of the X;line positions for the two polarizations we determine the effective;Zeeman splitting of neutral excitons and then the g factor g(h) of;confined holes. We find that g(h) depends substantially on the well size;and changes the sign at moderate magnetic fields. To explain the;experimental results, the valence Landau levels are calculated using the;Luttinger model beyond the axial approximation. We demonstrate that;mainly the excited hole levels contribute to the excitonic state at;higher magnetic fields. Due to their light-hole character, resulting;from the valence-band mixing, the excited hole states have a sizable;overlap with the electron states confined far from the doped barrier.;The calculated values of g(h) are in an excellent quantitative agreement;with the experimental data.;2;0;0;0;2;1098-0121;WOS:000311806500001;;;J;Lane, Nina J.;Vogel, Sven C.;Hug, Gilles;Togo, Atsushi;Chaput, Laurent;Hultman, Lars;Barsoum, Michel W.;Neutron diffraction measurements and first-principles study of thermal;motion of atoms in select M(n+1)AX(n) and binary MX transition-metal;carbide phases;PHYSICAL REVIEW B;86;21;214301;10.1103/PhysRevB.86.214301;DEC 3 2012;2012;Herein, we compare the thermal vibrations of atoms in select ternary;carbides with the formula M(n+1)AX(n) ("MAX phases," M = Ti, Cr; A = Al,;Si, Ge; X = C, N) as determined from first-principles phonon;calculations to those obtained from high-temperature neutron powder;diffraction studies. The transition metal carbides TiC, TaC, and WC are;also studied to test our methodology on simpler carbides. Good;qualitative and quantitative agreement is found between predicted and;experimental values for the binary carbides. For all the MAX phases;studied-Ti3SiC2, Ti3GeC2, Ti2AlN, Cr2GeC and Ti4AlN3-density functional;theory calculations predict that the A element vibrates with the highest;amplitude and does so anisotropically with a higher amplitude within the;basal plane, which is in line with earlier results from high-temperature;neutron diffraction studies. In some cases, there are quantitative;differences in the absolute values between the theoretical and;experimental atomic displacement parameters (ADPs), such as reversal of;anisotropy or a systematic offset of temperature-dependent ADPs. The;mode-dependent Gruneisen parameters are also computed to explore the;anharmonicity in the system.;Lujan Center, LANL/G-4896-2012;4;0;0;0;4;1098-0121;WOS:000311805500002;;;J;Niemann, R.;Baro, J.;Heczko, O.;Schultz, L.;Faehler, S.;Vives, E.;Manosa, L.;Planes, A.;Tuning avalanche criticality: Acoustic emission during the martensitic;transformation of a compressed Ni-Mn-Ga single crystal;PHYSICAL REVIEW B;86;21;214101;10.1103/PhysRevB.86.214101;DEC 3 2012;2012;The propagation of a phase front during a thermally induced martensitic;transition is discontinuous due to pinning at various defects, an effect;which results in acoustic emission. Here we analyze the consequences of;an applied compressive stress exemplarily on a Ni50.4Mn27.9Ga21.7 single;crystal. Our experiments show that the distribution of the energies of;the acoustic emission events follows a power law for more than three;decades. This indicates that the transition exhibits avalanche;criticality. The exponent characterizing the distribution of energies;depends on the applied stress, and decreases from 1.9 +/- 0.1 at zero;stress to 1.5 +/- 0.2 at stress above 3 MPa. This decrease could be;attributed to the reduced multiplicity of variants possible under;uniaxial compression.;Niemann, Robert/F-3634-2012; Schultz, Ludwig/B-3383-2010; Manosa, Lluis/D-8579-2014; Heczko, Oleg/G-9355-2014; Vives, Eduard/I-4821-2014;Manosa, Lluis/0000-0002-1182-2670; Vives, Eduard/0000-0002-5916-7214;4;0;0;0;4;1098-0121;WOS:000311805500001;;;J;Usui, Hidetomo;Suzuki, Katsuhiro;Kuroki, Kazuhiko;Minimal electronic models for superconducting BiS2 layers;PHYSICAL REVIEW B;86;22;220501;10.1103/PhysRevB.86.220501;DEC 3 2012;2012;We construct minimal electronic models for a newly discovered;superconductor LaO1-xFxBiS2 (T-c = 10.6 K) possessing BiS2 layers based;on a first-principles band calculation. First, we obtain a model;consisting of two Bi 6p and two S 3p orbitals, which give nearly;electron-hole symmetric bands. Further focusing on the bands that;intersect the Fermi level, we obtain a model with two p orbitals. The;two bands (per BiS2 layer) have a quasi-one-dimensional character with a;double minimum dispersion, which gives good nesting of the Fermi;surface. At around x similar to 0.5 the topology of the Fermi surface;changes, so that the density of states at the Fermi level becomes large.;Possible pairing states are discussed.;42;0;0;0;42;1098-0121;WOS:000311805700001;;;J;Cammarata, Antonio;Rondinelli, James M.;
7:3:33:12 Enhanced charge ordering transition in doped CaFeO3 through steric templating
DOI:10.1103/PhysRevB.89.235106 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Jiang, Lai;Saldana-Greco, Diomedes;Schick, Joseph T.;Rappe, Andrew M.;
7:3:33:13 The effect of oxygen vacancies on the electronic phase transition in La1/3Sr2/3FeO3 films
DOI:10.1063/1.4833276 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Sichel-Tissot, Rebecca J.;Devlin, Robert C.;Ryan, Philip J.;Kim, Jong-Woo;May, Steven J.;
7:3:33:14 Defect ordering and defect-domain-wall interactions in PbTiO3: A first-principles study
DOI:10.1103/PhysRevB.88.214116 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;
7:3:33:15 The Mn-doping effect on the charge ordering state of La1/3Sr2/3FeO3
DOI:10.1016/j.jallcom.2010.09.038 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:3 AU: Kong Hui;Kong Zhang-Qing;Zhu Changfei;
7:3:33:16 Rigorous Definition of Oxidation States of Ions in Solids
DOI:10.1103/PhysRevLett.108.166403 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:8 AU: Jiang, Lai;Levchenko, Sergey V.;Rappe, Andrew M.;
7:3:33:17 Iron-resonant valence band photoemission and oxygen near edge x-ray absorption fine structure study on La1-xSrxFe0.75Ni0.25O3-delta
DOI:10.1063/1.3484960 JN:APPLIED PHYSICS LETTERS PY:2010 TC:3 AU: Erat, Selma;Wadati, Hiroki;Aksoy, Funda;Liu, Zhi;Graule, Thomas;Gauckler, Ludwig J.;Braun, Artur;
7:3:33:18 Short-range charge-ordering correlated elastic anomalies in La2/3Sr1/3FeO3
DOI:10.1016/j.ceramint.2012.12.036 JN:CERAMICS INTERNATIONAL PY:2013 TC:1 AU: Kong Hui;Zhu Changfei;
7:3:33:19 Metal-insulator transition in Nd1-x Eu-x NiO3 probed by specific heat and anelastic measurements
DOI:10.1063/1.3549615 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Barbeta, V. B.;Jardim, R. F.;Torikachvili, M. S.;Escote, M. T.;Cordero, F.;Pontes, F. M.;Trequattrini, F.;
7:3:34:1 Strain engineering to control the magnetic and magnetotransport properties of La0.67Sr0.33MnO3 thin films
DOI:10.1063/1.3484147 JN:APPLIED PHYSICS LETTERS PY:2010 TC:21 AU: Yang, F.;Kemik, N.;Biegalski, M. D.;Christen, H. M.;Arenholz, E.;Takamura, Y.;
7:3:34:2 Antisite defects in La0.7Sr0.3MnO3 and La0.7Sr0.3FeO3
DOI:10.1063/1.4802210 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Gu, Meng;Wang, Zhiguo;Biegalski, Michael D.;Christen, Hans M.;Takamura, Yayoi;Browning, Nigel D.;
7:3:34:3 Magnetic domain structure of La0.7Sr0.3MnO3 nanoislands: Experiment and simulation
DOI:10.1063/1.3544510 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:11 AU: Kim, Eun Ji;Watts, John L. R.;Harteneck, Bruce;Scholl, Andreas;Young, Anthony;Doran, Andrew;Suzuki, Yuri;
7:3:34:4 Tuning magnetic and transport properties through strain engineering in La0.7Sr0.3MnO3/La0.5Sr0.5TiO3 superlattices
DOI:10.1063/1.4705397 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:7 AU: Gu, Meng;Song, Chengyu;Yang, Fan;Arenholz, Elke;Browning, Nigel D.;Takamura, Yayoi;
7:3:34:5 The effect of interfacial charge transfer on ferromagnetism in perovskite oxide superlattices
DOI:10.1063/1.3674325 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:9 AU: Yang, F.;Gu, M.;Arenholz, E.;Browning, N. D.;Takamura, Y.;
7:3:34:6 Effects of nanostructuring and substrate symmetry on antiferromagnetic domain structure in LaFeO3 thin films
DOI:10.1103/PhysRevB.84.220410 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Folven, E.;Scholl, A.;Young, A.;Retterer, S. T.;Boschker, J. E.;Tybell, T.;Takamura, Y.;Grepstad, J. K.;
7:3:34:7 Strain relaxation defects in perovskite oxide superlattices
DOI:10.1557/jmr.2012.42 JN:JOURNAL OF MATERIALS RESEARCH PY:2012 TC:5 AU: Gu, Meng;Biegalski, Michael D.;Christen, Hans M.;Song, Chengyu;Dearden, Craig R.;Browning, Nigel D.;Takamura, Yayoi;
7:3:34:8 Crossover from Spin-Flop Coupling to Collinear Spin Alignment in Antiferromagnetic/Ferromagnetic Nanostructures
DOI:10.1021/nl300361e JN:NANO LETTERS PY:2012 TC:9 AU: Folven, Erik;Scholl, Andreas;Young, Anthony;Retterer, Scott T.;Boschker, Jos E.;Tybell, Thomas;Takamura, Yayoi;Grepstad, Jostein K.;
7:3:34:9 Spin-Flop Coupling and Exchange Bias in Embedded Complex Oxide Micromagnets
DOI:10.1103/PhysRevLett.111.107201 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:1 AU: Takamura, Yayoi;Folven, Erik;Shu, Jonathan B. R.;Lukes, Karl R.;Li, Binzhi;Scholl, Andreas;Young, Anthony T.;Retterer, Scott T.;Tybell, Thomas;Grepstad, Jostein K.;
7:3:34:10 Shape-induced anisotropy in antiferromagnetic nanoparticles
DOI:10.1016/j.jmmm.2013.11.003 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:1 AU: Gomonay, O.;Kondovych, S.;Loktev, V.;
7:3:34:11 Effect of nitrogen pressure on the properties of AlN films grown on nitrided Al(111) substrates by pulsed laser deposition
DOI:10.1016/j.matlet.2014.05.031 JN:MATERIALS LETTERS PY:2014 TC:8 AU: Wang, Wenliang;Liu, Zuolian;Yang, Weijia;Lin, Yunhao;Zhou, Shizhong;Qian, Huirong;Wang, Haiyan;Lin, Zhiting;Li, Guoqiang;
7:3:34:12 Antiferromagnetic Domain Reconfiguration in Embedded LaFeO3 Thin Film Nanostructures
DOI:10.1021/nl1025908 JN:NANO LETTERS PY:2010 TC:12 AU: Folven, Erik;Tybell, Thomas;Scholl, Andreas;Young, Anthony;Retterer, Scott T.;Takamura, Yayoi;Grepstad, Jostein K.;
7:3:34:13 Correlated domain structure in perovskite oxide superlattices exhibiting spin-flop coupling
DOI:10.1103/PhysRevB.83.014417 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Yang, Fan;Kemik, Nihan;Scholl, Andreas;Doran, Andrew;Young, Anthony T.;Biegalski, Michael D.;Christen, Hans M.;Takamura, Yayoi;
7:3:34:14 Annealing induced coherent evolutions of biaxial strain and antiferromagnetic-insulator phase in La0.625Ca0.375MnO3 films
DOI:10.1063/1.4754818 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Han, Yunxin;Wu, Wenbin;Jiang, Guoshun;Zhu, Changfei;
7:3:34:15 Resonant x-ray reflectivity study of perovskite oxide superlattices
DOI:10.1063/1.3660719 JN:APPLIED PHYSICS LETTERS PY:2011 TC:7 AU: Kemik, N.;Gu, M.;Yang, F.;Chang, C. -Y.;Song, Y.;Bibee, M.;Mehta, A.;Biegalski, M. D.;Christen, H. M.;Browning, N. D.;Takamura, Y.;
7:3:34:16 Control of magnetic and transport properties in Nd0.45Sr0.55MnO3 films through epitaxial strain
DOI:10.1063/1.3671787 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Meng, H.;Zhang, Y. Q.;Wang, X. W.;Tang, Y. L.;Wang, Z. H.;Zhu, Y. L.;Zheng, Jian-Guo;Zhang, Z. D.;
7:3:34:17 Cation uniformity and magnetic properties of La0.7Sr0.3Mn0.5Fe0.5O3 thin films
DOI:10.1016/j.jmmm.2012.08.005 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:4 AU: Gu, Meng;Yang, Fan;Arenholz, Elke;Browning, Nigel D.;Takamura, Yayoi;
7:3:34:18 Growth and characterization of La-1 (-) (x)A(x)MnO(3) (A = Ag and K, x=0.33) epitaxial and polycrystalline manganite thin films derived by sol-gel dip-coating technique
DOI:10.1016/j.tsf.2012.06.006 JN:THIN SOLID FILMS PY:2012 TC:2 AU: Goktas, A.;Mutlu, I. H.;Kawashi, A.;
7:3:35:1 Termination-dependent electronic and magnetic properties of ultrathin SrRuO3 (111) films on SrTiO3
DOI:10.1103/PhysRevB.89.195411 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Kim, Bongjae;Min, B. I.;
7:3:35:2 Magnetic and magnetocaloric properties of Ba and Ti co-doped SrRuO3
DOI:10.1063/1.4904853 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Sarkar, Babusona;Dalal, Biswajit;Ashok, Vishal Dev;De, S. K.;
7:3:35:3 Highly Confined Spin-Polarized Two-Dimensional Electron Gas in SrTiO3/SrRuO3 Superlattices
DOI:10.1103/PhysRevLett.108.107003 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:17 AU: Verissimo-Alves, Marcos;Garcia-Fernandez, Pablo;Bilc, Daniel I.;Ghosez, Philippe;Junquera, Javier;
7:3:35:4 Scaling of the anomalous Hall effect in SrRuO3
DOI:10.1103/PhysRevB.84.174439 JN:PHYSICAL REVIEW B PY:2011 TC:13 AU: Haham, Noam;Shperber, Yishai;Schultz, Moty;Naftalis, Netanel;Shimshoni, Efrat;Reiner, James W.;Klein, Lior;
7:3:35:5 Quasiparticle Mass Enhancement and Temperature Dependence of the Electronic Structure of Ferromagnetic SrRuO3 Thin Films
DOI:10.1103/PhysRevLett.110.087004 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:6 AU: Shai, D. E.;Adamo, C.;Shen, D. W.;Brooks, C. M.;Harter, J. W.;Monkman, E. J.;Burganov, B.;Schlom, D. G.;Shen, K. M.;
7:3:35:6 Infrared anomalous Hall effect in SrRuO3: Exploring evidence for crossover to intrinsic behavior
DOI:10.1103/PhysRevB.81.235218 JN:PHYSICAL REVIEW B PY:2010 TC:6 AU: Kim, M. -H.;Acbas, G.;Yang, M. -H.;Eginligil, M.;Khalifah, P.;Ohkubo, I.;Christen, H.;Mandrus, D.;Fang, Z.;Cerne, J.;
7:3:35:7 Indications of weak electronic correlations in SrRuO3 from first-principles calculations
DOI:10.1103/PhysRevB.86.064441 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Etz, C.;Maznichenko, I. V.;Boettcher, D.;Henk, J.;Yaresko, A. N.;Hergert, W.;Mazin, I. I.;Mertig, I.;Ernst, A.;
7:3:35:8 Thermally assisted current-induced magnetization reversal in SrRuO3
DOI:10.1103/PhysRevB.87.115118 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Shperber, Yishai;Sinwani, Omer;Naftalis, Netanel;Bedau, Daniel;Reiner, James W.;Klein, Lior;
7:3:35:9 Critical behavior of ferromagnetic perovskite ruthenates
DOI:10.1103/PhysRevB.85.184430 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Cheng, J. -G.;Zhou, J. -S.;Goodenough, J. B.;Jin, C. -Q.;
7:3:35:10 Temperature induced magnetization reversal in SrRuO3
DOI:10.1063/1.4850737 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Sarkar, Babusona;Dalal, Biswajit;De, S. K.;
7:3:35:11 Temperature Evolution of Itinerant Ferromagnetism in SrRuO3 Probed by Optical Spectroscopy
DOI:10.1103/PhysRevLett.110.247202 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:2 AU: Jeong, D. W.;Choi, Hong Chul;Kim, Choong H.;Chang, Seo Hyoung;Sohn, C. H.;Park, H. J.;Kang, T. D.;Cho, Deok-Yong;Baek, S. H.;Eom, C. B.;Shim, J. H.;Yu, J.;Kim, K. W.;Moon, S. J.;Noh, T. W.;
7:3:35:12 LDA plus DMFT study of Ru-based perovskite SrRuO3 and CaRuO3
DOI:10.1103/PhysRevB.83.041103 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Jakobi, E.;Kanungo, S.;Sarkar, S.;Schmitt, S.;Saha-Dasgupta, T.;
7:3:35:13 Monitoring superparamagnetic Langevin behavior of individual SrRuO3 nanostructures
DOI:10.1103/PhysRevB.89.020404 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Sinwani, Omer;Reiner, James W.;Klein, Lior;
7:3:35:14 Current-induced magnetization reversal in SrRuO3
DOI:10.1103/PhysRevB.86.085102 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Shperber, Yishai;Bedau, Daniel;Reiner, James W.;Klein, Lior;
7:3:35:15 Scaling of the paramagnetic anomalous Hall effect in SrRuO3
DOI:10.1103/PhysRevB.86.144414 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Haham, Noam;Reiner, James W.;Klein, Lior;
7:3:35:16 Nonthermal magnetization reversal assisted by unpolarized current
DOI:10.1103/PhysRevB.82.144417 JN:PHYSICAL REVIEW B PY:2010 TC:2 AU: Riss, O.;Gerber, A.;Korenblit, I. Ya.;Karpovsky, M.;Hacohen-Gourgy, S.;Tsukernik, A.;Tuaillon-Combes, J.;Melinon, P.;Perez, A.;
7:3:35:17 Indication for macroscopic quantum tunneling below 10 K in nanostructures of SrRuO3
DOI:10.1103/PhysRevB.86.100403 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Sinwani, Omer;Reiner, James W.;Klein, Lior;
7:3:35:18 Infrared anomalous Hall effect in CaxSr1-xRuO3 films
DOI:10.1103/PhysRevB.88.155101 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Kim, M. -H.;Tanaka, T.;Ellis, C. T.;Mukherjee, A.;Acbas, G.;Ohkubo, I.;Christen, H.;Mandrus, D.;Kontani, H.;Cerne, J.;
7:3:36:1 Magnetism of the tensile-strain-induced tetragonal state of SrRuO3 films
DOI:10.1103/PhysRevB.88.144412 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Herklotz, A.;Kataja, M.;Nenkov, K.;Biegalski, M. D.;Christen, H. -M.;Deneke, C.;Schultz, L.;Doerr, K.;
7:3:36:2 Enhanced magnetism in epitaxial SrRuO3 thin films
DOI:10.1063/1.3327512 JN:APPLIED PHYSICS LETTERS PY:2010 TC:20 AU: Grutter, Alexander;Wong, Franklin;Arenholz, Elke;Liberati, Marco;Vailionis, Arturas;Suzuki, Yuri;
7:3:36:3 Evidence of high-spin Ru and universal magnetic anisotropy in SrRuO3 thin films
DOI:10.1103/PhysRevB.85.134429 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Grutter, A. J.;Wong, F. J.;Arenholz, E.;Vailionis, A.;Suzuki, Y.;
7:3:36:4 Anisotropic lattice changes and ferromagnetic order in Sr1-xCaxRuO3
DOI:10.1103/PhysRevB.83.144430 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Wissinger, M.;Fuchs, D.;Dieterle, L.;Leiste, H.;Schneider, R.;Gerthsen, D.;Loehneysen, H. V.;
7:3:36:5 Low-Energy Electronic Properties of Clean CaRuO3: Elusive Landau Quasiparticles
DOI:10.1103/PhysRevLett.112.206403 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:2 AU: Schneider, M.;Geiger, D.;Esser, S.;Pracht, U. S.;Stingl, C.;Tokiwa, Y.;Moshnyaga, V.;Sheikin, I.;Mravlje, J.;Scheffler, M.;Gegenwart, P.;
7:3:36:6 Microstructure and properties of epitaxial La0.7Sr0.3MnO3/BaTiO3 bilayer film grown by pulsed laser deposition
DOI:10.1016/j.tsf.2013.08.050 JN:THIN SOLID FILMS PY:2013 TC:1 AU: Wang, X. W.;Zhang, Y. Q.;Wang, X.;Wang, Z. J.;Zhu, Y. L.;Zhang, Z. D.;
7:3:36:7 Dependence of magnetism on GdFeO3 distortion in the t(2g) system ARuO(3) (A = Sr, Ca)
DOI:10.1103/PhysRevB.83.014416 JN:PHYSICAL REVIEW B PY:2011 TC:10 AU: Middey, Srimanta;Mahadevan, Priya;Sarma, D. D.;
7:3:36:8 Modification of magnetic properties through the control of growth orientation and epitaxial strain in SrRuO3 thin films
DOI:10.1063/1.3334727 JN:APPLIED PHYSICS LETTERS PY:2010 TC:14 AU: Lee, B. W.;Jung, C. U.;
7:3:36:9 Magnetic anisotropy and metal-insulator transition in SrRuO3 thin films at different growth temperatures
DOI:10.1063/1.3431459 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:10 AU: Wang, X. W.;Wang, X.;Zhang, Y. Q.;Zhu, Y. L.;Wang, Z. J.;Zhang, Z. D.;
7:3:36:10 Enhanced magnetization in epitaxial SrRuO3 thin films via substrate-induced strain
DOI:10.1063/1.3360345 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:11 AU: Grutter, Alexander;Wong, Franklin;Arenholz, Elke;Liberati, Marco;Suzuki, Yuri;
7:3:36:11 Microstructure and ferroelectric properties of epitaxial BaTiO3/SrRuO3/SrTiO3 (001) films grown by pulsed laser deposition under high oxygen pressure
DOI:10.1016/j.tsf.2011.12.025 JN:THIN SOLID FILMS PY:2012 TC:3 AU: Wang, X. W.;Wang, X.;Gong, W. J.;Zhang, Y. Q.;Zhu, Y. L.;Wang, Z. J.;Zhang, Z. D.;
7:3:36:12 Evolution of itinerant ferromagnetism in SrxPb1-xRuO3 (0 <= x <= 1): Interplay between Jahn-Teller distortion and A-site disorder
DOI:10.1063/1.3567536 JN:APPLIED PHYSICS LETTERS PY:2011 TC:0 AU: Lu, Hai-Shuang;Jua, Sheng;
7:3:36:13 TEM study of SrIrO3 thin films with various thicknesses grown on (001) SrTiO3 substrates synthesized by pulsed laser deposition
DOI:10.1016/j.apsusc.2013.04.150 JN:APPLIED SURFACE SCIENCE PY:2013 TC:6 AU: Zhang, Lunyong;Wu, Hong-Yan;Zhou, Jian;Wu, Fei-Xiang;Chen, Y. B.;Yao, Shu-Hua;Zhang, Shan-Tao;Chen, Yan-Feng;
7:3:36:14 Role of Ru vacancies in the magnetism of strain relaxed SrRuO3 films on SrTiO3 substrates
DOI:10.1063/1.3561768 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Bohra, Murtaza;Wu, C. P.;Yeh, H. J.;Cheng, Y. H.;Peng, C. C.;Chou, H.;
7:3:36:15 Magnetic anisotropy and transport properties of 70 nm SrRuO3 films grown on different substrates
DOI:10.1063/1.3540669 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Wang, X. W.;Zhang, Y. Q.;Meng, H.;Wang, Z. J.;Li, D.;Zhang, Z. D.;
7:3:36:16 Microstructure tuning of epitaxial BaTiO3 (-) (x) thin films grown using laser molecular-beam epitaxy by varying the oxygen pressure
DOI:10.1016/j.tsf.2009.09.103 JN:THIN SOLID FILMS PY:2010 TC:5 AU: Zhu, Y. L.;Zheng, S. J.;Chen, D.;Ma, X. L.;
7:3:36:17 Giant ferromagnetism and exchange bias in tensile strained and Cr modified CaRuO3 thin films
DOI:10.1063/1.4869977 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Kumar, Sanjay;Tripathi, Shivendra;Phanendra, Eswara V.;Singh, R. S.;Rana, D. S.;
7:3:36:18 Thermoelectric properties of Ca1-xSrxRuO3 compounds prepared by spark plasma sintering
DOI:10.1016/j.jallcom.2012.01.150 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:1 AU: Keawprak, Nittaya;Tu, Rong;Goto, Takashi;
7:3:36:19 Structural expansion and suppression of spiral spin state in Pb-doped BiFeO3 (00l) epitaxial thin films
DOI:10.1063/1.3678451 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Bohra, Murtaza;Wu, C. P.;Yeh, H. J.;Chou, H.;Chen, W. C.;Lin, J. W.;Lin, J. G.;
7:3:36:20 Magnetism in CaMnO3 thin films
DOI:10.1063/1.4864044 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Flint, C. L.;Grutter, A. J.;Jenkins, C. A.;Arenholz, E.;Suzuki, Y.;
7:3:36:21 Microstructure and ferromagnetic property in CaRuO3 thin films with pseudoheterostructure
DOI:10.1063/1.3422476 JN:APPLIED PHYSICS LETTERS PY:2010 TC:4 AU: Chen, Y. B.;Zhou, Jian;Wu, Fei-xiang;Ji, Wei-jing;Zhang, Shan-Tao;Chen, Yan-Feng;Zhu, Yong-Yuan;
7:3:36:22 Structural, electrical, and magnetic properties of SrRuO3 thin films
DOI:10.1063/1.4866775 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Kaur, Pawanpreet;Sharma, K. K.;Pandit, Rabia;Choudhary, R. J.;Kumar, Ravi;
7:3:37:1 Origin of the superior conductivity of perovskite Ba(Sr)SnO3
DOI:10.1063/1.4798325 JN:APPLIED PHYSICS LETTERS PY:2013 TC:14 AU: Liu, Heng-Rui;Yang, Ji-Hui;Xiang, H. J.;Gong, X. G.;Wei, Su-Huai;
7:3:37:2 High carrier mobility in transparent Ba1-xLaxSnO3 crystals with a wide band gap
DOI:10.1063/1.4709415 JN:APPLIED PHYSICS LETTERS PY:2012 TC:23 AU: Luo, X.;Oh, Y. S.;Sirenko, A.;Gao, P.;Tyson, T. A.;Char, K.;Cheong, S-W.;
7:3:37:3 Physical properties of transparent perovskite oxides (Ba, La)SnO3 with high electrical mobility at room temperature
DOI:10.1103/PhysRevB.86.165205 JN:PHYSICAL REVIEW B PY:2012 TC:14 AU: Kim, Hyung Joon;Kim, Useong;Kim, Tai Hoon;Kim, Jiyeon;Kim, Hoon Min;Jeon, Byung-Gu;Lee, Woong-Jhae;Mun, Hyo Sik;Hong, Kwang Taek;Yu, Jaejun;Char, Kookrin;Kim, Kee Hoon;
7:3:37:4 La-doped BaSnO3-Degenerate perovskite transparent conducting oxide: Evidence from synchrotron x-ray spectroscopy
DOI:10.1063/1.4816511 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Sallis, S.;Scanlon, D. O.;Chae, S. C.;Quackenbush, N. F.;Fischer, D. A.;Woicik, J. C.;Guo, J. -H.;Cheong, S. W.;Piper, L. F. J.;
7:3:37:5 High mobility field effect transistor based on BaSnO3 with Al2O3 gate oxide
DOI:10.1063/1.4901963 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Park, Chulkwon;Kim, Useong;Ju, Chan Jong;Park, Ji Sung;Kim, Young Mo;Char, Kookrin;
7:3:37:6 Strain effects on the band gap and optical properties of perovskite SrSnO3 and BaSnO3
DOI:10.1063/1.4861838 JN:APPLIED PHYSICS LETTERS PY:2014 TC:4 AU: Singh, David J.;Xu, Qiang;Ong, Khuong P.;
7:3:37:7 Dopant-site-dependent scattering by dislocations in epitaxial films of perovskite semiconductor BaSnO3
DOI:10.1063/1.4874895 JN:APL MATERIALS PY:2014 TC:4 AU: Kim, Useong;Park, Chulkwon;Ha, Taewoo;Kim, Rokyeon;Mun, Hyo Sik;Kim, Hoon Min;Kim, Hyung Joon;Kim, Tai Hoon;Kim, Namwook;Yu, Jaejun;Kim, Kee Hoon;Kim, Jae Hoon;Char, Kookrin;
7:3:37:8 Improved electrical mobility in highly epitaxial La:BaSnO3 films on SmScO3(110) substrates
DOI:10.1063/1.4891816 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Wadekar, P. V.;Alaria, J.;O'Sullivan, M.;Flack, N. L. O.;Manning, T. D.;Phillips, L. J.;Durose, K.;Lozano, O.;Lucas, S.;Claridge, J. B.;Rosseinsky, M. J.;
7:3:37:9 Indications of strong neutral impurity scattering in Ba(Sn,Sb)O-3 single crystals
DOI:10.1103/PhysRevB.88.125204 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Kim, Hyung Joon;Kim, Jiyeon;Kim, Tai Hoon;Lee, Woong-Jhae;Jeon, Byung-Gu;Park, Ju-Young;Choi, Woo Seok;Jeong, Da Woon;Lee, Suk Ho;Yu, Jaejun;Noh, Tae Won;Kim, Kee Hoon;
7:3:37:10 Composition dependent metal-semiconductor transition in transparent and conductive La-doped BaSnO3 epitaxial films
DOI:10.1063/1.4770299 JN:APPLIED PHYSICS LETTERS PY:2012 TC:14 AU: Liu, Qinzhuang;Liu, Jianjun;Li, Bing;Li, Hong;Zhu, Guangping;Dai, Kai;Liu, Zhongliang;Zhang, Peng;Dai, Jianming;
7:3:37:11 Large effects of dislocations on high mobility of epitaxial perovskite Ba0.96La0.04SnO3 films
DOI:10.1063/1.4812642 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Mun, Hyosik;Kim, Useong;Kim, Hoon Min;Park, Chulkwon;Kim, Tai Hoon;Kim, Hyung Joon;Kim, Kee Hoon;Char, Kookrin;
7:3:37:12 Infrared-optical spectroscopy of transparent conducting perovskite (La,Ba)SnO3 thin films
DOI:10.1063/1.4861776 JN:APPLIED PHYSICS LETTERS PY:2014 TC:3 AU: Seo, Dongmin;Yu, Kwangnam;Chang, Young Jun;Sohn, Egon;Kim, Kee Hoon;Choi, E. J.;
7:3:37:13 High-temperature thermoelectric properties of La-doped BaSnO3 ceramics
DOI:10.1016/j.mseb.2009.10.002 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2010 TC:14 AU: Yasukawa, Masahiro;Kono, Toshio;Ueda, Kazushige;Yanagi, Hiroshi;Hosono, Hideo;
7:3:37:14 Electronic band structure and optical phonons of BaSnO3 and Ba0.97La0.03SnO3 single crystals: Theory and experiment
DOI:10.1063/1.4748309 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:13 AU: Stanislavchuk, T. N.;Sirenko, A. A.;Litvinchuk, A. P.;Luo, X.;Cheong, S. -W.;
7:3:37:15 Influence of charged-dislocation density variations on carrier mobility in heteroepitaxial semiconductors: The case of SnO2 on sapphire
DOI:10.1103/PhysRevB.86.245315 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;
7:3:38:1 Interfacial spin glass state and exchange bias in manganite bilayers with competing magnetic orders
DOI:10.1103/PhysRevB.87.054428 JN:PHYSICAL REVIEW B PY:2013 TC:15 AU: Ding, J. F.;Lebedev, O. I.;Turner, S.;Tian, Y. F.;Hu, W. J.;Seo, J. W.;Panagopoulos, C.;Prellier, W.;Van Tendeloo, G.;Wu, T.;
7:3:38:2 Phase evolution and critical behavior in strain-tuned LaMnO3-SrMnO3 superlattices
DOI:10.1103/PhysRevB.81.014410 JN:PHYSICAL REVIEW B PY:2010 TC:17 AU: Yamada, Hiroyuki;Xiang, Ping-Hua;Sawa, Akihito;
7:3:38:3 Magnetic and orbital order in (RMnO3)(n)/(AMnO(3))(2n) superlattices studied via a double-exchange model with strain
DOI:10.1103/PhysRevB.86.205121 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Dong, Shuai;Zhang, Qinfang;Yunoki, Seiji;Liu, J-M;Dagotto, Elbio;
7:3:38:4 Exchange bias in a single LaMnO3 film induced by vertical electronic phase separation
DOI:10.1103/PhysRevB.89.165129 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Peng, J. J.;Song, C.;Cui, B.;Li, F.;Mao, H. J.;Wang, Y. Y.;Wang, G. Y.;Pan, F.;
7:3:38:5 Optical Properties of (SrMnO3)(n)/(LaMnO3)(2n) Superlattices: An Insulator-to-Metal Transition Observed in the Absence of Disorder
DOI:10.1021/nl1022628 JN:NANO LETTERS PY:2010 TC:13 AU: Perucchi, Andrea;Baldassarre, Leonetta;Nucara, Alessandro;Calvani, Paolo;Adamo, Carolina;Schlom, Darrell G.;Orgiani, Pasquale;Maritato, Luigi;Lupi, Stefano;
7:3:38:6 Electronic band redistribution probed by oxygen absorption spectra of (SrMnO3)(n)( LaMnO3)(2n) superlattices
DOI:10.1103/PhysRevB.85.125129 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Galdi, A.;Aruta, C.;Orgiani, P.;Adamo, C.;Bisogni, V.;Brookes, N. B.;Ghiringhelli, G.;Schlom, D. G.;Thakur, P.;Maritato, L.;
7:3:38:7 Strain-engineered magnetic order in (LaMnO3)(n)/(SrMnO3)(2n) superlattices
DOI:10.1103/PhysRevB.86.094403 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Zhang, Qinfang;Dong, Shuai;Wang, Baolin;Yunoki, Seiji;
7:3:38:8 Magnetic properties and electronic structures of (YTiO3)(2)/(BaTiO3)(n) superlattices
DOI:10.1063/1.4863489 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Zhou, P. X.;Liu, H. M.;Yan, Z. B.;Dong, S.;Liu, J. -M.;
7:3:38:9 Tunable Magnetic Interaction at the Atomic Scale in Oxide Heterostructures
DOI:10.1103/PhysRevLett.105.167206 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:9 AU: Seo, J. W.;Prellier, W.;Padhan, P.;Boullay, P.;Kim, J-Y;Lee, Hangil;Batista, C. D.;Martin, I.;Chia, Elbert E. M.;Wu, T.;Cho, B-G.;Panagopoulos, C.;
7:3:38:10 Electron-lattice and strain effects in manganite heterostructures: The case of a single interface
DOI:10.1103/PhysRevB.83.085107 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Iorio, A.;Perroni, C. A.;Ramaglia, V. Marigliano;Cataudella, V.;
7:3:38:11 Magnetic and transport characteristics of long-period [(LaMnO3)(n)/(SrMnO3)(n)](m) (n >= 3) superlattices
DOI:10.1063/1.4767227 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Wang, Geming;Du, Ruifang;Wu, Di;Li, Aidong;
7:3:38:12 Relaxor characteristics at the interfaces of NdMnO3/SrMnO3/LaMnO3 superlattices
DOI:10.1103/PhysRevB.82.140405 JN:PHYSICAL REVIEW B PY:2010 TC:5 AU: Seo, Jiwon;Phan, Bach T.;Stahn, Jochen;Lee, Jaichan;Panagopoulos, Christos;
7:3:38:13 Strain-engineered A-type antiferromagnetic order in YTiO3: A first-principles calculation
DOI:10.1063/1.4793644 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Huang, Xin;Tang, Yankun;Dong, Shuai;
7:3:38:14 Thickness and ordering temperature of surface NiO/Ni systems
DOI:10.1063/1.4866980 JN:AIP ADVANCES PY:2014 TC:2 AU: Shih, Ying-Ta;Su, Chien-Yu;Tsai, Chung-Wei;Pan, Wei;
7:3:38:15 Shear-induced low-dimension electron transport in (LaMnO3)(2)/(SrMnO3)(2) superlattice
DOI:10.1007/s00339-011-6607-6 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2012 TC:2 AU: Cao, Dan;Zheng, Yue;Woo, C. H.;
7:3:38:16 Magnetic orders of LaTiO3 under epitaxial strain: A first-principles study
DOI:10.1063/1.4860016 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:3 AU: Weng, Yakui;Huang, Xin;Tang, Yankun;Dong, Shuai;
7:3:38:17 Metallic characteristics in superlattices composed of insulators, NdMnO3/SrMnO3/LaMnO3
DOI:10.1063/1.3583586 JN:APPLIED PHYSICS LETTERS PY:2011 TC:0 AU: Seo, J. W.;Phan, B. T.;Lee, J.;Kim, H. -D.;Panagopoulos, C.;
7:3:38:18 Exchange interaction, electronic structure and magnetic properties of (LaMnO3)(m)/(SrTiO3)(n) superlattices: Ab initio study
DOI:10.1016/j.jallcom.2013.10.242 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Aezami, A.;Abolhassani, M.;Elahi, M.;
7:3:39:1 High-T-C ferromagnetic order in CaRuO3/La2/3Ca1/3MnO3 superlattices
DOI:10.1063/1.4857715 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Chen, P. F.;Chen, B. B.;Tan, X. L.;Xu, H. R.;Xuan, X. F.;Guo, Z.;Jin, F.;Wu, W. B.;
7:3:39:2 Charge transport and magnetization profile at the interface between the correlated metal CaRuO3 and the antiferromagnetic insulator CaMnO3
DOI:10.1103/PhysRevB.81.094414 JN:PHYSICAL REVIEW B PY:2010 TC:19 AU: Freeland, J. W.;Chakhalian, J.;Boris, A. V.;Tonnerre, J. -M.;Kavich, J. J.;Yordanov, P.;Grenier, S.;Zschack, P.;Karapetrova, E.;Popovich, P.;Lee, H. N.;Keimer, B.;
7:3:39:3 Interfacial magnetic coupling in ultrathin all-manganite La0.7Sr0.3MnO3-TbMnO3 superlattices
DOI:10.1063/1.4871701 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Tian, Y. F.;Lebedev, O. I.;Roddatis, V. V.;Lin, W. N.;Ding, J. F.;Hu, S. J.;Yan, S. S.;Wu, T.;
7:3:39:4 Contrasting size-scaling behavior of ferromagnetism in La0.67Ca0.33MnO3 films and La0.67Ca0.33MnO3/CaRuO3 multilayers
DOI:10.1063/1.4885080 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Chen, B. B.;Chen, P. F.;Xu, H. R.;Tan, X. L.;Jin, F.;Guo, Z.;Zhi, B. W.;Wu, W. B.;
7:3:39:5 Interfacial Ferromagnetism and Exchange Bias in CaRuO3/CaMnO3 Superlattices
DOI:10.1103/PhysRevLett.109.197202 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:14 AU: He, C.;Grutter, A. J.;Gu, M.;Browning, N. D.;Takamura, Y.;Kirby, B. J.;Borchers, J. A.;Kim, J. W.;Fitzsimmons, M. R.;Zhai, X.;Mehta, V. V.;Wong, F. J.;Suzuki, Y.;
7:3:39:6 Stabilization of Ferromagnetic Order in La0.7Sr0.3MnO3-SrRuO3 Superlattices
DOI:10.1021/nl301963a JN:NANO LETTERS PY:2012 TC:15 AU: Ziese, M.;Bern, F.;Pippel, E.;Hesse, D.;Vrejoiu, I.;
7:3:39:7 Interface Effects in Perovskite Thin Films
DOI:10.1103/PhysRevLett.108.087202 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:18 AU: Lepetit, Marie-Bernadette;Mercey, Bernard;Simon, Charles;
7:3:39:8 Interfacial Ferromagnetism in LaNiO3/CaMnO3 Superlattices
DOI:10.1103/PhysRevLett.111.087202 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:3 AU: Grutter, A. J.;Yang, H.;Kirby, B. J.;Fitzsimmons, M. R.;Aguiar, J. A.;Browning, N. D.;Jenkins, C. A.;Arenholz, E.;Mehta, V. V.;Alaan, U. S.;Suzuki, Y.;
7:3:39:9 Delta Doping of Ferromagnetism in Antiferromagnetic Manganite Superlattices
DOI:10.1103/PhysRevLett.107.167202 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:10 AU: Santos, T. S.;Kirby, B. J.;Kumar, S.;May, S. J.;Borchers, J. A.;Maranville, B. B.;Zarestky, J.;Velthuis, S. G. E. Te;van den Brink, J.;Bhattacharya, A.;
7:3:39:10 Electronic and magnetic reconstructions in manganite superlattices
DOI:10.1103/PhysRevB.87.155152 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Pradhan, Kalpataru;Kampf, Arno P.;
7:3:39:11 Interfacial magnetism in CaRuO3/CaMnO3 superlattices grown on (001) SrTiO3
DOI:10.1063/1.3561448 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: He, C.;Zhai, X.;Mehta, V. V.;Wong, F. J.;Suzuki, Y.;
7:3:39:12 Interface-controlled magnetism and transport of ultrathin manganite films
DOI:10.1063/1.4795422 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Shapoval, O.;Huehn, S.;Verbeeck, J.;Jungbauer, M.;Belenchuk, A.;Moshnyaga, V.;
7:3:39:13 Interfacial magnetism in manganite superlattices
DOI:10.1103/PhysRevB.88.115136 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Pradhan, Kalpataru;Kampf, Arno P.;
7:3:40:1 Recovery of oscillatory magneto-resistance in phase separated La0.3Pr0.4Ca0.3MnO3 epitaxial thin films
DOI:10.1063/1.4839536 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Alagoz, H. S.;Jeon, J.;Mahmud, S. T.;Saber, M. M.;Prasad, B.;Egilmez, M.;Chow, K. H.;Jung, J.;
7:3:40:2 Pseudomorphic strain induced strong anisotropic magnetoresistance over a wide temperature range in epitaxial La0.67Ca0.33MnO3/NdGaO3(001) films
DOI:10.1063/1.3524193 JN:APPLIED PHYSICS LETTERS PY:2010 TC:13 AU: Wang, L. F.;Huang, Z.;Tan, X. L.;Chen, P. F.;Zhi, B. W.;Li, G. M.;Wu, W. B.;
7:3:40:3 Anisotropic magnetoresistance of epitaxial Pr0.5Sr0.5MnO3 film
DOI:10.1063/1.4862646 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Chen, X. G.;Yang, J. B.;Yang, Y. B.;Wang, C. S.;Liu, S. Q.;Zhang, Y.;Han, J. Z.;Yang, Y. C.;
7:3:40:4 Angular dependent magnetoresistance with twofold and fourfold symmetries in A-type antiferromagnetic Nd0.45Sr0.55MnO3 thin film
DOI:10.1063/1.3507262 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Zhang, Y. Q.;Meng, H.;Wang, X. W.;Wang, X.;Guo, H. H.;Zhu, Y. L.;Yang, T.;Zhang, Z. D.;
7:3:40:5 Influence of A-site doping and strain on the relationship between the anisotropic magneto-resistance and charge localization in films of La0.7-xPrxCa0.3MnO3 manganites
DOI:10.1063/1.4811415 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Alagoz, H. S.;Khan, M.;Saber, M. M.;Mahmud, S. T.;Chow, K. H.;Jung, J.;
7:3:40:6 Phase separation and enhanced magnetoresistance in the strained epitaxial La0.625Ca0.375MnO3 (001) films
DOI:10.1063/1.3695376 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Han, Yunxin;Wu, Wenbin;Jiang, Guoshun;Zhu, Changfei;
7:3:40:7 Unusual anisotropic magnetoresistance in charge-orbital ordered Nd0.5Sr0.5MnO3 polycrystals
DOI:10.1063/1.4904437 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Yang, Huali;Wang, Baomin;Liu, Yiwei;Yang, Zhihuan;Zhu, Xiaojian;Xie, Yali;Zuo, Zhenghu;Chen, Bin;Zhan, Qingfeng;Wang, Junling;Li, Run-Wei;
7:3:40:8 Correlation between the ferromagnetic metal percolation and the sign evolution of angular dependent magnetoresistance in Pr0.7Ca0.3MnO3 film
DOI:10.1063/1.3670399 JN:APPLIED PHYSICS LETTERS PY:2011 TC:6 AU: Zhang, Y. Q.;Meng, H.;Wang, X. W.;Liu, J. J.;Du, J.;Zhang, Z. D.;
7:3:40:9 Giant anisotropic magnetoresistance in bilayered La1.2Sr1.8Mn2O7 single crystals
DOI:10.1063/1.3593486 JN:APPLIED PHYSICS LETTERS PY:2011 TC:7 AU: Ning, Wei;Qu, Zhe;Zou, You-Ming;Ling, Lang-Sheng;Zhang, Lei;Xi, Chuan-Ying;Du, Hai-Feng;Li, Run-Wei;Zhang, Yu-Heng;
7:3:40:10 Carrier localization and out of plane anisotropic magnetoresistance in Nd0.55-xSmxSr0.45MnO3 thin films
DOI:10.1063/1.4722815 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Srivastava, M. K.;Kaur, A.;Singh, H. K.;
7:3:40:11 Strain induced tunable anisotropic magnetoresistance in La0.67Ca0.33MnO3/BaTiO3 heterostructures
DOI:10.1063/1.4795841 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Xie, Yali;Yang, Huali;Liu, Yiwei;Yang, Zhihuan;Chen, Bin;Zuo, Zhenghu;Katlakunta, Sadhana;Zhan, Qingfeng;Li, Run-Wei;
7:3:40:12 Anisotropic magnetoresistance and planar Hall effect in La2/3Ca1/3MnO3 thin films with misfit strain
DOI:10.1063/1.4789969 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Li, J.;Wang, S. G.;Zhang, Y.;Cui, L. M.;Jin, Y. R.;Deng, H.;Zheng, D. N.;Zimmers, A.;Aubin, H.;Lang, P. L.;
7:3:40:13 Sign reversal of anisotropic magnetoresistance in La0.7Ca0.3MnO3/SrTiO3 ultrathin films
DOI:10.1063/1.4903236 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Sharma, Himanshu;Tulapurkar, A.;Tomy, C. V.;
7:3:40:14 Anisotropic magnetoresistance in low-doped La0.79Ca0.21MnO3 crystals
DOI:10.1063/1.3556746 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Yuzhelevski, Ya.;Markovich, V.;Jung, G.;Gorodetsky, G.;
7:3:40:15 Evolution of the conducting phase topology at the percolation threshold in colossal magnetoresistance manganites: A magnetic small-angle neutron scattering study
DOI:10.1103/PhysRevB.82.054427 JN:PHYSICAL REVIEW B PY:2010 TC:5 AU: Saurel, Damien;Simon, Charles;Pautrat, Alain;Martin, Christine;Dewhurst, Charles;Brulet, Annie;
7:3:40:16 Microstructural, magnetic and transport properties of La0.5Pr0.2Pb0.3-xSrxMnO3 manganites
DOI:10.1016/j.jallcom.2014.01.002 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:3 AU: Craus, M. -L.;Islamov, A. Kh.;Anitas, E. M.;Cornei, N.;Luca, D.;
7:3:40:17 Anisotropic magnetoresistance in low-doped La0.78Ca0.22MnO3 crystals
DOI:10.1063/1.3536515 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Markovich, V.;Jung, G.;Yuzhelevski, Ya.;Gorodetsky, G.;Mukovskii, Ya. M.;
7:3:40:18 Anisotropic transport behavior of orbital-ordered Nd0.48Sr0.52MnO3 films
DOI:10.1063/1.3657845 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Liang, S.;Sun, J. R.;Chen, Y. Z.;Shen, B. G.;
7:3:40:19 Low field anisotropic colossal magnetoresistance in Sm0.53Sr0.47MnO3 thin films
DOI:10.1063/1.3672838 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Srivastava, Manoj K.;Singh, M. P.;Kaur, Amarjeet;Razavi, F. S.;Singh, H. K.;
7:3:41:1 Evidence of direct correlation between out-of-plane lattice parameter and metal-insulator transition temperature in oxygen-depleted manganite thin films
DOI:10.1063/1.3676268 JN:APPLIED PHYSICS LETTERS PY:2012 TC:15 AU: Orgiani, P.;Petrov, A. Yu.;Ciancio, R.;Galdi, A.;Maritato, L.;Davidson, B. A.;
7:3:41:2 Effects of Au nanoparticles on the magnetic and transport properties of La0.67Sr0.33MnO3 ultrathin layers
DOI:10.1103/PhysRevB.81.094410 JN:PHYSICAL REVIEW B PY:2010 TC:14 AU: Brivio, S.;Magen, C.;Sidorenko, A. A.;Petti, D.;Cantoni, M.;Finazzi, M.;Ciccacci, F.;De Renzi, R.;Varela, M.;Picozzi, S.;Bertacco, R.;
7:3:41:3 Room temperature spontaneous exchange bias in (La,Sr)MnO3/PbZr0.8Ti0.2O3/(La,Sr)MnO3 sandwich structure
DOI:10.1063/1.4816481 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Mao, H. J.;Song, C.;Cui, B.;Wang, G. Y.;Xiao, L. R.;Pan, F.;
7:3:41:4 Interfacial effects in manganite thin films with different capping layers of interest for spintronic applications
DOI:10.1103/PhysRevB.84.024413 JN:PHYSICAL REVIEW B PY:2011 TC:11 AU: Valencia, S.;Konstantinovic, Z.;Schmitz, D.;Gaupp, A.;Balcells, Ll;Martinez, B.;
7:3:41:5 Improved tunneling magnetoresistance at low temperature in manganite junctions grown by molecular beam epitaxy
DOI:10.1063/1.3581885 JN:APPLIED PHYSICS LETTERS PY:2011 TC:10 AU: Werner, R.;Petrov, A. Yu.;Alvarez Mino, L.;Kleiner, R.;Koelle, D.;Davidson, B. A.;
7:3:41:6 Near-room-temperature control of magnetization in field effect devices based on La0.67Sr0.33MnO3 thin films
DOI:10.1063/1.3516283 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:11 AU: Brivio, S.;Cantoni, M.;Petti, D.;Bertacco, R.;
7:3:41:7 Exchange bias coupling of Co with ultrathin La2/3Sr1/3MnO3 films
DOI:10.1063/1.4754594 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Shi, Y. J.;Zhou, Y.;Ding, H. F.;Zhang, F. M.;Pi, L.;Zhang, Y. H.;Wu, D.;
7:3:41:8 Crucial role played by interface and oxygen content in magnetic properties of ultrathin manganite films
DOI:10.1063/1.4812302 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Wang, Cong;Jin, Kui-juan;Gu, Lin;Lu, Hui-bin;Li, Shan-ming;Zhou, Wen-jia;Zhao, Rui-qiang;Guo, Hai-zhong;He, Meng;Yang, Guo-zhen;
7:3:41:9 Measuring magnetic profiles at manganite surfaces with monolayer resolution
DOI:10.1016/j.jmmm.2009.05.022 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:9 AU: Verna, A.;Davidson, Bruce A.;Szeto, Y.;Petrov, A. Yu.;Mirone, A.;Giglia, A.;Mahne, N.;Nannarone, S.;
7:3:41:10 Magnetoelectric transport and quantum interference effect in ultrathin manganite films
DOI:10.1063/1.4873337 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Wang, Cong;Jin, Kui-juan;Gu, Lin;Lu, Hui-bin;Li, Shan-ming;Zhou, Wen-jia;Zhao, Rui-qiang;Guo, Hai-zhong;He, Meng;Yang, Guo-zhen;
7:3:41:11 Effect of Au proximity on the LSMO surface: An ab initio study
DOI:10.1016/j.jmmm.2012.03.038 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:0 AU: Petti, D.;Stroppa, A.;Picozzi, S.;Brivio, S.;Cantoni, M.;Bertacco, R.;
7:3:41:12 Effect of the capping on the local Mn oxidation state in buried (001) and (110) SrTiO3/La2/3Ca1/3MnO3 interfaces
DOI:10.1063/1.3660786 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Estrade, S.;Rebled, J. M.;Walls, M. G.;de la Pena, F.;Colliex, C.;Cordoba, R.;Infante, I. C.;Herranz, G.;Sanchez, F.;Fontcuberta, J.;Peiro, F.;
7:3:41:13 Interfacial effects in La2/3Sr1/3MnO3 thin films with different complex oxide capping layers
DOI:10.1063/1.3545814 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Valencia, S.;Konstantinovic, Z.;Gaupp, A.;Schmitz, D.;Balcells, Ll.;Martinez, B.;
7:3:41:14 Magnetic anisotropy in strained manganite films and bicrystal junctions
DOI:10.1063/1.4802659 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Demidov, V. V.;Ovsyannikov, G. A.;Petrzhik, A. M.;Borisenko, I. V.;Shadrin, A. V.;Gunnarsson, R.;
7:3:41:15 Tuning La0.67Sr0.33MnO3 surface magnetism using LaMnO3 and SrTiO3 caps
DOI:10.1016/j.jmmm.2013.10.024 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:0 AU: Phillips, L. C.;Maccherozzi, F.;Moya, X.;Ghidini, M.;Yan, W.;Soussi, J.;Dhesi, S. S.;Mathur, N. D.;
7:3:42:1 Electronic and structural properties of the oxygen vacancy in BaTiO3
DOI:10.1063/1.3583460 JN:APPLIED PHYSICS LETTERS PY:2011 TC:14 AU: Choi, Minseok;Oba, Fumiyasu;Tanaka, Isao;
7:3:42:2 Controlling Interface Intermixing and Properties of SrTiO3-Based Superlattices
DOI:10.1002/adfm.201100230 JN:ADVANCED FUNCTIONAL MATERIALS PY:2011 TC:10 AU: Mizoguchi, Teruyasu;Ohta, Hiromichi;Lee, Hak-Sung;Takahashi, Nobuaki;Ikuhara, Yuichi;
7:3:42:3 First-principles study on migration mechanism in SrTiO3
DOI:10.1063/1.3560464 JN:APPLIED PHYSICS LETTERS PY:2011 TC:12 AU: Mizoguchi, Teruyasu;Takahashi, Nobuaki;Lee, Hak-Sung;
7:3:42:4 Electronic reconstruction at n-type SrTiO3/OLaAlO3 interfaces
DOI:10.1103/PhysRevB.81.085113 JN:PHYSICAL REVIEW B PY:2010 TC:12 AU: Verbeeck, J.;Bals, S.;Kravtsova, A. N.;Lamoen, D.;Luysberg, M.;Huijben, M.;Rijnders, G.;Brinkman, A.;Hilgenkamp, H.;Blank, D. H. A.;Van Tendeloo, G.;
7:3:42:5 Strontium migration assisted by oxygen vacancies in SrTiO3 from classical and quantum mechanical simulations
DOI:10.1103/PhysRevB.83.220301 JN:PHYSICAL REVIEW B PY:2011 TC:10 AU: Walsh, Aron;Catlow, C. Richard A.;Smith, Alastair G. H.;Sokol, Alexey A.;Woodley, Scott M.;
7:3:42:6 Defect energetics in LaAlO3 polymorphs: A first-principles study
DOI:10.1103/PhysRevB.86.094117 JN:PHYSICAL REVIEW B PY:2012 TC:7 AU: Yamamoto, Takashi;Mizoguchi, Teruyasu;
7:3:42:7 The influence of neighboring vacancies and their charge state on the atomic migration of LaAlO3
DOI:10.1063/1.4807818 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Yamamoto, Takashi;Mizoguchi, Teruyasu;
7:3:42:8 Importance of Fermi energy for understanding the intermixing behavior at the LaAlO3/SrTiO3 heterointerface
DOI:10.1063/1.4902314 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Yamamoto, Takashi;Mizoguchi, Teruyasu;
7:3:42:9 Impact of vacancy clusters on characteristic resistance change of nonstoichiometric strontium titanate nano-film
DOI:10.1063/1.4860961 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Kim, Yong Su;Kim, Jiyeon;Yoon, Moon Jee;Sohn, Chang Hee;Lee, Shin Buhm;Lee, Daesu;Jeon, Byung Chul;Yoo, Hyang Keun;Noh, Tae Won;Bostwick, Aaron;Rotenberg, Eli;Yu, Jaejun;Bu, Sang Don;Mun, Bongjin Simon;
7:3:42:10 Energetics and electronic structure of La/Sr disorder at the interface of SrTiO3/LaTiO3 heterostructure
DOI:10.1063/1.3629786 JN:APPLIED PHYSICS LETTERS PY:2011 TC:2 AU: Pulikkotil, J. J.;Auluck, S.;Kumar, Pramod;Dogra, Anjana;Budhani, R. C.;
7:3:42:11 Diversity of hydrogen configuration and its roles in SrTiO3-delta
DOI:10.1063/1.4854355 JN:APL MATERIALS PY:2014 TC:2 AU: Iwazaki, Yoshiki;Gohda, Yoshihiro;Tsuneyuki, Shinji;
7:3:42:12 Evolution of multiple dielectric responses and relaxor-like behaviors in pure and nitrogen-ion-implanted (Ba, Sr)TiO3 thin films
DOI:10.1063/1.4869477 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Gao, Y. H.;Yang, J.;Shen, H.;Sun, J. L.;Meng, X. J.;Chu, J. H.;
7:3:42:13 Cr diffusion in alpha-Al2O3: Secondary ion mass spectroscopy and first-principles study
DOI:10.1103/PhysRevB.82.174302 JN:PHYSICAL REVIEW B PY:2010 TC:3 AU: Takahashi, Nobuaki;Mizoguchi, Teruyasu;Nakagawa, Tsubasa;Tohei, Tetsuya;Sakaguchi, Isao;Kuwabara, Akihide;Shibata, Naoya;Yamamoto, Takahisa;Ohashi, Naoki;Ikuhara, Yuichi;
7:3:43:1 Versatile helimagnetic phases under magnetic fields in cubic perovskite SrFeO3
DOI:10.1103/PhysRevB.84.054427 JN:PHYSICAL REVIEW B PY:2011 TC:22 AU: Ishiwata, S.;Tokunaga, M.;Kaneko, Y.;Okuyama, D.;Tokunaga, Y.;Wakimoto, S.;Kakurai, K.;Arima, T.;Taguchi, Y.;Tokura, Y.;
7:3:43:2 Neutron diffraction study of spin and charge ordering in SrFeO3-delta
DOI:10.1103/PhysRevB.85.184109 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Reehuis, M.;Ulrich, C.;Maljuk, A.;Niedermayer, Ch.;Ouladdiaf, B.;Hoser, A.;Hofmann, T.;Keimer, B.;
7:3:43:3 Competing Exchange Interactions on the Verge of a Metal-Insulator Transition in the Two-Dimensional Spiral Magnet Sr3Fe2O7
DOI:10.1103/PhysRevLett.113.147206 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Kim, J. -H.;Jain, Anil;Reehuis, M.;Khaliullin, G.;Peets, D. C.;Ulrich, C.;Park, J. T.;Faulhaber, E.;Hoser, A.;Walker, H. C.;Adroja, D. T.;Walters, A. C.;Inosov, D. S.;Maljuk, A.;Keimer, B.;
7:3:43:4 First-principles calculation of helical spin order in iron perovskite SrFeO3 and BaFeO3
DOI:10.1103/PhysRevB.85.134419 JN:PHYSICAL REVIEW B PY:2012 TC:10 AU: Li, Zhi;Laskowski, Robert;Iitaka, Toshiaki;Tohyama, Takami;
7:3:43:5 Pressure-induced ferromagnetism in cubic perovskite SrFeO3 and BaFeO3
DOI:10.1103/PhysRevB.86.094422 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Li, Zhi;Iitaka, Toshiaki;Tohyama, Takami;
7:3:43:6 Magnetic phase diagram of Sr3Fe2O7-delta
DOI:10.1103/PhysRevB.87.214410 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Peets, D. C.;Kim, J. -H.;Dosanjh, P.;Reehuis, M.;Maljuk, A.;Aliouane, N.;Ulrich, C.;Keimer, B.;
7:3:43:7 BaFeO3 cubic single crystalline thin film: A ferromagnetic insulator
DOI:10.1063/1.4824210 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Chakraverty, S.;Matsuda, T.;Ogawa, N.;Wadati, H.;Ikenaga, E.;Kawasaki, M.;Tokura, Y.;Hwang, H. Y.;
7:3:43:8 Exotic exchange bias at epitaxial ferroelectric-ferromagnetic interfaces
DOI:10.1063/1.4885316 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Paul, Amitesh;Reitinger, Christoph;Autieri, Carmine;Sanyal, Biplab;Kreuzpaintner, Wolfgang;Jutimoosik, Jaru;Yimnirun, Rattikorn;Bern, Francis;Esquinazi, Pablo;Korelis, Panagiotis;Boeni, Peter;
7:3:43:9 Density functional theory studies of the electronic and magnetic structure of GdxSr1-xFeO3 perovskite alloys
DOI:10.1016/j.mssp.2014.08.021 JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING PY:2014 TC:0 AU: Azzouz, M.;Kacimi, S.;Abderahmane, S. Ait;Bououdina, M.;Zaoui, A.;
7:3:43:10 Self-doping and the role of oxygen vacancies in the magnetic properties of cubic BaFeO3-delta
DOI:10.1063/1.4792664 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Ribeiro, B.;Godinho, M.;Cardoso, C.;Borges, R. P.;Gasche, T. P.;
7:3:43:11 Surface morphology, ferromagnetic domains and magnetic anisotropy in BaFeO3-delta thin films: Correlated structure and magnetism
DOI:10.1016/j.jmmm.2013.12.037 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:3 AU: Aziz, Fozia;Pandey, Parul;Chandra, Mahesh;Khare, Amit;Rana, D. S.;Mavani, K. R.;
7:3:43:12 Structural studies of SrFeO3 and SrFe0.5Nb0.5O3 by employing XRD and XANES spectroscopic techniques
DOI:10.1016/j.matchar.2011.07.014 JN:MATERIALS CHARACTERIZATION PY:2011 TC:6 AU: Akhtar, M. Javed;Khan, R. Tahir Ali;
7:3:43:13 Multiple helimagnetic phases and topological Hall effect in epitaxial thin films of pristine and Co-doped SrFeO3
DOI:10.1103/PhysRevB.88.220405 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:3:43:14 Structural and magnetic properties of thin films of BaFeO3-delta deposited by pulsed injection metal-organic chemical vapor deposition
DOI:10.1063/1.4729269 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Ribeiro, B.;Borges, R. P.;da Silva, R. C.;Franco, N.;Ferreira, P.;Alves, E.;Berini, B.;Fouchet, A.;Keller, N.;Godinho, M.;
7:3:43:15 Floating zone growth of large single crystals of SrFeO3-delta
DOI:10.1016/j.jcrysgro.2012.09.049 JN:JOURNAL OF CRYSTAL GROWTH PY:2012 TC:1 AU: Peets, D. C.;Kim, Jung-hwa;Reehuis, M.;Dosanjh, P.;Keimer, B.;
7:3:43:16 Variation of charge dynamics upon the helimagnetic and metal-insulator transitions for perovskite AFeO(3) (A = Sr and Ca)
DOI:10.1103/PhysRevB.85.155141 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Fujioka, J.;Ishiwata, S.;Kaneko, Y.;Taguchi, Y.;Tokura, Y.;
7:3:44:1 Epitaxy of polar semiconductor Co3O4 (110): Growth, structure, and characterization
DOI:10.1063/1.4885048 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:3 AU: Kormondy, Kristy J.;Posadas, Agham B.;Slepko, Alexander;Dhamdhere, Ajit;Smith, David J.;Mitchell, Khadijih N.;Willett-Gies, Travis I.;Zollner, Stefan;Marshall, Luke G.;Zhou, Jianshi;Demkov, Alexander A.;
7:3:44:2 Electronic structure and bonding properties of cobalt oxide in the spinel structure
DOI:10.1103/PhysRevB.83.245204 JN:PHYSICAL REVIEW B PY:2011 TC:23 AU: Chen, Jia;Wu, Xifan;Selloni, Annabella;
7:3:44:3 Nature of the band gap and origin of the electro-/photo-activity of Co3O4
DOI:10.1039/c3tc30861h JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2013 TC:9 AU: Qiao, L.;Xiao, H. Y.;Meyer, H. M.;Sun, J. N.;Rouleau, C. M.;Puretzky, A. A.;Geohegan, D. B.;Ivanov, I. N.;Yoon, M.;Weber, W. J.;Biegalski, M. D.;
7:3:44:4 Electronic states and magnetic structure at the Co3O4(110) surface: A first-principles study
DOI:10.1103/PhysRevB.85.085306 JN:PHYSICAL REVIEW B PY:2012 TC:11 AU: Chen, Jia;Selloni, Annabella;
7:3:44:5 Electronic Structure and Band Alignment at an Epitaxial Spinel/Perovskite Heterojunction
DOI:10.1021/am5036219 JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:0 AU: Qiao, Liang;Li, Wei;Xiao, Haiyan;Meyer, Harry M.;Liang, Xuelei;Nguyen, N. V.;Weber, William J.;Biegalski, Michael D.;
7:3:44:6 Core-shell magnetic exchange model for Co3O4 nanowires
DOI:10.1063/1.4807393 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Chen, Lan;Yang, Yurong;Meng, Xiangkang;
7:3:44:7 Influence of the Arrangement of the Octahedrally Coordinated Trivalent Cobalt Cations on the Electrical Charge Transport and Surface Reactivity
DOI:10.1021/cm1004642 JN:CHEMISTRY OF MATERIALS PY:2010 TC:19 AU: Ngamou, Patrick Herve Tchoua;Bahlawane, Naoufal;
7:3:44:8 Evidence for surface states in a single 3 nm diameter Co3O4 nanowire
DOI:10.1063/1.3457449 JN:APPLIED PHYSICS LETTERS PY:2010 TC:4 AU: Sun, Yi;Yang, Ji-Yong;Xu, Rui;He, Lin;Dou, Rui-Fen;Nie, Jia-Cai;
7:3:44:9 The role of oxygen during the catalytic oxidation of ammonia on Co3O4(100)
DOI:10.1016/j.apsusc.2014.08.021 JN:APPLIED SURFACE SCIENCE PY:2014 TC:2 AU: Shojaee, Kambiz;Haynes, Brian S.;Montoya, Alejandro;
7:3:44:10 Scanning tunnelling microscope studies of angstrom-scale Co3O4 nanowires
DOI:10.1088/0957-4484/21/33/335605 JN:NANOTECHNOLOGY PY:2010 TC:7 AU: Sun, Yi;Xu, Rui;Yang, Ji-Yong;He, Lin;Nie, Jia-Cai;Dou, Rui-Fen;Zhou, Wei;Guo, Lin;
7:3:44:11 Anomalous magnetic properties of 7 nm single-crystal Co3O4 nanowires
DOI:10.1063/1.3674317 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:8 AU: Lv, Ping;Zhang, Yan;Xu, Rui;Nie, Jia-Cai;He, Lin;
7:3:44:12 Insight into oxygen stability and vacancy formation on Co3O4 model slabs
DOI:10.1016/j.commatsci.2013.02.001 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2013 TC:5 AU: Shojaee, Kambiz;Montoya, Alejandro;Haynes, Brian S.;
7:3:44:13 Density Functional Theory Study of the Oxidation of Ammonia on the IrO2(110) Surface
DOI:10.1021/la203339z JN:LANGMUIR PY:2011 TC:6 AU: Wang, Chia-Ching;Siao, Shih Syong;Jiang, Jyh-Chiang;
7:3:45:1 Prediction of thickness limits of ideal polar ultrathin films
DOI:10.1103/PhysRevB.85.121411 JN:PHYSICAL REVIEW B PY:2012 TC:7 AU: Zhong, Zhicheng;Koster, G.;Kelly, Paul J.;
7:3:45:2 Effects of interfacial electron transfer on the magnetic structure of SrMnO3 in LaAlO3/SrMnO3 heterostructures
DOI:10.1016/j.commatsci.2013.09.004 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2014 TC:0 AU: Xu, Qinfang;Li, Chen;Wu, Di;Li, Aidong;
7:3:45:3 Interface reconstruction in superconducting CaCuO2/SrTiO3 superlattices: A hard x-ray photoelectron spectroscopy study
DOI:10.1103/PhysRevB.87.155145 JN:PHYSICAL REVIEW B PY:2013 TC:6 AU: Aruta, C.;Schlueter, C.;Lee, T-L;Di Castro, D.;Innocenti, D.;Tebano, A.;Zegenhagen, J.;Balestrino, G.;
7:3:45:4 Electron-hole liquids in transition-metal oxide heterostructures
DOI:10.1103/PhysRevB.82.073101 JN:PHYSICAL REVIEW B PY:2010 TC:12 AU: Millis, A. J.;Schlom, Darrell G.;
7:3:45:5 Occurrence of a high-temperature superconducting phase in (CaCuO2)(n)/(SrTiO3)(m) superlattices
DOI:10.1103/PhysRevB.86.134524 JN:PHYSICAL REVIEW B PY:2012 TC:10 AU: Di Castro, D.;Salvato, M.;Tebano, A.;Innocenti, D.;Aruta, C.;Prellier, W.;Lebedev, O. I.;Ottaviani, I.;Brookes, N. B.;Minola, M.;Sala, M. Moretti;Mazzoli, C.;Medaglia, P. G.;Ghiringhelli, G.;Braicovich, L.;Cirillo, M.;Balestrino, G.;
7:3:45:6 Experimental Evidence for Oxygen Sublattice Control in Polar Infinite Layer SrCuO2
DOI:10.1103/PhysRevLett.111.096102 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:3 AU: Samal, D.;Tan, Haiyan;Molegraaf, H.;Kuiper, B.;Siemons, W.;Bals, Sara;Verbeeck, Jo;Van Tendeloo, Gustaaf;Takamura, Y.;Arenholz, Elke;Jenkins, Catherine A.;Rijnders, G.;Koster, Gertjan;
7:3:45:7 Control of oxygen sublattice structure in ultra-thin SrCuO2 films studied by X-ray photoelectron diffraction
DOI:10.1063/1.4824779 JN:APL MATERIALS PY:2013 TC:1 AU: Kuiper, Bouwe;Samal, D.;Blank, Dave H. A.;ten Elshof, Johan E.;Rijnders, Guus;Koster, Gertjan;
7:3:45:8 Evidence of electronic band redistribution in La0.65Sr0.35MnO3-delta by hard x-ray photoelectron spectroscopy
DOI:10.1103/PhysRevB.86.155102 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Schlueter, C.;Orgiani, P.;Lee, T. -L.;Petrov, A. Yu.;Galdi, A.;Davidson, B. A.;Zegenhagen, J.;Aruta, C.;
7:3:45:9 Raman spectroscopy study of the interface structure in (CaCuO2)n/(SrTiO3)m superlattices
DOI:10.1063/1.4828358 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Di Castro, D.;Caramazza, S.;Innocenti, D.;Balestrino, G.;Marini, C.;Dore, P.;Postorino, P.;
7:3:45:10 Charge localization at the interface between La1-xSrxMnO3 and the "infinite layers" cuprate CaCuO2
DOI:10.1063/1.4768680 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Yang, Nan;Di Castro, D.;Aruta, C.;Mazzoli, C.;Minola, M.;Brookes, N. B.;Sala, M. Moretti;Prellier, W.;Lebedev, O. I.;Tebano, A.;Balestrino, G.;
7:3:45:11 Optical response of oxygen deficient La0.7Sr0.3MnO3 thin films deposited by pulsed laser deposition
DOI:10.1016/j.tsf.2013.07.071 JN:THIN SOLID FILMS PY:2013 TC:1 AU: Cesaria, M.;Caricato, A. P.;Leggieri, G.;Martino, M.;Maruccio, G.;
7:3:45:12 Growth and interfacial properties of epitaxial CaCuO2 thin films
DOI:10.1063/1.4767117 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Fuchs, D.;Mueller, P.;Sleem, A.;Schneider, R.;Gerthsen, D.;v. Loehneysen, H.;
7:3:45:13 Experimental Evidence for Oxygen Sublattice Control in Polar Infinite Layer SrCuO2 (vol 111, 096102, 2013)
DOI:10.1103/PhysRevLett.111.109902 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:0 AU: Samal, D.;Tan, Haiyan;Molegraaf, H.;Kuiper, B.;Siemons, W.;Bals, Sara;Verbeeck, Jo;Van Tendeloo, Gustaaf;Takamura, Y.;Arenholz, Elke;Jenkins, Catherine A.;Rijnders, G.;Koster, Gertjan;
7:3:46:1 Integration of Self-Assembled Epitaxial BiFeO3-CoFe2O4 Multiferroic Nanocomposites on Silicon Substrates
DOI:10.1002/adfm.201401458 JN:ADVANCED FUNCTIONAL MATERIALS PY:2014 TC:2 AU: Kim, Dong Hun;Aimon, Nicolas M.;Sun, Xue Yin;Kornblum, Lior;Walker, Fred J.;Ahn, Charles H.;Ross, Caroline A.;
7:3:46:2 Magnetoelastic effects in SrTi1-xMxO3 (M = Fe, Co, or Cr) epitaxial thin films
DOI:10.1103/PhysRevB.84.014416 JN:PHYSICAL REVIEW B PY:2011 TC:17 AU: Kim, Dong Hun;Bi, Lei;Jiang, Peng;Dionne, Gerald F.;Ross, C. A.;
7:3:46:3 Probing Individual Layers in Functional Oxide Multilayers by Wavelength-Dependent Raman Scattering
DOI:10.1002/adfm.201201272 JN:ADVANCED FUNCTIONAL MATERIALS PY:2012 TC:10 AU: Kreisel, Jens;Weber, Mads C.;Dix, Nico;Sanchez, Florencio;Thomas, Pamela. A.;Fontcuberta, Josep;
7:3:46:4 Self-Assembled Single-Phase Perovskite Nanocomposite Thin Films
DOI:10.1021/nl903611t JN:NANO LETTERS PY:2010 TC:19 AU: Kim, Hyun-Suk;Bi, Lei;Paik, Hanjong;Yang, Dae-Jin;Park, Yun Chang;Dionne, Gerald F.;Ross, Caroline A.;
7:3:46:5 Yttria-stabilized zirconia/SrTiO3 oxide heteroepitaxial interface with symmetry discontinuity
DOI:10.1063/1.4885089 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Scigaj, M.;Dix, N.;Cabero, M.;Rivera-Calzada, A.;Santamaria, J.;Fontcuberta, J.;Herranz, G.;Sanchez, F.;
7:3:46:6 Ferromagnetism in single crystal and nanocomposite Sr(Ti,Fe)O-3 epitaxial films
DOI:10.1039/c1jm11286d JN:JOURNAL OF MATERIALS CHEMISTRY PY:2011 TC:9 AU: Kim, Hyun-Suk;Bi, Lei;Kim, Dong Hun;Yang, Dae-Jin;Choi, Yoon Jeong;Lee, Jung Woo;Kang, Jeung Ku;Park, Yun Chang;Dionne, Gerald F.;Ross, Caroline A.;
7:3:46:7 Flat epitaxial ferromagnetic CoFe2O4 films on buffered Si(001)
DOI:10.1016/j.tsf.2010.12.200 JN:THIN SOLID FILMS PY:2011 TC:7 AU: Bachelet, R.;de Coux, P.;Warot-Fonrose, B.;Skumryev, V.;Fontcuberta, J.;Sanchez, F.;
7:3:46:8 The role of deposition conditions on the structure and magnetic properties of SrTi1-xFexO3 films
DOI:10.1063/1.3673415 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Kim, Dong Hun;Aimon, Nicolas M.;Bi, Lei;Dionne, Gerald F.;Ross, C. A.;
7:3:46:9 Structure and magnetism of epitaxial SrTi0.78Cu0.22O3-delta films with mixed-valence Cu ions
DOI:10.1063/1.4821022 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Kim, Dong Hun;Dionne, Gerald F.;Ross, C. A.;
7:3:46:10 Generic model of superexchange effects in magnetoelastic oxides
DOI:10.1063/1.4798498 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Dionne, G. F.;Kim, D. H.;Bi, L.;Ross, C. A.;
7:3:47:1 Tailoring magnetic anisotropy in epitaxial half metallic La0.7Sr0.3MnO3 thin films
DOI:10.1063/1.3605542 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:15 AU: Perna, P.;Rodrigo, C.;Jimenez, E.;Teran, F. J.;Mikuszeit, N.;Mechin, L.;Camarero, J.;Miranda, R.;
7:3:47:2 Magnetic domain structure of La0.7Sr0.3MnO3 thin-films probed at variable temperature with scanning electron microscopy with polarization analysis
DOI:10.1063/1.4798538 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Reeve, Robert M.;Mix, Christian;Koenig, Markus;Foerster, Michael;Jakob, Gerhard;Klaeui, Mathias;
7:3:47:3 Direct experimental determination of the anisotropic magnetoresistive effects
DOI:10.1063/1.4878555 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Perna, P.;Maccariello, D.;Rodrigo, C.;Cunado, J. L. F.;Munoz, M.;Prieto, J. L.;Nino, M. A.;Bollero, A.;Camarero, J.;Miranda, R.;
7:3:47:4 Control of spin configuration in half-metallic La0.7Sr0.3MnO3 nano-structures
DOI:10.1063/1.3623480 JN:APPLIED PHYSICS LETTERS PY:2011 TC:11 AU: Rhensius, J.;Vaz, C. A. F.;Bisig, A.;Schweitzer, S.;Heidler, J.;Koerner, H. S.;Locatelli, A.;Nino, M. A.;Weigand, M.;Mechin, L.;Gaucher, F.;Goering, E.;Heyderman, L. J.;Klaeui, M.;
7:3:47:5 Magnetic anisotropy and magnetization reversal of La0.67Sr0.33MnO3 thin films on SrTiO3(110)
DOI:10.1063/1.3506407 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:12 AU: Boschker, Hans;Kautz, Jaap;Houwman, Evert P.;Koster, Gertjan;Blank, Dave H. A.;Rijnders, Guus;
7:3:47:6 Control of the magnetization in pre-patterned half-metallic La0.7Sr0.3MnO3 nanostructures
DOI:10.1063/1.4765672 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Heidler, J.;Rhensius, J.;Vaz, C. A. F.;Wohlhueter, P.;Koerner, H. S.;Bisig, A.;Schweitzer, S.;Farhan, A.;Mechin, L.;Le Guyader, L.;Nolting, F.;Locatelli, A.;Mentes, T. O.;Nino, M. A.;Kronast, F.;Heyderman, L. J.;Klaeui, M.;
7:3:47:7 Direct observation of magnetization reversal and low field magnetoresistance of epitaxial La0.7Sr0.3MnO3/SrTiO3 (001) thin films at room temperature
DOI:10.1063/1.4730966 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:6 AU: Fadil, D.;Wu, S.;Perna, P.;Renault, B.;Saib, M.;Lebargy, S.;Gasnier, J.;Guillet, B.;Routoure, J. -M.;Flament, S.;Mechin, L.;
7:3:47:8 Efficient spin transfer torque in La2/3Sr1/3MnO3 nanostructures
DOI:10.1063/1.4865415 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Foerster, Michael;Pena, Luis;Vaz, C. A. F.;Heinen, Jan;Finizio, Simone;Schulz, Tomek;Bisig, Andre;Buettner, Felix;Eisebitt, Stefan;Mechin, Laurence;Huehn, Sebastian;Moshnyaga, Vasily;Klaeui, Mathias;
7:3:47:9 Direct observation of temperature dependent magnetic domain structure of the multiferroic La0.66Sr0.34MnO3/BiFeO3 bilayer system by x-ray linear dichroism- and x-ray magnetic circular dichroism-photoemission electron microscopy
DOI:10.1063/1.4876300 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Mix, C.;Finizio, S.;Buzzi, M.;Kronast, F.;Nolting, F.;Jakob, G.;Klaeui, M.;
7:3:47:10 Magnetic anisotropy reversal by shear stress in (110)-orientated La2/3Ca1/3MnO3 films
DOI:10.1063/1.4891638 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Li, Y.;Sun, J. R.;Zhang, J.;Shen, B. G.;
7:3:47:11 Noise investigation of the orthogonal fluxgate employing alternating direct current bias
DOI:10.1063/1.3562979 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Weiss, Eyal;Paperno, Eugene;
7:3:47:12 Magnetization reversal in half metallic La0.7Sr0.3MnO3 films grown onto vicinal surfaces
DOI:10.1063/1.3560893 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Perna, P.;Rodrigo, C.;Jimenez, E.;Mikuszeit, N.;Teran, F. J.;Mechin, L.;Camarero, J.;Miranda, R.;
7:3:47:13 Tailoring magnetic anisotropy in epitaxial half metallic La0.7Sr0.3MnO3 thin films (vol 110, 013919, 2011)
DOI:10.1063/1.3656371 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Perna, P.;Rodrigo, C.;Jimenez, E.;Teran, F. J.;Mikuszeit, N.;Mechin, L.;Camarero, J.;Miranda, R.;
7:3:47:14 Magnetization reversal signatures in the magnetoresistance of magnetic multilayers
DOI:10.1103/PhysRevB.86.024421 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Perna, P.;Rodrigo, C.;Munoz, M.;Prieto, J. L.;Bollero, A.;Maccariello, D.;Cunado, J. L. F.;Romera, M.;Akerman, J.;Jimenez, E.;Mikuszeit, N.;Cros, V.;Camarero, J.;Miranda, R.;
7:3:47:15 Orthogonal fluxgate employing discontinuous excitation
DOI:10.1063/1.3360632 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Weiss, Eyal;Paperno, Eugene;Plotkin, Anton;
7:3:47:16 Theoretical analysis of the intrinsic magnetic noise spectral density of magnetostrictive-piezoelectric laminated composites
DOI:10.1063/1.3594714 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Zhuang, X.;Cordier, C.;Saez, S.;Sing, M. Lam Chok;Dolabdjian, C.;Gao, J.;Li, J. F.;Viehland, D.;
7:3:48:1 Vacant-Site Octahedral Tilings on SrTiO3 (001), the (root 13 x root 13)R33.7 degrees Surface, and Related Structures
DOI:10.1103/PhysRevLett.106.176102 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:18 AU: Kienzle, D. M.;Becerra-Toledo, A. E.;Marks, L. D.;
7:3:48:2 Atomic-Scale Visualization of Initial Growth of Homoepitaxial SrTiO3 Thin Film on an Atomically Ordered Substrate
DOI:10.1021/nn202477n JN:ACS NANO PY:2011 TC:13 AU: Shimizu, Ryota;Iwaya, Katsuya;Ohsawa, Takeo;Shiraki, Susumu;Hasegawa, Tetsuya;Hashizume, Tomihiro;Hitosugi, Taro;
7:3:48:3 Effect of oxygen deficiency on SrTiO3(001) surface reconstructions
DOI:10.1063/1.4730409 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Shimizu, Ryota;Iwaya, Katsuya;Ohsawa, Takeo;Shiraki, Susumu;Hasegawa, Tetsuya;Hashizume, Tomihiro;Hitosugi, Taro;
7:3:48:4 Imaging the Evolution of d States at a Strontium Titanate Surface
DOI:10.1021/ja509231w JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2014 TC:0 AU: Hamada, Ikutaro;Shimizu, Ryota;Ohsawa, Takeo;Iwaya, Katsuya;Hashizume, Tomihiro;Tsukada, Masaru;Akagi, Kazuto;Hitosugi, Taro;
7:3:48:5 Chemical imaging and angle-resolved photoemission study of well-ordered thermally reduced SrTiO3(100)
DOI:10.1103/PhysRevB.85.125115 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Frantzeskakis, Emmanouil;Avila, Jose;Asensio, Maria C.;
7:3:48:6 Stripe charge ordering in SrO-terminated SrTiO3(001) surfaces
DOI:10.1103/PhysRevB.83.125117 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Iwaya, Katsuya;Shimizu, Ryota;Ohsawa, Takeo;Hashizume, Tomihiro;Hitosugi, Taro;
7:3:48:7 Visualizing Atomistic Formation Process of SrOx Thin Films on SrTiO3
DOI:10.1021/nn405359u JN:ACS NANO PY:2014 TC:5 AU: Ohsawa, Takeo;Shimizu, Ryota;Iwaya, Katsuya;Hitosugi, Taro;
7:3:48:8 Thickness-dependent local surface electronic structures of homoepitaxial SrTiO3 thin films
DOI:10.1063/1.3485826 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:13 AU: Ohsawa, T.;Iwaya, K.;Shimizu, R.;Hashizume, T.;Hitosugi, T.;
7:3:48:9 Nanoscale structural variation observed on the vicinal SrTiO3(001) surface
DOI:10.1063/1.3447796 JN:APPLIED PHYSICS LETTERS PY:2010 TC:6 AU: Shiraki, Susumu;Nantoh, Masashi;Katano, Satoshi;Kawai, Maki;
7:3:48:10 Selective growth of perovskite oxides on SrTiO3 (001) by control of surface reconstructions
DOI:10.1063/1.3583443 JN:APPLIED PHYSICS LETTERS PY:2011 TC:7 AU: Phark, Soo-hyon;Chang, Young Jun;Noh, Tae Won;
7:3:48:11 Solid phase epitaxy of EuTiO3 thin films on SrTiO3 (100) substrates with different oxygen contents
DOI:10.1016/j.jcrysgro.2012.12.117 JN:JOURNAL OF CRYSTAL GROWTH PY:2013 TC:0 AU: Shimamoto, K.;Hirose, Y.;Nakao, S.;Fukumura, T.;Hasegawa, T.;
7:3:48:12 Low-temperature solid phase epitaxy for integrating advanced source/drain metal-oxide-semiconductor structures
DOI:10.1063/1.3298354 JN:APPLIED PHYSICS LETTERS PY:2010 TC:3 AU: Gouye, A.;Berbezier, I.;Favre, L.;Amiard, G.;Aouassa, M.;Campidelli, Y.;Halimaoui, A.;
7:3:48:13 Surface reconstructions in molecular beam epitaxy of SrTiO3
DOI:10.1063/1.4901726 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Kajdos, Adam P.;Stemmer, Susanne;
7:3:48:14 Insights into solid phase epitaxy of ultrahighly doped silicon
DOI:10.1063/1.3408556 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:2 AU: Gouye, A.;Berbezier, I.;Favre, L.;Aouassa, M.;Amiard, G.;Ronda, A.;Campidelli, Y.;Halimaoui, A.;
7:3:49:1 Topotactic Phase Transformation of the Brownmillerite SrCoO2.5 to the Perovskite SrCoO3-delta
DOI:10.1002/adma.201300531 JN:ADVANCED MATERIALS PY:2013 TC:17 AU: Jeen, H.;Choi, W. S.;Freeland, J. W.;Ohta, H.;Jung, C. U.;Lee, H. N.;
7:3:49:2 Preparation of SrCoOx thin films on LaAlO3 substrate and their reversible redox process at moderate temperatures
DOI:10.1016/j.jcrysgro.2015.06.010 JN:JOURNAL OF CRYSTAL GROWTH PY:2015 TC:0 AU: Hao, L.;Zhang, Z. F.;Xie, X. N.;Wang, H. R.;Yu, Q. X.;Zhu, H.;
7:3:49:3 Resistance switching in epitaxial SrCoOx thin films
DOI:10.1063/1.4893323 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Tambunan, Octolia T.;Parwanta, Kadek J.;Acharya, Susant K.;Lee, Bo Wha;Jung, Chang Uk;Kim, Yeon Soo;Park, Bae Ho;Jeong, Huiseong;Park, Ji-Yong;Cho, Myung Rae;Park, Yun Daniel;Choi, Woo Seok;Kim, Dong-Wook;Jin, Hyunwoo;Lee, Suyoun;Song, Seul Ji;Kang, Sung-Jin;Kim, Miyoung;Hwang, Cheol Seong;
7:3:49:4 Magnetic phase separation in SrCoOx (2.5 <= x <= 3)
DOI:10.1063/1.3622644 JN:APPLIED PHYSICS LETTERS PY:2011 TC:5 AU: Xie, C. K.;Nie, Y. F.;Wells, B. O.;Budnick, J. I.;Hines, W. A.;Dabrowski, B.;
7:3:49:5 O-K and Co-L XANES Study on Oxygen Intercalation in Perovskite SrCoO3-delta
DOI:10.1021/cm9021563 JN:CHEMISTRY OF MATERIALS PY:2010 TC:15 AU: Karvonen, Lassi;Valkeapaa, Markus;Liu, Ru-Shi;Chen, Jin-Ming;Yamauchi, Hisao;Karppinen, Maarit;
7:3:49:6 Reversal of the Lattice Structure in SrCoOx Epitaxial Thin Films Studied by Real-Time Optical Spectroscopy and First-Principles Calculations
DOI:10.1103/PhysRevLett.111.097401 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:4 AU: Choi, Woo Seok;Jeen, Hyoungjeen;Lee, Jun Hee;Seo, S. S. Ambrose;Cooper, Valentino R.;Rabe, Karin M.;Lee, Ho Nyung;
7:3:49:7 Growth control of the oxidation state in vanadium oxide thin films
DOI:10.1063/1.4903348 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Lee, Shinbuhm;Meyer, Tricia L.;Park, Sungkyun;Egami, Takeshi;Ho Nyung Lee;
7:3:49:8 Anion charge storage through oxygen intercalation in LaMnO3 perovskite pseudocapacitor electrodes
DOI:10.1038/NMAT4000 JN:NATURE MATERIALS PY:2014 TC:15 AU: Mefford, J. Tyler;Hardin, William G.;Dai, Sheng;Johnston, Keith P.;Stevenson, Keith J.;
7:3:49:9 Orienting Oxygen Vacancies for Fast Catalytic Reaction
DOI:10.1002/adma.201302919 JN:ADVANCED MATERIALS PY:2013 TC:8 AU: Jeen, Hyoungjeen;Bi, Zhonghe;Choi, Woo Seok;Chisholm, Matthew F.;Bridges, Craig A.;Paranthaman, M. Parans;Lee, Ho Nyung;
7:3:49:10 Suppression of magnetic phase separation in epitaxial SrCoOx films
DOI:10.1063/1.4801646 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Rueckert, F. J.;Nie, Y. F.;Abughayada, C.;Sabok-Sayr, S. A.;Mohottala, H. E.;Budnick, J. I.;Hines, W. A.;Dabrowski, B.;Wells, B. O.;
7:3:49:11 Reversible redox reactions in an epitaxially stabilized SrCoOx oxygen sponge
DOI:10.1038/NMAT3736 JN:NATURE MATERIALS PY:2013 TC:21 AU: Jeen, Hyoungjeen;Choi, Woo Seok;Biegalski, Michael D.;Folkman, Chad M.;Tung, I-Cheng;Fong, Dillon D.;Freeland, John W.;Shin, Dongwon;Ohta, Hiromichi;Chisholm, Matthew F.;Lee, Ho Nyung;
7:3:49:12 The n=3 member of the SrCoO(3n-1)/n series of layered oxygen-defect perovskites
DOI:10.1016/j.materresbull.2011.05.028 JN:MATERIALS RESEARCH BULLETIN PY:2011 TC:5 AU: Karvonen, Lassi;Yoon, Songhak;Hug, Paul;Yamauchi, Hisao;Weidenkaff, Anke;Karppinen, Maarit;
7:3:49:13 Unipolar resistive switching characteristics in Co3O4 films
DOI:10.1016/j.tsf.2010.07.075 JN:THIN SOLID FILMS PY:2010 TC:9 AU: Gao, Xu;Guo, Hongxuan;Xia, Yidong;Yin, Jiang;Liu, Zhiguo;
7:3:49:14 Loss of spin glass behavior in ultrathin AuFe films
DOI:10.1103/PhysRevB.81.132402 JN:PHYSICAL REVIEW B PY:2010 TC:0 AU: Fritzsche, H.;van der Knaap, J. M.;Hesselberth, M. B. S.;Nieuwenhuys, G. J.;
7:3:50:1 Band alignment in visible-light photo-active CoO/SrTiO3 (001) heterostructures
DOI:10.1063/1.4905112 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Seo, Hosung;Demkov, Alexander A.;
7:3:50:2 Interface band profiles of Mott-insulator/Nb : SrTiO3 heterojunctions as investigated by optical spectroscopy
DOI:10.1103/PhysRevB.82.201101 JN:PHYSICAL REVIEW B PY:2010 TC:14 AU: Nakamura, Masao;Sawa, Akihito;Fujioka, Jun;Kawasaki, Masashi;Tokura, Yoshinori;
7:3:50:3 Visualizing nanoscale electronic band alignment at the La2/3Ca1/3MnO3/ONb:SrTiO3 interface
DOI:10.1103/PhysRevB.82.041101 JN:PHYSICAL REVIEW B PY:2010 TC:12 AU: Chien, TeYu;Liu, Jian;Chakhalian, Jacques;Guisinger, Nathan P.;Freeland, John W.;
7:3:50:4 Interface-dependent rectifying TbMnO3-based heterojunctions
DOI:10.1063/1.3660322 JN:AIP ADVANCES PY:2011 TC:11 AU: Cui, Yimin;Tian, Yufeng;Liu, Wei;Li, Yongfeng;Wang, Rongming;Wu, Tom;
7:3:50:5 Thermally assisted tunneling transport in La0.7Ca0.3MnO3/SrTiO3:Nb Schottky-like heterojunctions
DOI:10.1103/PhysRevB.85.245122 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Cuellar, F. A.;Sanchez-Santolino, G.;Varela, M.;Clement, M.;Iborra, E.;Sefrioui, Z.;Santamaria, J.;Leon, C.;
7:3:50:6 Magnon spectrum of transition-metal oxides: Calculations including long-range magnetic interactions using the LSDA+U method
DOI:10.1103/PhysRevB.84.174425 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Essenberger, F.;Sharma, S.;Dewhurst, J. K.;Bersier, C.;Cricchio, F.;Nordstrom, L.;Gross, E. K. U.;
7:3:50:7 Exchange parameters and adiabatic magnon energies from spin-spiral calculations
DOI:10.1103/PhysRevB.88.134427 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Jacobsson, Adam;Sanyal, Biplab;Lezaic, Marjana;Bluegel, Stefan;
7:3:50:8 Comment on "Controllable local modification of fractured Nb-doped SrTiO3 surfaces" [Appl. Phys. Lett. 95, 163107 (2009)]
DOI:10.1063/1.3601470 JN:APPLIED PHYSICS LETTERS PY:2011 TC:2 AU: Chen, Y. L.;Xiong, C. M.;Nie, J. C.;
7:3:50:9 Response to "Comment on 'Controllable local modification of fractured Nb-doped SrTiO3 surfaces'" [Appl. Phys. Lett. 98, 256102 (2011)]
DOI:10.1063/1.3601471 JN:APPLIED PHYSICS LETTERS PY:2011 TC:0 AU: Chien, TeYu;Santos, Tiffany S.;Bode, Matthias;Guisinger, Nathan P.;Freeland, John W.;
7:3:50:10 Photocarrier collection from depletion layer of LaMnO3
DOI:10.1063/1.3677790 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Fujioka, J.;Nakamura, M.;Kawasaki, M.;Tokura, Y.;
7:3:50:11 Carrier multiplication and separation in systems with strong electron interaction: Photoinduced dynamics of a junction solar cell
DOI:10.1103/PhysRevB.87.165126 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Koshibae, W.;Furukawa, N.;Nagaosa, N.;
7:3:50:12 Effect of temperature on the La1-xCaxMnO3/SrTiO3:Nb (x=0-0.75) heterojunctions
DOI:10.1063/1.3462322 JN:APPLIED PHYSICS LETTERS PY:2010 TC:1 AU: Lu, X. Y.;Sun, J. R.;Wei, A. D.;Gao, W. W.;Shang, D. S.;Wang, J.;Wang, Z. H.;Shen, B. G.;
7:3:50:13 Heterojunction of multiferroic HoMnO3 on Nb-doped SrTiO3
DOI:10.1063/1.4795218 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Han, T. C.;Chen, C. T.;Pan, S. S.;Lin, J. G.;
7:3:50:14 Dielectric characteristics of Ga doped TbMnO3
DOI:10.1016/j.mseb.2012.11.025 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2013 TC:0 AU: Xu, Jianxun;Cui, Yimin;
7:3:51:1 Oxide Heterostructures for Efficient Solar Cells
DOI:10.1103/PhysRevLett.110.078701 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:15 AU: Assmann, Elias;Blaha, Peter;Laskowski, Robert;Held, Karsten;Okamoto, Satoshi;Sangiovanni, Giorgio;
7:3:51:2 First-principles modeling of Pt/LaAlO3/SrTiO3 capacitors under an external bias potential
DOI:10.1103/PhysRevB.85.075426 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Cazorla, Claudio;Stengel, Massimiliano;
7:3:51:3 Epitaxial growth and transport properties of BaTiO3/LaAlO3/SrTiO3 heterostructures
DOI:10.1016/j.ceramint.2014.05.084 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Gao, Haobin;Peng, Wei;Zhu, Xiaohong;Hu, Tao;Xie, Xiaoming;Zhu, Jiliang;
7:3:51:4 Enhanced Electrical Transparency by Ultrathin LaAlO3 Insertion at Oxide Metal/Semiconductor Heterointerfaces
DOI:10.1021/nl504169m JN:NANO LETTERS PY:2015 TC:0 AU: Yajima, Takeaki;Minohara, Makoto;Bell, Christopher;Kumigashira, Hiroshi;Oshima, Masaharu;Hwang, Harold Y.;Hikita, Yasuyuki;
7:3:51:5 Diodes with breakdown voltages enhanced by the metal-insulator transition of LaAlO3-SrTiO3 interfaces
DOI:10.1063/1.3428433 JN:APPLIED PHYSICS LETTERS PY:2010 TC:16 AU: Jany, R.;Breitschaft, M.;Hammerl, G.;Horsche, A.;Richter, C.;Paetel, S.;Mannhart, J.;Stucki, N.;Reyren, N.;Gariglio, S.;Zubko, P.;Caviglia, A. D.;Triscone, J. -M.;
7:3:51:6 Metal-insulator transition at a depleted LaAlO3/SrTiO3 interface: Evidence for charge transfer induced by SrTiO3 phase transitions
DOI:10.1063/1.3656703 JN:APPLIED PHYSICS LETTERS PY:2011 TC:10 AU: Lue, W. M.;Wang, X.;Liu, Z. Q.;Dhar, S.;Annadi, A.;Gopinadhan, K.;Barman, A. Roy;Su, H. B.;Venkatesan, T.;Ariando;
7:3:51:7 Low frequency noise in La0.7Sr0.3MnO3 based magnetic tunnel junctions
DOI:10.1063/1.3698393 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Guerrero, R.;Solignac, A.;Fermon, C.;Pannetier-Lecoeur, M.;Lecoeur, Ph.;Fernandez-Pacheco, R.;
7:3:51:8 Thermally excited multiband conduction in LaAlO3/SrTiO3 heterostructures exhibiting magnetic scattering
DOI:10.1103/PhysRevB.88.241301 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:3:52:1 Variational pseudo-self-interaction-corrected density functional approach to the ab initio description of correlated solids and molecules
DOI:10.1103/PhysRevB.84.195127 JN:PHYSICAL REVIEW B PY:2011 TC:26 AU: Filippetti, A.;Pemmaraju, C. D.;Sanvito, S.;Delugas, P.;Puggioni, D.;Fiorentini, Vincenzo;
7:3:52:2 Exchange interactions and magnetic phases of transition metal oxides: Benchmarking advanced ab initio methods
DOI:10.1103/PhysRevB.84.115114 JN:PHYSICAL REVIEW B PY:2011 TC:15 AU: Archer, T.;Pemmaraju, C. D.;Sanvito, S.;Franchini, C.;He, J.;Filippetti, A.;Delugas, P.;Puggioni, D.;Fiorentini, V.;Tiwari, R.;Majumdar, P.;
7:3:52:3 Exceptionally large room-temperature ferroelectric polarization in the PbNiO3 multiferroic nickelate: First-principles study
DOI:10.1103/PhysRevB.86.014116 JN:PHYSICAL REVIEW B PY:2012 TC:9 AU: Hao, X. F.;Stroppa, A.;Picozzi, S.;Filippetti, A.;Franchini, C.;
7:3:52:4 Multigap absorption in CaCu3Ti4O12 and the prediction capability of ab initio methods
DOI:10.1103/PhysRevB.90.045132 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Ricci, Francesco;Alippi, Paola;Filippetti, Alessio;Fiorentini, Vincenzo;
7:3:52:5 Designing asymmetric multiferroics with strong magnetoelectric coupling
DOI:10.1103/PhysRevB.90.104409 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Lu, X. Z.;Xiang, H. J.;
7:3:52:6 Many-body quasiparticle spectrum of Co-doped ZnO: A GW perspective
DOI:10.1103/PhysRevB.87.245118 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Sarsari, I. Abdolhosseini;Pemmaraju, C. D.;Salamati, Hadi;Sanvito, S.;
7:3:52:7 First-principles calculation of electronic and structural properties of YBa2Cu3O6+y
DOI:10.1103/PhysRevB.82.195122 JN:PHYSICAL REVIEW B PY:2010 TC:4 AU: Lopez, Giorgia M.;Filippetti, Alessio;Mantega, Mauro;Fiorentini, Vincenzo;
7:3:52:8 Forces and atomic relaxation in density functional theory with the pseudopotential self-interaction correction
DOI:10.1103/PhysRevB.84.245129 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Wierzbowska, Malgorzata;Majewski, Jacek A.;
7:3:52:9 Origin of polar distortion in LiNbO3-type "ferroelectric" metals: Role of A-site instability and short-range interactions
DOI:10.1103/PhysRevB.90.094108 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Xiang, H. J.;
7:3:53:1 Electrostatic Control of the Evolution from a Superconducting Phase to an Insulating Phase in Ultrathin YBa2CaCu3O7-x Films
DOI:10.1103/PhysRevLett.107.027001 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:36 AU: Leng, Xiang;Garcia-Barriocanal, Javier;Bose, Shameek;Lee, Yeonbae;Goldman, A. M.;
7:3:53:2 Electronically driven superconductor-insulator transition in electrostatically doped La2CuO4+delta thin films
DOI:10.1103/PhysRevB.87.024509 JN:PHYSICAL REVIEW B PY:2013 TC:6 AU: Garcia-Barriocanal, J.;Kobrinskii, A.;Leng, X.;Kinney, J.;Yang, B.;Snyder, S.;Goldman, A. M.;
7:3:53:3 Effective thickness of two-dimensional superconductivity in a tunable triangular quantum well of SrTiO3
DOI:10.1103/PhysRevB.89.020508 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Ueno, K.;Nojima, T.;Yonezawa, S.;Kawasaki, M.;Iwasa, Y.;Maeno, Y.;
7:3:53:4 Superconductor-Insulator Quantum Phase Transition in Disordered FeSe Thin Films
DOI:10.1103/PhysRevLett.108.257003 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:8 AU: Schneider, R.;Zaitsev, A. G.;Fuchs, D.;von Loehneysen, H.;
7:3:53:5 Indications of an Electronic Phase Transition in Two-Dimensional Superconducting YBa2Cu3O7-x Thin Films Induced by Electrostatic Doping
DOI:10.1103/PhysRevLett.108.067004 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:10 AU: Leng, Xiang;Garcia-Barriocanal, Javier;Yang, Boyi;Lee, Yeonbae;Kinney, J.;Goldman, A. M.;
7:3:53:6 Electrostatic Tuning of the Proximity-Induced Exchange Field in EuS/Al Bilayers
DOI:10.1103/PhysRevLett.111.027207 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:1 AU: Liu, T. J.;Prestigiacomo, J. C.;Adams, P. W.;
7:3:53:7 Multiple-gap structure in electric-field-induced surface superconductivity
DOI:10.1103/PhysRevB.87.014505 JN:PHYSICAL REVIEW B PY:2013 TC:5 AU: Mizohata, Yousuke;Ichioka, Masanori;Machida, Kazushige;
7:3:53:8 Disorder-controlled superconductivity at YBa2Cu3O7/SrTiO3 interfaces
DOI:10.1103/PhysRevB.87.245105 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Garcia-Barriocanal, J.;Perez-Munoz, A. M.;Sefrioui, Z.;Arias, D.;Varela, M.;Leon, C.;Pennycook, S. J.;Santamaria, J.;
7:3:53:9 Hole reduction and electron accumulation in YBa2Cu3Oy thin films using an electrochemical technique: Evidence for an n-type metallic state
DOI:10.1103/PhysRevB.84.020502 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Nojima, T.;Tada, H.;Nakamura, S.;Kobayashi, N.;Shimotani, H.;Iwasa, Y.;
7:3:53:10 Metallic state in La-doped YBa2Cu3Oy thin films with n-type charge carriers
DOI:10.1103/PhysRevB.86.045124 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Zeng, S. W.;Wang, X.;Lu, W. M.;Huang, Z.;Motapothula, M.;Liu, Z. Q.;Zhao, Y. L.;Annadi, A.;Dhar, S.;Mao, H.;Chen, W.;Venkatesan, T.;Ariando;
7:3:53:11 Electrostatic Control of the Evolution from a Superconducting Phase to an Insulating Phase in Ultrathin YBa2Cu3O7-x Films (vol 107, 027001, 2011)
DOI:10.1103/PhysRevLett.107.039901 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:0 AU: Leng, Xiang;Garcia-Barriocanal, Javier;Bose, Shameek;Lee, Yeonbae;Goldman, A. M.;
7:3:54:1 Coexistence of two-dimensional and three-dimensional Shubnikov-de Haas oscillations in Ar+-irradiated KTaO3
DOI:10.1103/PhysRevB.88.085102 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Harashima, S.;Bell, C.;Kim, M.;Yajima, T.;Hikita, Y.;Hwang, H. Y.;
7:3:54:2 Anisotropic magnetotransport in SrTiO3 surface electron gases generated by Ar+ irradiation
DOI:10.1103/PhysRevB.83.245120 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Bruno, F. Y.;Tornos, J.;Gutierrez del Olmo, M.;Sanchez Santolino, G.;Nemes, N. M.;Garcia-Hernandez, M.;Mendez, B.;Piqueras, J.;Antorrena, G.;Morellon, L.;De Teresa, J. M.;Clement, M.;Iborra, E.;Leon, C.;Santamaria, J.;
7:3:54:3 Electric field tuned crossover from classical to weakly localized quantum transport in electron doped SrTiO3
DOI:10.1103/PhysRevB.81.241307 JN:PHYSICAL REVIEW B PY:2010 TC:12 AU: Ngai, J. H.;Segal, Y.;Su, D.;Zhu, Y.;Walker, F. J.;Ismail-Beigi, S.;Le Hur, K.;Ahn, C. H.;
7:3:54:4 Insulator-to-metal transition of SrTiO3:Nb single crystal surfaces induced by Ar+ bombardment
DOI:10.1063/1.4795611 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Rodenbuecher, C.;Wicklein, S.;Waser, R.;Szot, K.;
7:3:54:5 In situ study of emerging metallicity on ion-bombarded SrTiO3 surface
DOI:10.1063/1.3650254 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:9 AU: Gross, Heiko;Bansal, Namrata;Kim, Yong-Seung;Oh, Seongshik;
7:3:54:6 Electrostatic modulation of anisotropic magnetotransport in Ar+-irradiated SrTiO3: Effects of boundary scattering
DOI:10.1103/PhysRevB.83.045304 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Ngai, J. H.;Segal, Y.;Walker, F. J.;Ahn, C. H.;
7:3:54:7 Vacancy defect and carrier distributions in the high mobility electron gas formed at ion-irradiated SrTiO3 surfaces
DOI:10.1063/1.3369438 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:9 AU: Herranz, G.;Copie, O.;Gentils, A.;Tafra, E.;Basletic, M.;Fortuna, F.;Bouzehouane, K.;Fusil, S.;Jacquet, E.;Carretero, C.;Bibes, M.;Hamzic, A.;Barthelemy, A.;
7:3:54:8 Unusual low-frequency noise in irradiated SrTiO3
DOI:10.1103/PhysRevB.82.035102 JN:PHYSICAL REVIEW B PY:2010 TC:4 AU: Guerrero, R.;Solignac, A.;Pannetier-Lecoeur, M.;Apertet, Y.;Lecoeur, P.;Fermon, C.;
7:3:54:9 Inhomogeneity of donor doping in SrTiO3 substrates studied by fluorescence-lifetime imaging microscopy
DOI:10.1063/1.4825367 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Rodenbuecher, C.;Gensch, T.;Speier, W.;Breuer, U.;Pilch, M.;Hardtdegen, H.;Mikulics, M.;Zych, E.;Waser, R.;Szot, K.;
7:3:54:10 In-Gap States in Wide-Band-Gap SrTiO3 Analyzed by Cathodoluminescence
DOI:10.1111/j.1551-2916.2010.04324.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:6 AU: Yang, Kai-Hsun;Chen, Ting-Yu;Ho, New-Jin;Lu, Hong-Yang;
7:3:55:1 Evolution of magnetic bubble domains in manganite films
DOI:10.1063/1.3615708 JN:APPLIED PHYSICS LETTERS PY:2011 TC:18 AU: Bakaul, S. R.;Lin, W.;Wu, T.;
7:3:55:2 Domain-related origin of magnetic relaxation in compressively strained manganite thin films
DOI:10.1063/1.4733320 JN:APPLIED PHYSICS LETTERS PY:2012 TC:8 AU: Bakaul, S. R.;Miao, B. F.;Lin, W.;Hu, W.;David, A.;Ding, H. F.;Wu, T.;
7:3:55:3 Engineering magnetic domains in manganite thin films by laser interference
DOI:10.1063/1.3673870 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Bakaul, S. R.;Lin, W.;Wu, T.;
7:3:55:4 Angular dependence of the Hall effect of La0.8Sr0.2MnO3 films
DOI:10.1103/PhysRevB.86.184402 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Naftalis, Netanel;Haham, Noam;Hoffman, Jason;Marshall, Matthew S. J.;Ahn, C. H.;Klein, Lior;
7:3:55:5 Suppression of photoconductivity by magnetic field in epitaxial manganite thin films
DOI:10.1063/1.3683551 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Guo, E. J.;Wang, L.;Lu, H. B.;Guo, H. Z.;He, M.;Jin, K. J.;Yang, G. Z.;Gao, J.;
7:3:55:6 Multiple-charge modulations in the ferromagnetic insulating state of lightly doped La1-xSrxMnO3
DOI:10.1103/PhysRevB.83.174401 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Asaka, T.;Mori, S.;Horibe, Y.;Takenaka, K.;Yu, X. Z.;Nagai, T.;Kimoto, K.;Hirayama, T.;Matsui, Y.;
7:3:55:7 Formation of nanoscale magnetic bubbles in ferromagnetic insulating manganite La7/8Sr1/8MnO3
DOI:10.1063/1.4760266 JN:APPLIED PHYSICS LETTERS PY:2012 TC:0 AU: Nagai, T.;Nagao, M.;Kurashima, K.;Asaka, T.;Zhang, W.;Kimoto, K.;
7:3:55:8 Ferromagnetic bubble clusters in Y0.67Ca0.33MnO3 thin films
DOI:10.1063/1.4806967 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Kim, Jeehoon;Haberkorn, N.;Kim, Suenne;Civale, L.;Dowden, P. C.;Movshovich, R.;
7:3:55:9 Enhanced ferromagnetism and glassy state in phase separated La0.95Sr0.05MnO3+delta
DOI:10.1063/1.4763460 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: De, K.;Das, S.;Roy, A.;Dhak, P.;Willinger, M.;Amaral, J. S.;Amaral, V. S.;Giri, S.;Majumder, S.;Silva, C. J. R.;Gomes, M. J. M.;Mahapatra, P. K.;
7:3:55:10 Hall effect measurements on strained and unstrained thin films of La0.7Ca0.3MnO3 and La0.7Sr0.3MnO3
DOI:10.1103/PhysRevB.85.205103 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Dildar, I. Mubeen;Beekman, C.;He, Xin;Aarts, J.;
7:3:55:11 Intrinsic domain-wall resistivity in half-metallic manganite thin films
DOI:10.1103/PhysRevB.86.184404 JN:PHYSICAL REVIEW B PY:2012 TC:0 AU: Bakaul, S. R.;Hu, W.;Wu, T.;Kimura, T.;
7:3:55:12 Self-organized structures of orbital-ordered domains in Nd1-xSr1+xMnO4
DOI:10.1103/PhysRevB.81.060407 JN:PHYSICAL REVIEW B PY:2010 TC:2 AU: Nagai, T.;Kimura, T.;Asaka, T.;Kimoto, K.;Takeguchi, M.;Matsui, Y.;
7:3:55:13 Direct observation of magnetic phase coexistence and magnetization reversal in a Gd0.67Ca0.33MnO3 thin film
DOI:10.1063/1.3676045 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Kim, Jeehoon;Haberkorn, N.;Civale, Leonardo;Nazaretski, Evgeny;Dowden, Paul;Saxena, Avadh;Thompson, J. D.;Movshovich, Roman;
7:3:56:1 Exchange bias induced by the Fe3O4 Verwey transition
DOI:10.1103/PhysRevB.85.134447 JN:PHYSICAL REVIEW B PY:2012 TC:13 AU: de la Venta, J.;Erekhinsky, M.;Wang, Siming;West, K. G.;Morales, R.;Schuller, Ivan K.;
7:3:56:2 Controlling the coexisting vertical magnetization shift and exchange bias in La0.3Sr0.7FeO3/SrRuO3 bilayers
DOI:10.1063/1.4867352 JN:APPLIED PHYSICS LETTERS PY:2014 TC:3 AU: Rana, Rakesh;Pandey, Parul;Rana, D. S.;
7:3:56:3 Spin-orbit coupling induced Mott transition in Ca2-xSrxRuO4 (0 <= x <= 0.2)
DOI:10.1103/PhysRevB.84.235136 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Liu, Guo-Qiang;
7:3:56:4 Giant vertical magnetization shift induced by spin canting in a Co/Ca2Ru0.98Fe0.02FeO4 heterostructure
DOI:10.1103/PhysRevB.88.024413 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Yuan, S. J.;Li, L.;Qi, T. F.;DeLong, L. E.;Cao, G.;
7:3:56:5 Increased metal-insulator transition temperatures in epitaxial thin films of V2O3 prepared in reduced oxygen environments
DOI:10.1063/1.3574910 JN:APPLIED PHYSICS LETTERS PY:2011 TC:8 AU: Brockman, J.;Aetukuri, N. P.;Topuria, T.;Samant, M. G.;Roche, K. P.;Parkin, S. S. P.;
7:3:56:6 Spin valve effect across the metal-insulator transition in V2O3
DOI:10.1063/1.4824294 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Erekhinsky, Mikhail;de la Venta, J.;Schuller, Ivan K.;
7:3:56:7 Negative Volume Thermal Expansion Via Orbital and Magnetic Orders in Ca2Ru1-xCrxO4(0 < x < 0.13)
DOI:10.1103/PhysRevLett.105.177203 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:8 AU: Qi, T. F.;Korneta, O. B.;Parkin, S.;De Long, L. E.;Schlottmann, P.;Cao, G.;
7:3:56:8 Competition between spin-orbit coupling and magnetic exchange splitting in Ca2RuO4
DOI:10.1103/PhysRevB.88.104428 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Liu, Guo-Qiang;
7:3:56:9 Magnetic and orbital orders coupled to negative thermal expansion in Mott insulators Ca(2)Ru1-xMxO(4) (M = Mn and Fe)
DOI:10.1103/PhysRevB.85.165143 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Qi, T. F.;Korneta, O. B.;Parkin, S.;Hu, Jiangping;Cao, G.;
7:3:56:10 Structural and dielectric properties of (001) and (111)-oriented BaZr0.2Ti0.8O3 epitaxial thin films
DOI:10.1016/j.tsf.2009.12.061 JN:THIN SOLID FILMS PY:2010 TC:4 AU: Ventura, J.;Fina, I.;Ferrater, C.;Langenberg, E.;Coy, L. E.;Polo, M. C.;Garcia-Cuenca, M. V.;Fabrega, L.;Varela, M.;
7:3:56:11 Modification of electrical and surface properties of V2O3 multilayer films on resin-impregnated highly oriented pyrolytic graphite composite substrates by shrinkage stress relaxation with chemical additives
DOI:10.1016/j.tsf.2013.09.005 JN:THIN SOLID FILMS PY:2013 TC:2 AU: Jung, Hye-Mi;Um, Sukkee;
7:3:56:12 Exchange bias induced by the Fe3O4 Verwey transition (vol 85, 134447, 2012)
DOI:10.1103/PhysRevB.86.139902 JN:PHYSICAL REVIEW B PY:2012 TC:0 AU: de la Venta, J.;Erekhinsky, M.;Wang, Siming;West, K. G.;Morales, R.;Schuller, Ivan K.;
7:3:57:1 The cubic to tetragonal phase transition in SrTiO3 single crystals near its surface under internal and external strains
DOI:10.1063/1.3324695 JN:APPLIED PHYSICS LETTERS PY:2010 TC:17 AU: Loetzsch, R.;Luebcke, A.;Uschmann, I.;Foerster, E.;Grosse, V.;Thuerk, M.;Koettig, T.;Schmidl, F.;Seidel, P.;
7:3:57:2 Large out-of-plane ferroelectric polarization in flat epitaxial BaTiO3 on CoFe2O4 heterostructures
DOI:10.1063/1.4803943 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Dix, N.;Fina, I.;Bachelet, R.;Fabrega, L.;Kanamadi, C.;Fontcuberta, J.;Sanchez, F.;
7:3:57:3 Nonferroelectric contributions to the hysteresis cycles in manganite thin films: A comparative study of measurement techniques
DOI:10.1063/1.3555098 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:8 AU: Fina, I.;Fabrega, L.;Langenberg, E.;Marti, X.;Sanchez, F.;Varela, M.;Fontcuberta, J.;
7:3:57:4 Dielectric properties of (Bi0.9La0.1)(2)NiMnO6 thin films: Determining the intrinsic electric and magnetoelectric response
DOI:10.1103/PhysRevB.86.085108 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Langenberg, E.;Fina, I.;Ventura, J.;Noheda, B.;Varela, M.;Fontcuberta, J.;
7:3:57:5 Optical probe of ferroelectric order in bulk and thin-film perovskite titanates
DOI:10.1103/PhysRevB.88.104110 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Roessle, M.;Wang, C. N.;Marsik, P.;Yazdi-Rizi, M.;Kim, K. W.;Dubroka, A.;Marozau, I.;Schneider, C. W.;Humlicek, J.;Baeriswyl, D.;Bernhard, C.;
7:3:57:6 Ferroelectric phase transition in strained multiferroic (Bi0.9La0.1)(2)NiMnO6 thin films
DOI:10.1063/1.3675869 JN:APPLIED PHYSICS LETTERS PY:2012 TC:2 AU: Langenberg, E.;Fina, I.;Gemeiner, P.;Dkhil, B.;Fabrega, L.;Varela, M.;Fontcuberta, J.;
7:3:57:7 Long-range order of Ni2+ and Mn4+ and ferromagnetism in multiferroic (Bi0.9La0.1)(2)NiMnO6 thin films
DOI:10.1063/1.3524278 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:5 AU: Langenberg, E.;Rebled, J.;Estrade, S.;Daumont, C. J. M.;Ventura, J.;Coy, L. E.;Polo, M. C.;Garcia-Cuenca, M. V.;Ferrater, C.;Noheda, B.;Peiro, F.;Varela, M.;Fontcuberta, J.;
7:3:57:8 First-principles study of the growth thermodynamics of Pt on SrTiO3 (001)
DOI:10.1116/1.4732461 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2012 TC:1 AU: Seo, Hosung;Posadas, Agham B.;Demkov, Alexander A.;
7:3:57:9 Spatially resolved twin domain distribution and lattice parameter variations in the near-surface region of SrTiO3 single crystals
DOI:10.1007/s00339-011-6674-8 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2012 TC:1 AU: Loetzsch, Robert;Uschmann, Ingo;Foerster, Eckhard;
7:3:58:1 Field-dependent anisotropic magnetoresistance and planar Hall effect in epitaxial magnetite thin films
DOI:10.1103/PhysRevB.84.094441 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Naftalis, N.;Kaplan, A.;Schultz, M.;Vaz, C. A. F.;Moyer, J. A.;Ahn, C. H.;Klein, L.;
7:3:58:2 Out of plane anisotropic magnetoresistance and planar Hall effect in epitaxial film of La0.8Sr0.2MnO3
DOI:10.1063/1.4863854 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Naftalis, Netanel;Haham, Noam;Hoffman, Jason;Marshall, Matthew S. J.;Ahn, C. H.;Klein, L.;
7:3:58:3 Fourfold symmetric anisotropic magnetoresistance based on magnetocrystalline anisotropy and antiphase boundaries in reactive sputtered epitaxial Fe3O4 films
DOI:10.1063/1.3334722 JN:APPLIED PHYSICS LETTERS PY:2010 TC:17 AU: Li, P.;Jiang, E. Y.;Bai, H. L.;
7:3:58:4 Origin of the twofold and fourfold symmetric anisotropic magnetoresistance in epitaxial Fe3O4 films
DOI:10.1063/1.3499696 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:14 AU: Li, P.;Jin, C.;Jiang, E. Y.;Bai, H. L.;
7:3:58:5 Giant planar Hall effect in reactive sputtered epitaxial CrxFe3-xO4 films
DOI:10.1063/1.4894697 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Li, P.;Cui, W. Y.;Jin, C.;Bai, H. L.;
7:3:58:6 Anisotropic spin-orbit interaction revealed by in-plane magnetoresistance in single-oriented SrRuO3 thin films
DOI:10.1103/PhysRevB.85.235409 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Gunnarsson, R.;
7:3:58:7 Response to "Comment on 'Fourfold symmetric anisotropic magnetoresistance based on magnetocrystalline anisotropy and antiphase boundaries in reactive sputtered epitaxial Fe3O4 films' " [Appl. Phys. Lett. 98, 146101 (2010)]
DOI:10.1063/1.3575516 JN:APPLIED PHYSICS LETTERS PY:2011 TC:0 AU: Li, P.;Jiang, E. Y.;Bai, H. L.;
7:3:58:8 Low-temperature anisotropic magnetoresistance and planar Hall effect in SrRuO3
DOI:10.1103/PhysRevB.87.144407 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Haham, Noam;Shperber, Yishai;Reiner, James W.;Klein, Lior;
7:3:58:9 Thickness dependence of the resistivity tensor in epitaxial magnetite thin films
DOI:10.1063/1.4816399 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Naftalis, N.;Shperber, Y.;Moyer, J. A.;Ahn, C. H.;Klein, L.;
7:3:58:10 Three-dimensional mapping of the anisotropic magnetoresistance in Fe3O4 single crystal thin films
DOI:10.1063/1.4796178 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:7 AU: Ding, Z.;Li, J. X.;Zhu, J.;Ma, T. P.;Won, C.;Wu, Y. Z.;
7:3:58:11 Anisotropic magnetoresistance in epitaxial La-0.67(Ca1-xSrx)(0.33)MnO3 films
DOI:10.1063/1.4798798 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Liu, Yiwei;Yang, Zhihuan;Yang, Huali;Xie, Yali;Katlakunta, Sadhana;Chen, Bin;Zhan, Qingfeng;Li, Run-Wei;
7:3:58:12 Field-controllable exchange bias in epitaxial Fe films grown on GaAs
DOI:10.1063/1.4754622 JN:APPLIED PHYSICS LETTERS PY:2012 TC:2 AU: Choi, Seonghoon;Yoo, Taehee;Khym, S.;Lee, Sanghoon;Liu, X.;Furdyna, J. K.;
7:3:58:13 Comment on "Fourfold symmetric anisotropic magnetoresistance based on magnetocrystalline anisotropy and antiphase boundaries in reactive sputtered epitaxial Fe3O4 films" [Appl. Phys. Lett. 96, 092502 (2010)]
DOI:10.1063/1.3575515 JN:APPLIED PHYSICS LETTERS PY:2011 TC:2 AU: Ziese, M.;
7:3:59:1 Band offsets of CuInSe2/CdS and CuInSe2/ZnS (110) interfaces: A hybrid density functional theory study
DOI:10.1103/PhysRevB.88.035305 JN:PHYSICAL REVIEW B PY:2013 TC:6 AU: Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;
7:3:59:2 First-principles study of valence band offsets at ZnSnP2/CdS, ZnSnP2/ZnS, and related chalcopyrite/zincblende heterointerfaces
DOI:10.1063/1.4816784 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Hinuma, Yoyo;Oba, Fumiyasu;Nose, Yoshitaro;Tanaka, Isao;
7:3:59:3 Functional Complex Point-Defect Structure in a Huge-Size-Mismatch System
DOI:10.1103/PhysRevLett.110.065504 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:10 AU: Ishikawa, Ryo;Shibata, Naoya;Oba, Fumiyasu;Taniguchi, Takashi;Findlay, Scott D.;Tanaka, Isao;Ikuhara, Yuichi;
7:3:59:4 Ionization potentials of (112) and (11(2)over-bar) facet surfaces of CuInSe2 and CuGaSe2
DOI:10.1103/PhysRevB.86.245433 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;
7:3:59:5 Origin of the failed ensemble average rule for the band gaps of disordered nonisovalent semiconductor alloys
DOI:10.1103/PhysRevB.90.115201 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Ma, Jie;Deng, Hui-Xiong;Luo, Jun-Wei;Wei, Su-Huai;
7:3:59:6 Absolute deformation potentials and robust ab initio model for band shifts induced by (001) biaxial strain in group IIIA-VA semiconductors
DOI:10.1063/1.3537815 JN:APPLIED PHYSICS LETTERS PY:2011 TC:7 AU: Kadantsev, Eugene S.;Hawrylak, Pawel;
7:3:59:7 Valence band offsets at zinc-blende heterointerfaces with misfit dislocations: A first-principles study
DOI:10.1103/PhysRevB.88.075319 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Hinuma, Yoyo;Oba, Fumiyasu;Tanaka, Isao;
7:3:59:8 Band gap of sphalerite and chalcopyrite phases of epitaxial ZnSnP2
DOI:10.1063/1.3442917 JN:APPLIED PHYSICS LETTERS PY:2010 TC:7 AU: St-Jean, P.;Seryogin, G. A.;Francoeur, S.;
7:3:59:9 Local environment of silicon in cubic boron nitride
DOI:10.1063/1.4849015 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Murata, Hidenobu;Taniguchi, Takashi;Hishita, Shunichi;Yamamoto, Tomoyuki;Oba, Fumiyasu;Tanaka, Isao;
7:3:60:1 Experimental evidence of ferroelectric negative capacitance in nanoscale heterostructures
DOI:10.1063/1.3634072 JN:APPLIED PHYSICS LETTERS PY:2011 TC:27 AU: Khan, Asif Islam;Bhowmik, Debanjan;Yu, Pu;Kim, Sung Joo;Pan, Xiaoqing;Ramesh, Ramamoorthy;Salahuddin, Sayeef;
7:3:60:2 Room-Temperature Negative Capacitance in a Ferroelectric Dielectric Super lattice Heterostructure
DOI:10.1021/n1502691u JN:NANO LETTERS PY:2014 TC:5 AU: Gao, Weiwei;Khan, Asif;Marti, Xavi;Nelson, Chris;Serrao, Claudy;Ravichandran, Jayakanth;Ramesh, Ramamoorthy;Salahuddin, Sayeef;
7:3:60:3 Experimental Observation of Negative Capacitance in Ferroelectrics at Room Temperature
DOI:10.1021/nl5017255 JN:NANO LETTERS PY:2014 TC:12 AU: Appleby, Daniel J. R.;Ponon, Nikhil K.;Kwa, Kelvin S. K.;Zou, Bin;Petrov, Peter K.;Wang, Tianle;Alford, Neil M.;O'Neill, Anthony;
7:3:60:4 Experimental confirmation of temperature dependent negative capacitance in ferroelectric field effect transistor
DOI:10.1063/1.4704179 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Salvatore, Giovanni A.;Rusu, Alexandru;Ionescu, Adrian M.;
7:3:60:5 Temperature effect on electrical characteristics of negative capacitance ferroelectric field-effect transistors
DOI:10.1063/1.3688046 JN:APPLIED PHYSICS LETTERS PY:2012 TC:0 AU: Xiao, Y. G.;Tang, M. H.;Li, J. C.;Cheng, C. P.;Jiang, B.;Cai, H. Q.;Tang, Z. H.;Lv, X. S.;Gu, X. C.;
7:3:60:6 Effective Nanometer Airgap of NEMS Devices Using Negative Capacitance of Ferroelectric Materials
DOI:10.1021/nl5004416 JN:NANO LETTERS PY:2014 TC:6 AU: Masuduzzaman, Muhammad;Alam, Muhammad Ashraful;
7:3:60:7 Ferroelectric properties in thin film barium titanate grown using pulsed laser deposition
DOI:10.1063/1.4895050 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Appleby, Daniel J. R.;Ponon, Nikhil K.;Kwa, Kelvin S. K.;Ganti, Srinivas;Hannemann, Ullrich;Petrov, Peter K.;Alford, Neil M.;O'Neill, Anthony;
7:3:60:8 Multidomain ferroelectricity as a limiting factor for voltage amplification in ferroelectric field-effect transistors
DOI:10.1063/1.3494533 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Cano, A.;Jimenez, D.;
7:3:60:9 Examination of the Possibility of Negative Capacitance Using Ferroelectric Materials in Solid State Electronic Devices
DOI:10.1021/nl1037215 JN:NANO LETTERS PY:2011 TC:10 AU: Krowne, C. M.;Kirchoefer, S. W.;Chang, W.;Pond, J. M.;Alldredge, L. M. B.;
7:3:60:10 Negative Capacitance in Organic/Ferroelectric Capacitor to Implement Steep Switching MOS Devices
DOI:10.1021/acs.nanolett.5b01130 JN:NANO LETTERS PY:2015 TC:0 AU: Jo, Jaesung;Choi, Woo Young;Park, Jung-Dong;Shim, Jae Won;Yu, Hyun-Yong;Shin, Changhwan;
7:3:60:11 Simulation of electrical characteristics in negative capacitance surrounding-gate ferroelectric field-effect transistors
DOI:10.1063/1.4772982 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Xiao, Y. G.;Chen, Z. J.;Tang, M. H.;Tang, Z. H.;Yan, S. A.;Li, J. C.;Gu, X. C.;Zhou, Y. C.;Ouyang, X. P.;
7:3:60:12 Ferroelectric transistors with improved characteristics at high temperature
DOI:10.1063/1.3467471 JN:APPLIED PHYSICS LETTERS PY:2010 TC:2 AU: Salvatore, Giovanni A.;Lattanzio, Livio;Bouvet, Didier;Stolichnov, Igor;Setter, Nava;Ionescu, Adrian M.;
7:3:60:13 Experimental evidence of ferroelectric negative capacitance in nanoscale heterostructures (vol 99, 113501, 2011)
DOI:10.1063/1.3675884 JN:APPLIED PHYSICS LETTERS PY:2012 TC:0 AU: Khan, Asif Islam;Bhowmik, Debanjan;Yu, Pu;Kim, Sung Joo;Pan, Xiaoqing;Ramesh, Ramamoorthy;Salahuddin, Sayeef;
7:3:61:1 Enhanced ferromagnetic and metal insulator transition in Sm0.55Sr0.45MnO3 thin films: Role of oxygen vacancy induced quenched disorder
DOI:10.1063/1.3505327 JN:APPLIED PHYSICS LETTERS PY:2010 TC:13 AU: Srivastava, M. K.;Siwach, P. K.;Kaur, A.;Singh, H. K.;
7:3:61:2 Comparative study of magnetic and magnetotransport properties of Sm0.55Sr0.45MnO3 thin films grown on different substrates
DOI:10.1063/1.4805077 JN:AIP ADVANCES PY:2013 TC:3 AU: Srivastava, Manoj K.;Singh, Sandeep;Siwach, P. K.;Kaur, Amarjeet;Awana, V. P. S.;Maurya, K. K.;Singh, H. K.;
7:3:61:3 Evidence of substrate induced charge order quenching, insulator metal transition, and colossal magnetoresistance in polycrystalline Pr0.58Ca0.42MnO3 thin films
DOI:10.1063/1.3302455 JN:APPLIED PHYSICS LETTERS PY:2010 TC:11 AU: Agarwal, Vasudha;Prasad, R.;Singh, M. P.;Siwach, P. K.;Srivastava, Amit;Fournier, P.;Singh, H. K.;
7:3:61:4 Impact of strain on metamagnetic transitions in Sm0.5Sr0.5MnO3 thin films
DOI:10.1063/1.4788745 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Srivastava, M. K.;Kaur, A.;Maurya, K. K.;Awana, V. P. S.;Singh, H. K.;
7:3:61:5 Supercooling transition in phase separated manganite thin films: An electrical transport study
DOI:10.1063/1.4880725 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Singh, Sandeep;Kumar, Pawan;Siwach, P. K.;Tyagi, Pawan Kumar;Singh, H. K.;
7:3:61:6 Correlation of the temperature coefficient of resistivity for doped manganites to the transition temperature, polaron binding energy, and magnetic order
DOI:10.1063/1.4724214 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Wang, L. M.;Wang, Chih-Yi;Tseng, Chun-Chin;
7:3:61:7 Remarkable current-enhanced photoconductivity in oxygen-deficient La7/8Sr1/8MnO3-delta thin film
DOI:10.1063/1.4739842 JN:APPLIED PHYSICS LETTERS PY:2012 TC:5 AU: Hu, L.;Sheng, Z. G.;Huang, Y. N.;Song, W. H.;Sun, Y. P.;
7:3:61:8 Strain, spin disorder, and thickness dependence of magneto-transport in Sm0.55Sr0.45MnO3 films
DOI:10.1063/1.4728988 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Saber, M. M.;Egilmez, M.;Schoofs, F.;Ofer, O.;Mansson, M.;Robinson, J. W. A.;Blamire, M.;Chow, K. H.;Jung, J.;
7:3:61:9 The importance of strain on spin-spin coupling in Pr5/8Ca3/8MnO3 single crystal film
DOI:10.1063/1.4729835 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Fu, Xinwen;Gao, Yuze;Wu, Zhiwei;Zhang, Jincang;Li, Qing;Cao, Guixin;
7:3:61:10 Ultrafast phase separation dynamics in La0.875Sr0.125MnO3 single crystals
DOI:10.1103/PhysRevB.83.113103 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Mertelj, T.;Mamin, R.;Yusupov, R.;Mihailovic, D.;
7:3:61:11 Effect of thickness on magnetic phase coexistence and electrical transport in Nd0.51Sr0.49MnO3 films
DOI:10.1007/s00339-010-5595-2 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:5 AU: Prasad, R.;Singh, M. P.;Siwach, P. K.;Kaur, A.;Fournier, P.;Singh, H. K.;
7:3:61:12 Morphology and magneto-transport properties of electron doped La0.85Te0.15MnO3 thin film deposited on LaAlO3 substrate
DOI:10.1016/j.materresbull.2014.05.022 JN:MATERIALS RESEARCH BULLETIN PY:2014 TC:1 AU: Bhat, Irshad;Husain, Shahid;Patil, S. I.;
7:3:61:13 Magnetic properties of pseudomorphic epitaxial films of Pr0.7Ca0.3MnO3 under different biaxial tensile stresses
DOI:10.1103/PhysRevB.82.014415 JN:PHYSICAL REVIEW B PY:2010 TC:4 AU: Lehmann, A. Geddo;Congiu, F.;Lampis, N.;Granozio, F. Miletto;Perna, P.;Radovic, M.;di Uccio, U. Scotti;
7:3:61:14 Magnetodielectric Effect in Relaxor Ceramic Pb(In0.5Nb0.5)O-3
DOI:10.1080/00150193.2013.786315 JN:FERROELECTRICS PY:2013 TC:0 AU: Gridnev, S. A.;Voskoboinik, M. Yu.;Raevski, I. P.;
7:3:61:15 Out-of-plane low field anisotropic magnetoresistance in Nd0.51Sr0.49MnO3 thin films
DOI:10.1016/j.jmmm.2011.05.032 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:0 AU: Kumar, Pawan;Prasad, R.;Dwivedi, R. K.;Singh, H. K.;
7:3:62:1 Orbital order in La0.5Sr1.5MnO4: Beyond a common local Jahn-Teller picture
DOI:10.1103/PhysRevB.84.155126 JN:PHYSICAL REVIEW B PY:2011 TC:13 AU: Wu, Hua;Chang, C. F.;Schumann, O.;Hu, Z.;Cezar, J. C.;Burnus, T.;Hollmann, N.;Brookes, N. B.;Tanaka, A.;Braden, M.;Tjeng, L. H.;Khomskii, D. I.;
7:3:62:2 The electronic and magnetic properties of La0.85Zr0.15MnO3 deposited on SrTiO3 and MgO substrates
DOI:10.1063/1.4884230 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Deshpande, N. G.;Weng, C. H.;Wang, Y. F.;Shao, Y. C.;Cheng, C. Q.;Ling, D. C.;Hsueh, H. C.;Du, C. H.;Tsai, H. M.;Pao, C. W.;Lin, H. J.;Lee, J. F.;Chiou, J. W.;Tsai, M. H.;Pong, W. F.;
7:3:62:3 Magnetic properties and orbital anisotropy driven by Mn2+ in nonstoichiometric LaxMnO3-delta thin films
DOI:10.1103/PhysRevB.83.064418 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Galdi, A.;Aruta, C.;Orgiani, P.;Brookes, N. B.;Ghiringhelli, G.;Moretti Sala, M.;Mangalam, R. V. K.;Prellier, W.;Lueders, U.;Maritato, L.;
7:3:62:4 Off-stoichiometry effect on orbital order in A-site manganites probed by x-ray absorption spectroscopy
DOI:10.1103/PhysRevB.86.115132 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Aruta, C.;Minola, M.;Galdi, A.;Ciancio, R.;Petrov, A. Yu;Brookes, N. B.;Ghiringhelli, G.;Maritato, L.;Orgiani, P.;
7:3:62:5 Multiple double-exchange mechanism by Mn2+ doping in manganite compounds
DOI:10.1103/PhysRevB.82.205122 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Orgiani, P.;Galdi, A.;Aruta, C.;Cataudella, V.;De Filippis, G.;Perroni, C. A.;Ramaglia, V. Marigliano;Ciancio, R.;Brookes, N. B.;Moretti Sala, M.;Ghiringhelli, G.;Maritato, L.;
7:3:62:6 Relationship between orbital structure and lattice distortions in Jahn-Teller systems
DOI:10.1103/PhysRevB.83.205123 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Sboychakov, A. O.;Kugel, K. I.;Rakhmanov, A. L.;Khomskii, D. I.;
7:3:62:7 Synthesis and properties of highly metallic orbital-ordered A-site manganites
DOI:10.1007/s11051-013-1655-9 JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2013 TC:0 AU: Orgiani, Pasquale;Aruta, Carmela;Ciancio, Regina;Galdi, Alice;Maritato, Luigi;
7:3:62:8 Orbital ordering in La0.5Sr1.5MnO4: Density functional and exact diagonalization studies
DOI:10.1103/PhysRevB.87.235137 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Shanavas, K. V.;Satpathy, S.;
7:3:63:1 Epitaxy, strain, and composition effects on metal-insulator transition characteristics of SmNiO3 thin films
DOI:10.1063/1.3598055 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:16 AU: Aydogdu, Gulgun H.;Ha, Sieu D.;Viswanath, B.;Ramanathan, Shriram;
7:3:63:2 Metal-insulator transition and electrically driven memristive characteristics of SmNiO3 thin films
DOI:10.1063/1.3536486 JN:APPLIED PHYSICS LETTERS PY:2011 TC:14 AU: Ha, Sieu D.;Aydogdu, Gulgun H.;Ramanathan, Shriram;
7:3:63:3 Local charge writing in epitaxial SmNiO3 thin films
DOI:10.1039/c4tc00030g JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2014 TC:0 AU: Yan, Feng;Schoofs, Frank;Shi, Jian;Ha, Sieu D.;Jaramillo, R.;Ramanathan, Shriram;
7:3:63:4 Examination of insulator regime conduction mechanisms in epitaxial and polycrystalline SmNiO3 thin films
DOI:10.1063/1.3658263 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Ha, Sieu D.;Aydogdu, Gulgun H.;Ramanathan, Shriram;
7:3:63:5 Residual ferroelectricity in barium strontium titanate thin film tunable dielectrics
DOI:10.1063/1.4891717 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:6 AU: Garten, L. M.;Lam, P.;Harris, D.;Maria, J-P.;Trolier-McKinstry, S.;
7:3:63:6 Space charge polarization induced memory in SmNiO3/Si transistors
DOI:10.1063/1.4790394 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Lee, Sang Hyeon;Kim, Moonkyung;Ha, Sieu D.;Lee, Jo-Won;Ramanathan, Shriram;Tiwari, Sandip;
7:3:63:7 In situ stress relaxation and diffraction studies across the metal-insulator transition in epitaxial and polycrystalline SmNiO3 thin films
DOI:10.1016/j.scriptamat.2011.12.018 JN:SCRIPTA MATERIALIA PY:2012 TC:1 AU: Viswanath, B.;Aydogdu, G. H.;Ha, S. D.;Ramanathan, S.;
7:3:63:8 Dielectric model of point charge defects in insulating paraelectric perovskites
DOI:10.1063/1.3660376 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Buniatian, V.;Martirosyan, N.;Vorobiev, A.;Gevorgian, S.;
7:3:63:9 Electrical and Fourier transform infrared properties of epitaxial SmNiO3 tensile strained thin film
DOI:10.1063/1.4748982 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Torriss, Badr;Chaker, Mohamed;Margot, Joelle;
7:3:64:1 Persistent two-dimensional growth of (110) manganite films
DOI:10.1063/1.3490713 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Bachelet, R.;Pesquera, D.;Herranz, G.;Sanchez, F.;Fontcuberta, J.;
7:3:64:2 Misfit dislocations of anisotropic magnetoresistant Nd0.45Sr0.55MnO3 thin films grown on SrTiO3 (110) substrates
DOI:10.1016/j.actamat.2012.06.031 JN:ACTA MATERIALIA PY:2012 TC:1 AU: Tang, Y. L.;Zhu, Y. L.;Meng, H.;Zhang, Y. Q.;Ma, X. L.;
7:3:64:3 Interplay between crystallographic orientation and electric transport properties in La2/3Sr1/3MnO3 films
DOI:10.1063/1.3339872 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Tebano, A.;Orsini, A.;Di Castro, D.;Medaglia, P. G.;Balestrino, G.;
7:3:64:4 Nanostructured Nd0.45Sr0.55MnO3 films grown on SrTiO3(110)
DOI:10.1557/jmr.2012.416 JN:JOURNAL OF MATERIALS RESEARCH PY:2013 TC:1 AU: Tang, Yunlong;Zhu, Yinlian;Zhang, Yuqin;Zhang, Zhidong;Ma, Xiuliang;
7:3:64:5 Structural and microstructural analyses of crystalline Er2O3 high-k films grown on Si (001) by laser molecular beam epitaxy
DOI:10.1016/j.actamat.2010.11.031 JN:ACTA MATERIALIA PY:2011 TC:6 AU: Wang, X.;Zhu, Y. L.;He, M.;Lu, H. B.;Ma, X. L.;
7:3:64:6 Spin-polarized tunneling spectroscopic studies of the intrinsic heterogeneity and pseudogap phenomena in colossal magnetoresistive manganite La0.7Ca0.3MnO3
DOI:10.1103/PhysRevB.82.134441 JN:PHYSICAL REVIEW B PY:2010 TC:2 AU: Hughes, C. R.;Shi, J.;Beyer, A. D.;Yeh, N. -C.;
7:3:64:7 Half-metallic interface with stronger ferromagnetism in (110)-oriented LaxSr1-xMnO3/SrTiO3 ultrathin superlattices
DOI:10.1063/1.3594241 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:0 AU: Zhu, Y.;Shi, D. N.;Du, C. L.;Shi, Y. G.;Ma, C. L.;Gong, S. J.;Zhang, K. C.;Yang, Z. Q.;
7:3:64:8 Microstructural evolution of [PbZrxTi1-xO3/PbZryTi1-yO3](n) epitaxial multilayers (x/y=0.2/0.4, 0.4/0.6) - dependence on layer thickness
DOI:10.1080/14786430903352656 JN:PHILOSOPHICAL MAGAZINE PY:2010 TC:3 AU: Zhu, Y. L.;Zheng, S. J.;Ma, X. L.;Feigl, L.;Alexe, M.;Hesse, D.;Vrejoiu, I.;
7:3:64:9 Annealing effects on a high-k lanthanum oxide film on Si (001) analyzed by aberration-corrected transmission electron microscopy/scanning transmission electron microscopy and electron energy loss spectroscopy
DOI:10.1063/1.3445874 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:5 AU: Inamoto, S.;Yamasaki, J.;Okunishi, E.;Kakushima, K.;Iwai, H.;Tanaka, N.;
7:3:64:10 Electronic picture of spin-polarized tunneling with a Cr tip
DOI:10.1016/j.jmmm.2009.09.041 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:5 AU: Czerner, Michael;Rodary, Guillemin;Wedekind, Sebastian;Fedorov, Dmitry V.;Sander, Dirk;Mertig, Ingrid;Kirschner, Juergen;
7:3:64:11 Interfacial Structure of Erbium Oxide Layer on SUS316 Substrate Formed by MOCVD Method
DOI:10.2320/matertrans.M2014287 JN:MATERIALS TRANSACTIONS PY:2014 TC:0 AU: Shinkawa, Takayuki;Matsuda, Kenji;Hishinuma, Yoshimitsu;Nishimura, Katsuhiko;Tanaka, Teruya;Muroga, Takeo;Sato, Takahiro;
7:3:65:1 Intrinsic and precipitate-induced quantum corrections to conductivity in La2/3Sr1/3MnO3 thin films
DOI:10.1103/PhysRevB.85.195128 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Gao, Yuze;Cao, Guixin;Zhang, Jincang;Habermeier, Hanns-Ulrich;
7:3:65:2 Effects of ferroelectric-poling-induced strain on the quantum correction to low-temperature resistivity of manganite thin films
DOI:10.1103/PhysRevB.82.104418 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Jia, R. R.;Zhang, J. C.;Zheng, R. K.;Deng, D. M.;Habermeier, H-U;Chan, H. L. W.;Luo, H. S.;Cao, S. X.;
7:3:65:3 Phase diagram and spin-glass phenomena in electron-doped La1-xHfxMnO3 (0.05 <= x <= 0.3) manganite oxides
DOI:10.1063/1.3666056 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:7 AU: Guo, E. J.;Wang, L.;Wu, Z. P.;Wang, L.;Lu, H. B.;Jin, K. J.;Gao, J.;
7:3:65:4 The oxygen vacancy effect on the magnetic property of the LaMnO3-delta thin films
DOI:10.1063/1.4798550 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Zhao, Ruiqiang;Jin, Kuijuan;Xu, Zhongtang;Guo, Haizhong;Wang, Le;Ge, Chen;Lu, Huibin;Yang, Guozhen;
7:3:65:5 Magnetic field mediated low-temperature resistivity upturn in electron-doped La1-xHfxMnO3 manganite oxides
DOI:10.1063/1.4770320 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Guo, E. J.;Wang, L.;Wu, Z. P.;Wang, L.;Lu, H. B.;Jin, K. J.;Gao, J.;
7:3:65:6 Comment on "Magnetic field mediated low-temperature resistivity upturn in electron-doped La1-xHfxMnO3 manganite oxides" [J. Appl. Phys. 112, 123710 (2012)]
DOI:10.1063/1.4862539 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Rozenberg, E.;
7:3:65:7 Materials News: Interfacial chemistry and atomic arrangement of ZrO2-La2/3Sr1/3MnO3 pillar-matrix structures
DOI:10.1063/1.4904819 JN:APL MATERIALS PY:2014 TC:1 AU: Zhou, Dan;Sigle, Wilfried;Okunishi, Eiji;Wang, Yi;Kelsch, Marion;Habermeier, Hanns-Ulrich;van Aken, Peter A.;
7:3:65:8 Optimization on photoelectric detection based on stacked La0.9Sr0.1MnO3-delta/LaAlO3-delta multijunctions
DOI:10.1063/1.3621143 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Xing, Jie;Hao, Hui Ying;Guo, Er Jia;Yang, Fang;
7:3:65:9 Water-induced two-dimensional Kondo-like scattering in Na0.23CoO2 single crystals
DOI:10.1063/1.4772620 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Cao, Guixin;Gao, Yuze;Zhang, Jincang;Lin, Chengtian;
7:3:65:10 Anomalous In-Plane Electronic Scattering in Charge Ordered Na0.41CoO2 center dot 0.6H(2)O
DOI:10.1103/PhysRevLett.108.236401 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:4 AU: Cao, Guixin;Korshunov, Maxim M.;Gao, Yuze;Le Tacon, Mathieu;Singh, David J.;Lin, Chengtian;
7:3:65:11 Effects of lattice deformation on magnetic properties of electron-doped La0.8Hf0.2MnO3 thin films
DOI:10.1063/1.4801336 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Wu, Z. P.;Jiang, Y. C.;Gao, J.;
7:3:65:12 Quantum Hall Ferromagnetism in the Presence of Tunable Disorder
DOI:10.1103/PhysRevLett.106.156806 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:1 AU: Pan, W.;Reno, J. L.;Li, D.;Brueck, S. R. J.;
7:3:66:1 Electrostatic stability of insulating surfaces: Theory and applications
DOI:10.1103/PhysRevB.84.205432 JN:PHYSICAL REVIEW B PY:2011 TC:20 AU: Stengel, Massimiliano;
7:3:66:2 Lattice screening of the polar catastrophe and hidden in-plane polarization in KNbO3/BaTiO3 interfaces
DOI:10.1103/PhysRevB.87.085305 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Garcia-Fernandez, Pablo;Aguado-Puente, Pablo;Junquera, Javier;
7:3:66:3 Chemistry of Ferroelectric Surfaces
DOI:10.1002/adma.200903723 JN:ADVANCED MATERIALS PY:2010 TC:17 AU: Garrity, K.;Kolpak, A. M.;Ismail-Beigi, S.;Altman, E. I.;
7:3:66:4 Ferroelectric surface chemistry: First-principles study of the PbTiO3 surface
DOI:10.1103/PhysRevB.88.045401 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Garrity, Kevin;Kakekhani, Arvin;Kolpak, Alexie;Ismail-Beigi, Sohrab;
7:3:66:5 Domain structures of ferroelectric thin film controlled by oxidizing atmosphere
DOI:10.1063/1.3646387 JN:APPLIED PHYSICS LETTERS PY:2011 TC:3 AU: Ma, D. C.;Zheng, Yue;Wang, Biao;Woo, C. H.;
7:3:66:6 Strain-Induced High Polarization of a KNbO3 Thin Film on a Single Crystalline Rh Substrate
DOI:10.1111/j.1551-2916.2012.05349.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:3 AU: Lee, Geunhee;Shin, Young-Han;Son, Jong Yeog;
7:3:66:7 Ab Initio Calculations of the Atomic and Electronic Structure of SrZrO3 (111) Surfaces
DOI:10.1080/10584587.2012.731341 JN:FERROELECTRICS PY:2012 TC:2 AU: Eglitis, R. I.;
7:3:67:1 Oxygen Control of Atomic Structure and Physical Properties of SrRuO3 Surfaces
DOI:10.1021/nn400923n JN:ACS NANO PY:2013 TC:7 AU: Tselev, Alexander;Ganesh, P.;Qiao, Liang;Siemons, Wolter;Gai, Zheng;Biegalski, Michael D.;Baddorf, Arthur P.;Kalinin, Sergei V.;
7:3:67:2 Oxygen-Induced Surface Reconstruction of SrRuO3 and Its Effect on the BaTiO3 Interface
DOI:10.1021/nn1008337 JN:ACS NANO PY:2010 TC:20 AU: Shin, Junsoo;Borisevich, Albina Y.;Meunier, Vincent;Zhou, Jing;Plummer, E. Ward;Kalinin, Sergei V.;Baddorf, Arthur P.;
7:3:67:3 Coexistence of epitaxial lattice rotation and twinning tilt induced by surface symmetry mismatch
DOI:10.1063/1.4881612 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Qiao, L.;Xiao, H. Y.;Weber, W. J.;Biegalski, M. D.;
7:3:67:4 High Chemical Activity of a Perovskite Surface: Reaction of CO with Sr3Ru2O7
DOI:10.1103/PhysRevLett.113.116101 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:1 AU: Stoeger, Bernhard;Hieckel, Marcel;Mittendorfer, Florian;Wang, Zhiming;Fobes, David;Peng, Jin;Mao, Zhiqiang;Schmid, Michael;Redinger, Josef;Diebold, Ulrike;
7:3:67:5 Effects of Reaction Medium on the Phase Synthesis and Particle Size Evolution of BaTiO3
DOI:10.1111/j.1551-2916.2010.03827.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:9 AU: Stawski, Tomasz M.;Veldhuis, Sjoerd A.;Gobel, Ole F.;ten Elshof, Johan E.;Blank, Dave H. A.;
7:3:67:6 Surface and bulk structural properties of single-crystalline Sr3Ru2O7
DOI:10.1103/PhysRevB.81.184104 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Hu, Biao;McCandless, Gregory T.;Menard, Melissa;Nascimento, V. B.;Chan, Julia Y.;Plummer, E. W.;Jin, R.;
7:3:67:7 Influence of high temperature processing of sol-gel derived barium titanate thin films deposited on platinum and strontium ruthenate coated silicon wafers
DOI:10.1016/j.tsf.2012.02.029 JN:THIN SOLID FILMS PY:2012 TC:4 AU: Stawski, Tomasz M.;Vijselaar, Wouter J. C.;Gobel, Ole F.;Veldhuis, Sjoerd A.;Smith, Brian F.;Blank, Dave H. A.;ten Elshof, Johan E.;
7:3:67:8 Hysteretic Internal Electric Fields and Polarization Reversal in Ferroelectric Superlattices
DOI:10.1080/00150193.2013.838919 JN:FERROELECTRICS PY:2013 TC:0 AU: Lim, Kok-Geng;Chew, Khian-Hooi;Ong, Lye-Hock;
7:3:67:9 Oxygen Control of Atomic Structure and Physical Properties of SrRuO3 Surfaces (vol 7, pg 4403, 2013)
DOI:10.1021/nn405455p JN:ACS NANO PY:2013 TC:0 AU: Tselev, Alexander;Ganesh, P.;Qiao, Liang;Siemons, Wolter;Gai, Zheng;Biegalski, Michael D.;Baddorf, Arthur P.;Kalinin, Sergei V.;
7:3:67:10 Electron microscopy study of intragranular nanoporosity and the occurrence of local structural disorder in cubic BaTiO3 nanopowders from alkoxide-hydroxide precipitation process
DOI:10.1016/j.ceramint.2012.05.017 JN:CERAMICS INTERNATIONAL PY:2012 TC:1 AU: Stawski, Tomasz M.;Veldhuis, Sjoerd A.;Gobel, Ole F.;Podstawka-Proniewicz, Edyta;ten Elshof, Johan E.;
7:3:68:1 Common Fermi-liquid origin of T-2 resistivity and superconductivity in n-type SrTiO3
DOI:10.1103/PhysRevB.84.205111 JN:PHYSICAL REVIEW B PY:2011 TC:22 AU: van der Marel, D.;van Mechelen, J. L. M.;Mazin, I. I.;
7:3:68:2 Role of localized electrons in electron-hole interaction: The case of SrTiO3
DOI:10.1103/PhysRevB.87.235102 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Sponza, Lorenzo;Veniard, Valerie;Sottile, Francesco;Giorgetti, Christine;Reining, Lucia;
7:3:68:3 Many-body large polaron optical conductivity in SrTi1-xNbxO3
DOI:10.1103/PhysRevB.81.125119 JN:PHYSICAL REVIEW B PY:2010 TC:16 AU: Devreese, J. T.;Klimin, S. N.;van Mechelen, J. L. M.;van der Marel, D.;
7:3:68:4 Interface superconductivity in LaAlO3-SrTiO3 heterostructures
DOI:10.1103/PhysRevB.89.184514 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Klimin, S. N.;Tempere, J.;Devreese, J. T.;van der Marel, D.;
7:3:68:5 Microscopic mechanisms for the Fermi-liquid behavior of Nb-doped strontium titanate
DOI:10.1103/PhysRevB.86.045113 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Klimin, S. N.;Tempere, J.;van der Marel, D.;Devreese, J. T.;
7:3:68:6 Direct observation of the spatial and temporal dynamics of polaron diffusion in SrTiO3
DOI:10.1103/PhysRevB.87.214301 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Kohmoto, T.;Ikeda, D.;Liang, X.;Moriyasu, T.;
7:3:69:1 Band-to-band photoluminescence in SrTiO3
DOI:10.1103/PhysRevB.82.121103 JN:PHYSICAL REVIEW B PY:2010 TC:21 AU: Yamada, Yasuhiro;Kanemitsu, Yoshihiko;
7:3:69:2 Oxygen vacancy induced photoluminescence and ferromagnetism in SrTiO3 thin films by molecular beam epitaxy
DOI:10.1063/1.4825257 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Xu, Wenfei;Yang, Jing;Bai, Wei;Tang, Kai;Zhang, Yuanyuan;Tang, Xiaodong;
7:3:69:3 Evidence of oxygen-vacancy-induced ferromagnetic order in single crystal Mn-doped SrTiO3
DOI:10.1063/1.4738785 JN:APPLIED PHYSICS LETTERS PY:2012 TC:8 AU: Middey, Srimanta;Meneghini, Carlo;Ray, Sugata;
7:3:69:4 Blue photoluminescence and Auger recombination of carriers in SrTiO3 nanoparticles
DOI:10.1063/1.3626594 JN:APPLIED PHYSICS LETTERS PY:2011 TC:2 AU: Yamada, Yasuhiro;Suzuki, Keigo;Kanemitsu, Yoshihiko;
7:3:69:5 Origin of magnetism in La and Fe doped SrTiO3-delta films
DOI:10.1063/1.3525707 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:9 AU: Egilmez, M.;Leung, G. W.;Hakimi, A. M. H. R.;Blamire, M. G.;
7:3:69:6 Blue light emission from strongly photoexcited and electron-doped SrTiO3
DOI:10.1063/1.3577613 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Yamada, Yasuhiro;Kanemitsu, Yoshihiko;
7:3:69:7 Band-edge luminescence from SrTiO3: No polaron effect
DOI:10.1016/j.tsf.2011.06.087 JN:THIN SOLID FILMS PY:2012 TC:3 AU: Yamada, Yasuhiro;Kanemitsu, Yoshihiko;
7:3:70:1 Si-compatible candidates for high-kappa dielectrics with the Pbnm perovskite structure
DOI:10.1103/PhysRevB.82.064101 JN:PHYSICAL REVIEW B PY:2010 TC:20 AU: Coh, Sinisa;Heeg, Tassilo;Haeni, J. H.;Biegalski, M. D.;Lettieri, J.;Edge, L. F.;O'Brien, K. E.;Bernhagen, M.;Reiche, P.;Uecker, R.;Trolier-McKinstry, S.;Schlom, Darrell G.;Vanderbilt, David;
7:3:70:2 Terahertz-infrared spectra of the rare-earth scandate DyScO3 single crystal
DOI:10.1063/1.4813496 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Komandin, G. A.;Zhukova, E. S.;Torgashev, V. I.;Boris, A. V.;Boris, A. A.;Motovilova, E. A.;Prokhorov, A. S.;Kadyrov, L. S.;Gorshunov, B. P.;Dressel, M.;
7:3:70:3 Tunable electronic transport properties of DyScO3/SrTiO3 polar heterointerface
DOI:10.1063/1.3570694 JN:APPLIED PHYSICS LETTERS PY:2011 TC:7 AU: Li, D. F.;Wang, Yan;Dai, J. Y.;
7:3:70:4 Band-gap variation in RScO3 (R = Pr, Nd, Sm, Eu, Gd, Tb, and Dy): X-ray absorption and O K-edge x-ray emission spectroscopies
DOI:10.1103/PhysRevB.86.155124 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Derks, C.;Kuepper, K.;Raekers, M.;Postnikov, A. V.;Uecker, R.;Yang, W. L.;Neumann, M.;
7:3:70:5 First-principles study of intermixing and polarization at the DyScO3/SrTiO3 interface
DOI:10.1103/PhysRevB.85.075314 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Rahmanizadeh, K.;Bihlmayer, G.;Luysberg, M.;Bluegel, S.;
7:3:70:6 Infrared spectroscopy of an epitaxial BaTiO3/SrTiO3 superlattice grown on a (110) SmScO3 substrate
DOI:10.1063/1.4875877 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Zelezny, V.;Soukiassian, A.;Schlom, D. G.;Xi, X. X.;
7:3:70:7 Evidence of Substrate-Induced Ferroelectric Phase Transition in SrTiO3 by Means of Thermal Measurements
DOI:10.1080/00150193.2010.484741 JN:FERROELECTRICS PY:2010 TC:2 AU: Davitadze, S.;Shnaidshtein, I.;Fadeev, A.;Strukov, B.;Shulman, S.;Noheda, B.;Vlooswijk, A. H. G.;
7:3:70:8 Electronic Structure of Rare-Earth Scandates from X-Ray Spectroscopy and First-Principles Calculations
DOI:10.1080/00150193.2012.743833 JN:FERROELECTRICS PY:2012 TC:0 AU: Postnikov, A. V.;Derks, C.;Kuepper, K.;Neumann, M.;
7:3:70:9 The role of B-site cations on proton conductivity in double perovskite oxides La2MgTiO6 and La(2)MgrO(6)
DOI:10.1016/j.ijhydene.2011.11.145 JN:INTERNATIONAL JOURNAL OF HYDROGEN ENERGY PY:2012 TC:0 AU: Vigen, Camilla K.;Bjorheim, Tor Svendsen;Haugsrud, Reidar;
7:3:71:1 Mapping electronic reconstruction at the metal-insulator interface in LaVO3/SrVO3 heterostructures
DOI:10.1103/PhysRevB.88.155123 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Tan, Haiyan;Egoavil, Ricardo;Beche, Armand;Martinez, Gerardo T.;Van Aert, Sandra;Verbeeck, Jo;Van Tendeloo, Gustaaf;Rotella, Helene;Boullay, Philippe;Pautrat, Alain;Prellier, Wilfrid;
7:3:71:2 Optical spectroscopy of the carrier dynamics in LaVO3/SrVO3 superlattices
DOI:10.1103/PhysRevB.84.115132 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Jeong, D. W.;Choi, Woo Seok;Kang, T. D.;Sohn, C. H.;David, A.;Rotella, H.;Sirenko, A. A.;Lee, Cheol Hyeok;Kim, Jae H.;Lueders, U.;Prellier, W.;Kim, Y. -J.;Lee, Yun Sang;Noh, T. W.;
7:3:71:3 Microstructure and interface studies of LaVO3/SrVO3 superlattices
DOI:10.1103/PhysRevB.83.125403 JN:PHYSICAL REVIEW B PY:2011 TC:10 AU: Boullay, P.;David, A.;Sheets, W. C.;Lueders, U.;Prellier, W.;Tan, H.;Verbeeck, J.;Van Tendeloo, G.;Gatel, C.;Vincze, G.;Radi, Z.;
7:3:71:4 Structural transition in LaVO3/SrVO3 superlattices and its influence on transport properties
DOI:10.1063/1.3593489 JN:APPLIED PHYSICS LETTERS PY:2011 TC:6 AU: David, A.;Fresard, R.;Boullay, Ph.;Prellier, W.;Lueders, U.;Janolin, P. -E.;
7:3:71:5 Microstructural analysis of interfaces in a ferromagnetic-multiferroic epitaxial heterostructure
DOI:10.1063/1.3531992 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Krishnan, P. S. Sankara Rama;Arredondo, Miryam;Saunders, Martin;Ramasse, Q. M.;Valanoor, Nagarajan;Munroe, Paul;
7:3:71:6 Presence and spatial distribution of interfacial electronic states in LaMnO3-SrMnO3 superlattices
DOI:10.1103/PhysRevB.82.115112 JN:PHYSICAL REVIEW B PY:2010 TC:13 AU: Shah, A. B.;Ramasse, Q. M.;May, S. J.;Kavich, Jerald;Wen, J. G.;Zhai, X.;Eckstein, J. N.;Freeland, J.;Bhattacharya, A.;Zuo, J. M.;
7:3:72:1 Vacancy clusters at domain boundaries and band bending at the SrTiO3(110) surface
DOI:10.1103/PhysRevB.90.035436 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Wang, Zhiming;Hao, Xianfeng;Gerhold, Stefan;Schmid, Michael;Franchini, Cesare;Diebold, Ulrike;
7:3:72:2 Evolution of the surface structures on SrTiO3(110) tuned by Ti or Sr concentration
DOI:10.1103/PhysRevB.83.155453 JN:PHYSICAL REVIEW B PY:2011 TC:17 AU: Wang, Zhiming;Yang, Fang;Zhang, Zhiqiang;Tang, Yuanyuan;Feng, Jiagui;Wu, Kehui;Guo, Qinlin;Guo, Jiandong;
7:3:72:3 Cation stoichiometry optimization of SrTiO3 (110) thin films with atomic precision in homogeneous molecular beam epitaxy
DOI:10.1063/1.3681796 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Wang, Zhiming;Feng, Jiagui;Yang, Yang;Yao, Yuan;Gu, Lin;Yang, Fang;Guo, Qinlin;Guo, Jiandong;
7:3:72:4 Strain-Induced Defect Superstructure on the SrTiO3(110) Surface
DOI:10.1103/PhysRevLett.111.056101 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:5 AU: Wang, Zhiming;Li, Fengmiao;Meng, Sheng;Zhang, Jiandi;Plummer, E. W.;Diebold, Ulrike;Guo, Jiandong;
7:3:72:5 Reversible Transition between Thermodynamically Stable Phases with Low Density of Oxygen Vacancies on the SrTiO3(110) Surface
DOI:10.1103/PhysRevLett.107.036103 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:10 AU: Li, Fengmiao;Wang, Zhiming;Meng, Sheng;Sun, Yongbao;Yang, Jinlong;Guo, Qinlin;Guo, Jiandong;
7:3:72:6 Growth of SrTiO3(110) film by oxide molecular beam epitaxy with feedback control
DOI:10.1063/1.4773555 JN:AIP ADVANCES PY:2012 TC:5 AU: Feng, Jiagui;Yang, Fang;Wang, Zhiming;Yang, Yang;Gu, Lin;Zhang, Jiandi;Guo, Jiandong;
7:3:73:1 Growth control of stoichiometry in LaMnO3 epitaxial thin films by pulsed laser deposition
DOI:10.1016/j.jcrysgro.2010.07.013 JN:JOURNAL OF CRYSTAL GROWTH PY:2010 TC:9 AU: Marton, Zsolt;Seo, Sung Seok A.;Egami, Takeshi;Lee, Ho Nyung;
7:3:73:2 Near room-temperature magnetoresistance effect in double perovskite La2NiMnO6
DOI:10.1063/1.4808437 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Guo, Yuqiao;Shi, Lei;Zhou, Shiming;Zhao, Jiyin;Liu, Wenjie;
7:3:73:3 Structural and magnetic properties of La2NiMnO6 thin films on LaAlO3 substrate with varying thickness
DOI:10.1016/j.jallcom.2012.10.065 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:5 AU: Kumar, Deepak;Kaur, Davinder;
7:3:73:4 Passivation of the La2NiMnO6 double perovskite to hydroxylation by excess nickel, and the fate of the hydroxylated surface upon heating
DOI:10.1016/j.apsusc.2014.03.134 JN:APPLIED SURFACE SCIENCE PY:2014 TC:3 AU: Fulmer, Adam T.;Dondlinger, Jasmine;Langell, Marjorie A.;
7:3:73:5 Ferromagnetic resonance in double perovskite epitaxial thin films of La2NiMnO6 on SrTiO3 and NdGaO3 substrates
DOI:10.1063/1.3481678 JN:APPLIED PHYSICS LETTERS PY:2010 TC:11 AU: Kazan, S.;Mikailzade, F. A.;Ozdemir, M.;Aktas, B.;Rameev, B.;Intepe, A.;Gupta, A.;
7:3:73:6 Influence of substrates on epitaxial growth of B-site-ordered perovskite La2NiMnO6 thin films
DOI:10.1063/1.3641982 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Sakurai, Y.;Ohkubo, I.;Matsumoto, Y.;Koinuma, H.;Oshima, M.;
7:3:73:7 Structural and magnetic properties of Sr2FeMoO6 film prepared by electrophoresis technique
DOI:10.1016/j.jmmm.2013.11.027 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:5 AU: Zhang, Q.;Xu, Z. F.;Liang, J.;Pei, J.;Sun, H. B.;
7:3:73:8 Exchange biasing in SFMO/SFWO double perovskite multilayer thin films
DOI:10.1016/j.jallcom.2011.05.006 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:5 AU: Kumar, Deepak;Kaur, Davinder;
7:3:73:9 Magnetic and magnetotransport properties of Ba2FeMoO6 pulsed laser deposited thin films
DOI:10.1063/1.4761843 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Kim, Kyeong-Won;Ghosh, Siddhartha;Buvaev, Sanal;Mhin, Sungwook;Jones, Jacob L.;Hebard, Arthur F.;Norton, David P.;
7:3:73:10 Epitaxial growth and rectification characteristics of double perovskite oxide La2NiMnO6 films on Nb-SrTiO3 single crystal substrates
DOI:10.1016/j.tsf.2011.03.137 JN:THIN SOLID FILMS PY:2011 TC:3 AU: Gao, G. Y.;Wang, Y.;Jiang, Y.;Fei, L. F.;Chan, N. Y.;Chan, H. L. W.;Wu, W. B.;
7:3:74:1 Ca2MnRuO6: Magnetic Order Arising from Chemical Chaos
DOI:10.1021/cm301007m JN:CHEMISTRY OF MATERIALS PY:2012 TC:3 AU: Mishra, Rohan;Soliz, Jennifer R.;Woodward, Patrick M.;Windl, Wolfgang;
7:3:74:2 Electronic structure of SrRu1-xMnxO3 studied by photoemission and x-ray absorption spectroscopy
DOI:10.1103/PhysRevB.81.245127 JN:PHYSICAL REVIEW B PY:2010 TC:10 AU: Horiba, K.;Kawanaka, H.;Aiura, Y.;Saitoh, T.;Satoh, C.;Kikuchi, Y.;Yokoyama, M.;Nishihara, Y.;Eguchi, R.;Senba, Y.;Ohashi, H.;Kitajima, Y.;Shin, S.;
7:3:74:3 Linking local structure and properties in perovskites containing equal concentrations of manganese and ruthenium
DOI:10.1103/PhysRevB.83.134123 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: King, Graham;Ricciardo, Rebecca A.;Soliz, Jennifer R.;Woodward, Patrick M.;Llobet, Anna;
7:3:74:4 Ab initio and photoemission study of correlation effects in SrRuO3 thin films
DOI:10.1103/PhysRevB.87.035106 JN:PHYSICAL REVIEW B PY:2013 TC:5 AU: Grebinskij, S.;Masys, S.;Mickevicius, S.;Lisauskas, V.;Jonauskas, V.;
7:3:74:5 Electronic structure of RuSr2EuCu2O8 studied by x-ray absorption and photoemission spectroscopies
DOI:10.1103/PhysRevB.85.014506 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Han, S. W.;Ling, D. C.;Tsai, H. M.;Chuang, C. H.;Wu, S. L.;Pong, W. F.;Chiou, J. W.;Tsai, M-H.;Jang, L. Y.;Lin, H. J.;Pi, T. W.;Lee, J. F.;
7:3:74:6 Effects of charge-orbital order-disorder phenomena on the unoccupied electronic states in the single-layered half-doped Pr0.5Ca1.5MnO4
DOI:10.1103/PhysRevB.87.155118 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Capogrosso, V.;Malvestuto, M.;Handayani, I. P.;van Loosdrecht, P. H. M.;Nugroho, A. A.;Magnano, E.;Parmigiani, F.;
7:3:74:7 Structure and Properties of Sr1-xCaxMn0.5Ru0.5O3 Perovskites: Using Chemical Pressure to Control Mn/Ru Mixed Valency
DOI:10.1021/cm903848h JN:CHEMISTRY OF MATERIALS PY:2010 TC:12 AU: Ricciardo, Rebecca A.;Cuthbert, Heather L.;Woodward, Patrick M.;Zhou, Qingdi;Kennedy, Brendan J.;Zhang, Zhaoming;Avdeev, Maxim;Jang, Ling-Yun;
7:3:74:8 Electronic structure of LaNiO3-x thin films studied by x-ray photoelectron spectroscopy and density functional theory
DOI:10.1103/PhysRevB.82.165120 JN:PHYSICAL REVIEW B PY:2010 TC:6 AU: Masys, S.;Mickevicius, S.;Grebinskij, S.;Jonauskas, V.;
7:3:74:9 Evidence of active role played by the nonmagnetic element Sr in magnetostructural coupling in SrRuO3
DOI:10.1103/PhysRevB.82.094440 JN:PHYSICAL REVIEW B PY:2010 TC:5 AU: Lahiri, Debdutta;Shibata, T.;Chattopadhyay, S.;Kanungo, Sudipta;Saha-Dasgupta, T.;Singh, R. S.;Sharma, Surinder M.;Maiti, Kalobaran;
7:3:74:10 Soft x-ray synchrotron radiation spectroscopy study of SrMn(1-x)RuxO(3) perovskites (0 <= x <= 1)
DOI:10.1063/1.3360342 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:1 AU: Kim, D. H.;Lee, S. M.;Kolesnik, S.;Dabrowski, B.;Park, B. -G.;Kim, J. -Y.;Lee, Jieun;Min, B. I.;Kang, J. -S.;
7:3:75:1 Interplay of p-d and d-d charge transfer transitions in rare-earth perovskite manganites
DOI:10.1103/PhysRevB.82.035106 JN:PHYSICAL REVIEW B PY:2010 TC:16 AU: Moskvin, A. S.;Makhnev, A. A.;Nomerovannaya, L. V.;Loshkareva, N. N.;Balbashov, A. M.;
7:3:75:2 Full spin polarization of complex ferrimagnetic bismuth iron garnet probed by magneto-optical Faraday spectroscopy
DOI:10.1103/PhysRevB.87.224408 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Deb, Marwan;Popova, Elena;Fouchet, Arnaud;Keller, Niels;
7:3:75:3 Magnetic-field-induced color change in alpha-Fe2O3 single crystals
DOI:10.1103/PhysRevB.85.174413 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Chen, P.;Lee, N.;McGill, S.;Cheong, S. -W.;Musfeldt, J. L.;
7:3:75:4 Strong magnetorefractive and quadratic magneto-optical effects in (Pr0.4La0.6)(0.7)Ca0.3MnO3
DOI:10.1103/PhysRevB.82.140410 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Caicedo, J. M.;Dekker, M. C.;Doerr, K.;Fontcuberta, J.;Herranz, G.;
7:3:75:5 Short-range magnetic interactions and optical band-edge physics in SrCu2(BO3)(2)
DOI:10.1103/PhysRevB.90.014405 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Cherian, Judy G.;Tokumoto, Takahisa D.;Zhou, Haidong;McGill, Stephen A.;
7:3:75:6 Electron spin resonance and exchange paths in the orthorhombic dimer system Sr2VO4
DOI:10.1103/PhysRevB.86.214417 JN:PHYSICAL REVIEW B PY:2012 TC:7 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;
7:3:75:7 Electronic structure and magnetic symmetry in MnTiO3 analyzed by second harmonic generation
DOI:10.1103/PhysRevB.87.214411 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Cherian, Judy G.;Tokumoto, Takahisa D.;Zhou, Haidong;Choi, Eun Sang;McGill, Stephen A.;
7:3:75:8 Magnetopolaron-induced optical response in transition metal oxides
DOI:10.1103/PhysRevB.89.045121 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Caicedo, J. M.;Fontcuberta, J.;Herranz, G.;
7:3:75:9 Strong magnetorefractive effect in epitaxial La2/3Ca1/3MnO3 thin films
DOI:10.1016/j.jmmm.2009.06.012 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:1 AU: Hrabovsky, D.;Herranz, G.;Caicedo, J. M.;Infante, I. C.;Sanchez, F.;Fontcuberta, J.;
7:3:76:1 Metallicity in LaTiO3 thin films induced by lattice deformation
DOI:10.1103/PhysRevB.81.161101 JN:PHYSICAL REVIEW B PY:2010 TC:11 AU: Wong, Franklin J.;Baek, Seung-Hyub;Chopdekar, Rajesh V.;Mehta, Virat V.;Jang, Ho-Won;Eom, Chang-Beom;Suzuki, Yuri;
7:3:76:2 Metal-insulator transitions in epitaxial LaVO3 and LaTiO3 films
DOI:10.1103/PhysRevB.86.081401 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: He, C.;Sanders, T. D.;Gray, M. T.;Wong, F. J.;Mehta, V. V.;Suzuki, Y.;
7:3:76:3 Strain-induced interface reconstruction in epitaxial heterostructures
DOI:10.1103/PhysRevB.84.245428 JN:PHYSICAL REVIEW B PY:2011 TC:1 AU: Lazarides, N.;Paltoglou, V.;Maniadis, P.;Tsironis, G. P.;Panagopoulos, C.;
7:3:76:4 Strain-induced insulator-to-metal transition in LaTiO3 within DFT plus DMFT
DOI:10.1103/PhysRevB.89.161109 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Dymkowski, Krzysztof;Ederer, Claude;
7:3:76:5 Dielectric-permittivity-driven charge carrier modulation at oxide interfaces
DOI:10.1103/PhysRevB.81.241308 JN:PHYSICAL REVIEW B PY:2010 TC:6 AU: Siemons, Wolter;Huijben, Mark;Rijnders, Guus;Blank, Dave H. A.;Geballe, Theodore H.;Beasley, Malcolm R.;Koster, Gertjan;
7:3:76:6 Pinhole mediated electrical transport across LaTiO3/SrTiO3 and LaAlO3/SrTiO3 oxide hetero-structures
DOI:10.1063/1.4831685 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Kumar, Pramod;Dogra, Anjana;Toutam, Vijaykumar;
7:3:77:1 Defect energetics in SrTiO3 symmetric tilt grain boundaries
DOI:10.1103/PhysRevB.83.104110 JN:PHYSICAL REVIEW B PY:2011 TC:17 AU: Lee, H. -S.;Mizoguchi, T.;Mistui, J.;Yamamoto, T.;Kang, S. -J. L.;Ikuhara, Y.;
7:3:77:2 Enhanced ferromagnetism in grain boundary of Co-doped ZnO films: A magnetic force microscopy study
DOI:10.1063/1.3593384 JN:APPLIED PHYSICS LETTERS PY:2011 TC:13 AU: Lin, M. N.;Hsu, H. S.;Lai, J. Y.;Guo, M. C.;Lin, C. Y.;Li, G. Y.;Chen, F. Y.;Huang, J. J.;Chen, S. F.;Liu, C. P.;Huang, J. C. A.;
7:3:77:3 First principles study on oxygen vacancy formation in rock salt-type oxides MO (M: Mg, Ca, Sr and Ba)
DOI:10.1016/j.ceramint.2012.10.079 JN:CERAMICS INTERNATIONAL PY:2013 TC:3 AU: Yamamoto, Takashi;Mizoguchi, Teruyasu;
7:3:77:4 Nonrandom Point Defect Configurations and Driving Force Transitions for Grain Boundary Segregation in Trivalent Cation Doped ZrO2
DOI:10.1021/la503338x JN:LANGMUIR PY:2014 TC:4 AU: Yokoi, T.;Yoshiya, M.;Yasuda, H.;
7:3:77:5 Characterization and atomic modeling of an asymmetric grain boundary
DOI:10.1103/PhysRevB.84.195319 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Lee, Hak-Sung;Mizoguchi, Teruyasu;Yamamoto, Takahisa;Kang, Suk-Joong L.;Ikuhara, Yuichi;
7:3:77:6 Phonon thermal transport through tilt grain boundaries in strontium titanate
DOI:10.1063/1.4893648 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Zheng, Zexi;Chen, Xiang;Deng, Bowen;Chernatynskiy, Aleksandr;Yang, Shengfeng;Xiong, Liming;Chen, Youping;
7:3:78:1 Analysis of electro-active regions and conductivity of BaMnO3 ceramic by impedance spectroscopy
DOI:10.1007/s00339-013-7981-z JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2014 TC:1 AU: Hayat, Khizar;Nadeem, M.;Iqbal, M. Javid;Rafiq, M. A.;Hasan, M. M.;
7:3:78:2 First-principles study of the (001) surface of half-metallic cubic BaCrO3
DOI:10.1016/j.jmmm.2013.05.035 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:1 AU: Liu, N.;Yao, K. L.;Gao, G. Y.;Liu, J. B.;
7:3:78:3 Surface properties of the (001) surface of cubic BaMnO3: A density functional theory study
DOI:10.1063/1.3410797 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:8 AU: Li, N.;Yao, K. L.;Gao, G. Y.;Zhu, L.;Wu, Y. Y.;
7:3:78:4 The half-metallic properties and geometrical structures of cubic BaMnO3 and BaTiO3/BaMnO3 superlattice
DOI:10.1063/1.3567935 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Li, N.;Yao, K. L.;Sun, Z. Y.;Zhu, L.;Gao, G. Y.;
7:3:78:5 Electronic structure and surface properties of cubic perovskite oxide BaMnO3
DOI:10.1016/j.commatsci.2010.11.027 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2011 TC:7 AU: Gokoglu, Gokhan;Yildirim, Hasan;
7:3:78:6 Electronic structure of antiferromagnetic PbCrO3 (001) surfaces
DOI:10.1016/j.jallcom.2011.06.096 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:3 AU: Yildirim, Hasan;Agduk, Savas;Gokoglu, Gokhan;
7:3:78:7 Impedance spectroscopy study of BNKLT polycrystalline ceramic
DOI:10.1007/s00339-011-6631-6 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2012 TC:3 AU: Rajulu, K. Ch. Varada;Tilak, B.;Rao, K. Sambasiva;
7:3:79:1 Labyrinth-type domain structure of heteroepitaxial SrMnO2.5 film
DOI:10.1063/1.4811152 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Kobayashi, Shunsuke;Ikuhara, Yuichi;Yamamoto, Takahisa;
7:3:79:2 Growth of Ruddlesden-Popper type faults in Sr-excess SrTiO3 homoepitaxial thin films by pulsed laser deposition
DOI:10.1063/1.3656340 JN:APPLIED PHYSICS LETTERS PY:2011 TC:9 AU: Tokuda, Y.;Kobayashi, S.;Ohnishi, T.;Mizoguchi, T.;Shibata, N.;Ikuhara, Y.;Yamamoto, T.;
7:3:79:3 Multiferroicity in manganite/titanate superlattices determined by oxygen pressure-mediated cation defects
DOI:10.1063/1.4802430 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Li, Z.;You, L.;Yang, Z.;Tan, H. R.;Ren, P.;Chen, X. F.;Pan, J. S.;Wang, J. L.;Wang, L.;Bosman, M.;Zhu, W. G.;Dong, Z. L.;
7:3:79:4 Strontium vacancy clustering in Ti-excess SrTiO3 thin film
DOI:10.1063/1.3616136 JN:APPLIED PHYSICS LETTERS PY:2011 TC:8 AU: Tokuda, Y.;Kobayashi, S.;Ohnishi, T.;Mizoguchi, T.;Shibata, N.;Ikuhara, Y.;Yamamoto, T.;
7:3:79:5 Cation off-stoichiometric SrMnO3-delta thin film grown by pulsed laser deposition
DOI:10.1007/s10853-010-5103-2 JN:JOURNAL OF MATERIALS SCIENCE PY:2011 TC:4 AU: Kobayashi, S.;Tokuda, Y.;Ohnishi, T.;Mizoguchi, T.;Shibata, N.;Sato, Y.;Ikuhara, Y.;Yamamoto, T.;
7:3:79:6 Quantitative analyses of oxidation states for cubic SrMnO3 and orthorhombic SrMnO2.5 with electron energy loss spectroscopy
DOI:10.1063/1.3520655 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:6 AU: Kobayashi, S.;Tokuda, Y.;Mizoguchi, T.;Shibata, N.;Sato, Y.;Ikuhara, Y.;Yamamoto, T.;
7:3:80:1 Evidence for the formation of two phases during the growth of SrTiO3 on silicon
DOI:10.1103/PhysRevB.83.054105 JN:PHYSICAL REVIEW B PY:2011 TC:14 AU: Niu, G.;Penuelas, J.;Largeau, L.;Vilquin, B.;Maurice, J. L.;Botella, C.;Hollinger, G.;Saint-Girons, G.;
7:3:80:2 Heteroepitaxy of SrTiO(3) thin films on Si (001) using different growth strategies: Toward substratelike quality
DOI:10.1116/1.3609813 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2011 TC:7 AU: Niu, G.;Vilquin, B.;Penuelas, J.;Botella, C.;Hollinger, G.;Saint-Girons, G.;
7:3:80:3 Pulsed laser deposition of epitaxial ferroelectric Pb(Zr,Ti)O-3 films on silicon substrates
DOI:10.1016/j.tsf.2011.10.139 JN:THIN SOLID FILMS PY:2012 TC:3 AU: Borowiak, A. S.;Niu, G.;Pillard, V.;Agnus, G.;Lecoeur, Ph.;Albertini, D.;Baboux, N.;Gautier, B.;Vilquin, B.;
7:3:80:4 Capacitance-voltage characteristics of SrTiO3/LaVO3 epitaxial heterostructures
DOI:10.1063/1.3441400 JN:APPLIED PHYSICS LETTERS PY:2010 TC:3 AU: Choi, Woong;Lee, Sang Yoon;Sands, Timothy D.;
7:3:80:5 Direct epitaxial growth of SrTiO3 on Si (001): Interface, crystallization and IR evidence of phase transition
DOI:10.1016/j.tsf.2010.12.208 JN:THIN SOLID FILMS PY:2011 TC:4 AU: Niu, G.;Peng, W. W.;Saint-Girons, G.;Penuelas, J.;Roy, P.;Brubach, J. B.;Maurice, J-L.;Hollinger, G.;Vilquin, B.;
7:3:80:6 Molecular beam epitaxy of SrTiO3 on GaAs (001): GaAs surface treatment and structural characterization of the oxide layer
DOI:10.1016/j.tsf.2014.02.062 JN:THIN SOLID FILMS PY:2014 TC:3 AU: Louahadj, L.;Bachelet, R.;Regreny, P.;Largeau, L.;Dubourdieu, C.;Saint-Girons, G.;
7:3:80:7 Physical origin of in-plane lattice spacing oscillations measured by reflection high-energy electron diffraction during epitaxial growth
DOI:10.1103/PhysRevB.84.195429 JN:PHYSICAL REVIEW B PY:2011 TC:0 AU: Fuhr, J. D.;Mueller, P.;
7:3:80:8 Atomic and electronic structures of the SrVO3-LaAlO3 interface
DOI:10.1063/1.3601870 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Chi, Miaofang;Mizoguchi, Teruyasu;Martin, Lane W.;Bradley, John P.;Ikeno, Hidekazu;Ramesh, Ramamoorthy;Tanaka, Isao;Browning, Nigel;
7:3:81:1 Oxygen incorporation effects in annealed epitaxial La(1-x)SrxMnO3 thin films
DOI:10.1063/1.3596807 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:11 AU: Petrisor, T., Jr.;Gabor, M. S.;Boulle, A.;Bellouard, C.;Tiusan, C.;Pana, O.;Petrisor, T.;
7:3:81:2 Effect of growth oxygen pressure on anisotropic-strain-induced phase separation in epitaxial La0.67Ca0.33MnO3/NdGaO3(001) films
DOI:10.1063/1.4807293 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Zhi, Bowen;Gao, Guanyin;Huang, Zhen;Wang, Lingfei;Tan, Xuelian;Chen, Pingfan;Wu, Wenbin;
7:3:81:3 Magnetic pinning effects of epitaxial LaxSr1-xMnO3 nanostructured thin films on YBa2Cu3O7-delta layers
DOI:10.1063/1.4748049 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Petrisor, T., Jr.;Gabor, M. S.;Tiusan, C.;Galluzzi, V.;Celentano, G.;Popa, S.;Boulle, A.;Petrisor, T.;
7:3:81:4 Interface engineering using ferromagnetic nanoparticles for enhancing pinning in YBa2Cu3O7-delta thin film
DOI:10.1063/1.3665874 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Jha, Alok K.;Khare, Neeraj;Pinto, R.;
7:3:81:5 Oxygen content dependence of the photovoltaic characteristic of miscut manganite thin films
DOI:10.1063/1.3620984 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Ni, H.;Yu, D.;Zhao, K.;Kong, Y. -C.;Wong, H. K.;Zhao, S. Q.;Zhang, W. S.;
7:3:81:6 Robust high-temperature magnetic pinning induced by proximity in YBa(2)Cu(3)O(7-delta)/La(0.67)Sr(0.33)MnO(3) hybrids
DOI:10.1063/1.3573491 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Chen, C. Z.;Liu, Z. Y.;Lu, Y. M.;Zeng, L.;Cai, C. B.;Zeng, R.;Dou, S. X.;
7:3:81:7 Exchange-bias-modulated inverse superconducting spin switch in CoO/Co/YBa2Cu3O7-delta/La0.7Ca0.3MnO3 thin film hybrids
DOI:10.1103/PhysRevB.81.024512 JN:PHYSICAL REVIEW B PY:2010 TC:3 AU: Nemes, N. M.;Visani, C.;Sefrioui, Z.;Leon, C.;Santamaria, J.;Iglesias, M.;Mompean, F.;Garcia-Hernandez, M.;
7:3:81:8 Temperature-dependent transport and transient photovoltaic properties of La2/3Ca1/3MnO3/Nb:SrTiO3 heteroepitaxial p-n junction
DOI:10.1063/1.4737256 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Ni, H.;Da, S. L.;Zhao, K.;Kong, Y-C.;Wong, H. K.;Zhao, S. Q.;
7:3:82:1 X-ray interference effects on the determination of structural data in ultrathin La2/3Sr1/3MnO3 epitaxial thin films
DOI:10.1063/1.3663574 JN:APPLIED PHYSICS LETTERS PY:2011 TC:4 AU: Pesquera, D.;Marti, X.;Holy, V.;Bachelet, R.;Herranz, G.;Fontcuberta, J.;
7:3:82:2 BiFeO3/YBa2Cu3O7-delta heterostructures for strong ferroelectric modulation of superconductivity
DOI:10.1063/1.4774248 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Crassous, A.;Bernard, R.;Fusil, S.;Bouzehouane, K.;Briatico, J.;Bibes, M.;Barthelemy, A.;Villegas, Javier E.;
7:3:82:3 Structural and electrical characterization of ultra-thin SrTiO3 tunnel barriers grown over YBa2Cu3O7 electrodes for the development of high T-c Josephson junctions
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7:3:82:4 High transition temperature superconductor/insulator bilayers for the development of ultra-fast electronics
DOI:10.1063/1.4816416 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Sirena, M.;Aviles Felix, L.;Haberkorn, N.;
7:3:82:5 Roughness influence in the barrier quality of ferroelectric/ferromagnetic tunnel junctions, model, and experiments
DOI:10.1063/1.3642971 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Sirena, M.;
7:3:82:6 Structural and transport characterization of ultra thin Ba0.05Sr0.95TiO3 layers grown over Nb electrodes for the development of Josephson junctions
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7:3:82:7 Characteristics of YBa2Cu3O7-x/SrTiO3/YBa2Cu3O7-x films formed by chemical solution deposition
DOI:10.1016/j.ceramint.2014.05.018 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Wu, Chuanbao;Zhao, Gaoyang;Qiao, Fanyang;
7:3:83:1 Nanoscale monoclinic domains in epitaxial SrRuO3 thin films deposited by pulsed laser deposition
DOI:10.1063/1.4889932 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Ghica, C.;Negrea, R. F.;Nistor, L. C.;Chirila, C. F.;Pintilie, L.;
7:3:83:2 Structural phase transition and spontaneous interface reconstruction in La2/3Ca1/3MnO3/BaTiO3 superlattices
DOI:10.1103/PhysRevB.87.035418 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Turner, S.;Lebedev, O. I.;Verbeeck, J.;Gehrke, K.;Moshnyaga, V.;Van Tendeloo, G.;
7:3:83:3 Interface controlled electronic variations in correlated heterostructures
DOI:10.1103/PhysRevB.82.113101 JN:PHYSICAL REVIEW B PY:2010 TC:5 AU: Gehrke, K.;Moshnyaga, V.;Samwer, K.;Lebedev, O. I.;Verbeeck, J.;Kirilenko, D.;Van Tendeloo, G.;
7:3:83:4 Colossal magnetoresistance of Nd2/3Sr1/3MnO3 ultrathin films grown on charge-ordered Nd1/2Ca1/2MnO3 manganite
DOI:10.1103/PhysRevB.84.104434 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Laverdiere, J.;Jandl, S.;Fournier, P.;
7:3:83:5 SrRuO3 thin films grown on MgO substrates at different oxygen partial pressures
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7:3:83:6 Intrinsic antiferromagnetic coupling underlies colossal magnetoresistance effect: Role of correlated polarons
DOI:10.1103/PhysRevB.89.024420 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Moshnyaga, V.;Belenchuk, A.;Huehn, S.;Kalkert, C.;Jungbauer, M.;Lebedev, O. I.;Merten, S.;Choi, K. -Y.;Lemmens, P.;Damaschke, B.;Samwer, K.;
7:3:84:1 Nanosheet controlled epitaxial growth of PbZr0.52Ti0.48O3 thin films on glass substrates
DOI:10.1063/1.4896991 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Bayraktar, M.;Chopra, A.;Bijkerk, F.;Rijnders, G.;
7:3:84:2 Microstructure and ferroelectric properties of epitaxial cation ordered PbSc0.5Ta0.5O3 thin films grown on electroded and buffered Si(100)
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7:3:84:3 Crystal defects and cation ordering domains in epitaxial PbSc0.5Ta0.5O3 relaxor ferroelectric thin films investigated by high-resolution transmission electron microscopy
DOI:10.1016/j.actamat.2011.03.027 JN:ACTA MATERIALIA PY:2011 TC:10 AU: Birajdar, B. I.;Chopra, A.;Alexe, M.;Hesse, D.;
7:3:84:4 Enhanced ferroelectric and dielectric properties of (111)-oriented highly cation-ordered PbSc0.5Ta0.5O3 thin films
DOI:10.1063/1.4846817 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Chopra, Anuj;Birajdar, Balaji I.;Kim, Yunseok;Alexe, Marin;Hesse, Dietrich;
7:3:84:5 Nanoscale bit formation in highly (111)-oriented ferroelectric thin films deposited on glass substrates for high-density storage media
DOI:10.1088/0957-4484/22/24/245705 JN:NANOTECHNOLOGY PY:2011 TC:4 AU: Kim, Dae Hong;Kim, Yong Kwan;Hong, Seungbum;Kim, Yunseok;Baik, Sunggi;
7:3:84:6 Local Control over Nucleation of Epitaxial Thin Films by Seed Layers of Inorganic Nanosheets
DOI:10.1021/am4052624 JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:8 AU: Nijland, Maarten;Kumar, Suresh;Lubbers, Roy;Blank, Dave H. A.;Rijnders, Guus;Koster, Gertjan;ten Elshof, Johan E.;
7:3:84:7 Structural Transformations of PZT 53/47 Sol-Gel Films on Different Substrates Driven by Thermal Treatments
DOI:10.1080/00150191003795189 JN:FERROELECTRICS PY:2010 TC:2 AU: Bruno, Emanuela;Ciuchi, Federica;Castriota, Marco;Marino, Salvatore;Nicastro, Gaetano;Cazzanelli, Enzo;Scaramuzza, Nicola;
7:3:85:1 Colossal dielectric constant and relaxation behaviors in Pr:SrTiO(3) ceramics
DOI:10.1063/1.3359715 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:11 AU: Liu, Cheng;Liu, Peng;Zhou, Jian-ping;He, Ying;Su, Li-na;Cao, Lei;Zhang, Huai-wu;
7:3:85:2 Effects of Gd substitution on microstructures and low temperature dielectric relaxation behaviors of SrTiO3 ceramics
DOI:10.1063/1.4745876 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:6 AU: Fang, Liang;Dong, Wen;Zheng, Fengang;Shen, Mingrong;
7:3:85:3 Photoinduced phase transition and relaxation in bare SrTiO3 single crystals
DOI:10.1063/1.4815950 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Jin, K. X.;Luo, B. C.;Li, Y. F.;Chen, C. L.;Wu, T.;
7:3:85:4 Enhancement of tetragonality and role of strontium vacancies in heterovalent doped SrTiO3
DOI:10.1063/1.3549181 JN:APPLIED PHYSICS LETTERS PY:2011 TC:9 AU: Tkach, A.;Almeida, A.;Moreira, J. Agostinho;Correia, T. M.;Chaves, M. R.;Okhay, O.;Vilarinho, P. M.;Gregora, I.;Petzelt, J.;
7:3:85:5 Crystal structure, local structure, and defect structure of Pr-doped SrTiO3
DOI:10.1063/1.4737586 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Sluchinskaya, I. A.;Lebedev, A. I.;Erko, A.;
7:3:85:6 Combined experimental and theoretical study of the low temperature dielectric and magnetic properties of trivalent Eu ion doped SrTiO3 ceramics
DOI:10.1063/1.3699044 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Yu, Jiangzhou;Fang, Liang;Cai, Tianyi;Ju, Sheng;Dong, Wen;Zheng, Fengang;Shen, Mingrong;
7:3:86:1 Finite-size versus interface-proximity effects in thin-film epitaxial SrTiO3
DOI:10.1103/PhysRevB.89.241401 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: De Souza, R. A.;Gunkel, F.;Hoffmann-Eifert, S.;Dittmann, R.;
7:3:86:2 Influence of charge compensation mechanisms on the sheet electron density at conducting LaAlO3/SrTiO3-interfaces
DOI:10.1063/1.3679139 JN:APPLIED PHYSICS LETTERS PY:2012 TC:9 AU: Gunkel, F.;Brinks, P.;Hoffmann-Eifert, S.;Dittmann, R.;Huijben, M.;Kleibeuker, J. E.;Koster, G.;Rijnders, G.;Waser, R.;
7:3:86:3 Stoichiometry dependence and thermal stability of conducting NdGaO3/SrTiO3 heterointerfaces
DOI:10.1063/1.4792509 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Gunkel, F.;Skaja, K.;Shkabko, A.;Dittmann, R.;Hoffmann-Eifert, S.;Waser, R.;
7:3:86:4 High temperature conductance characteristics of LaAlO3/SrTiO3-heterostructures under equilibrium oxygen atmospheres
DOI:10.1063/1.3457386 JN:APPLIED PHYSICS LETTERS PY:2010 TC:10 AU: Gunkel, F.;Hoffmann-Eifert, S.;Dittmann, R.;Mi, S. B.;Jia, C. L.;Meuffels, P.;Waser, R.;
7:3:87:1 Silicon Surface Deoxidation Using Strontium Oxide Deposited with the Pulsed Laser Deposition Technique
DOI:10.1021/am505202p JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:1 AU: Jovanovic, Zoran;Spreitzer, Matjaz;Kovac, Janez;Klement, Dejan;Suvorov, Danilo;
7:3:87:2 Thermal stability of SrTiO3/SiO2/Si Interfaces at Intermediate Oxygen Pressures
DOI:10.1063/1.3460098 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:7 AU: Yong, G. J.;Kolagani, Rajeswari M.;Adhikari, S.;Vanderlinde, W.;Liang, Y.;Muramatsu, K.;Friedrich, S.;
7:3:87:3 Real-time spectroscopic ellipsometric investigation of adsorption and desorption in atomic layer deposition: A case study for the strontium bis(tri-isopropylcyclopentadienyl)/water process
DOI:10.1116/1.3664757 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A PY:2012 TC:4 AU: Wang, Han;Jiang, Xiaoqiang;Willis, Brian G.;
7:3:87:4 Formation of strontium template on Si(1 0 0) by atomic layer deposition
DOI:10.1016/j.apsusc.2010.12.098 JN:APPLIED SURFACE SCIENCE PY:2011 TC:10 AU: Zhang, C. B.;Wielunski, L.;Willis, B. G.;
7:3:87:5 Thermal chemistry of Mn-2(CO)(10) during deposition of thin manganese films on silicon oxide and on copper surfaces
DOI:10.1116/1.3658373 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A PY:2012 TC:12 AU: Qin, Xiangdong;Sun, Huaxing;Zaera, Francisco;
7:3:87:6 Epitaxial integration of photoresponsive Bi0.4Ca0.6MnO3 with Si(001)
DOI:10.1063/1.3561371 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Yong, Grace J.;Kolagani, Rajeswari M.;Hofmann, Benjamin P.;Adhikari, Sanjay;Liang, Yong;Smolyaninova, Vera N.;
7:3:88:1 Evolution of ferromagnetism in orthorhombic perovskites Sr1-xPbxRuO3
DOI:10.1103/PhysRevB.81.134412 JN:PHYSICAL REVIEW B PY:2010 TC:15 AU: Cheng, J. -G.;Zhou, J. -S.;Goodenough, J. B.;
7:3:88:2 Electrical and magnetic properties of the complete solid solution series between SrRuO3 and LaRhO3: Filling t(2g) versus tilting
DOI:10.1103/PhysRevB.83.064417 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Barton, Phillip T.;Seshadri, Ram;Rosseinsky, Matthew J.;
7:3:88:3 Pressure dependence of the superconducting transition temperature of the filled skutterudite YFe4P12
DOI:10.1103/PhysRevB.88.024514 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Cheng, J. -G.;Zhou, J. -S.;Matsubayashi, K.;Kong, P. P.;Kubo, Y.;Kawamura, Y.;Sekine, C.;Jin, C. Q.;Goodenough, J. B.;Uwatoko, Y.;
7:3:88:4 Evidence of three-dimensional Ising ferromagnetism in the A-site-ordered perovskite CaCu3Ge4O12
DOI:10.1103/PhysRevB.83.212403 JN:PHYSICAL REVIEW B PY:2011 TC:1 AU: Cheng, J-G.;Zhou, J-S.;Goodenough, J. B.;Su, Y. T.;Sui, Y.;
7:3:88:5 High-pressure effects in anti-post-perovskite superconductors V(3)PnN(x) (Pn = P, As)
DOI:10.1103/PhysRevB.89.144510 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Wang, B. S.;Cheng, J. -G.;Matsubayashi, K.;Uwatoko, Y.;Ohgushi, K.;
7:3:88:6 Perspective on Engineering Transition-Metal Oxides
DOI:10.1021/cm402063u JN:CHEMISTRY OF MATERIALS PY:2014 TC:7 AU: Goodenough, John B.;
7:3:88:7 High-pressure effects in anti-post-perovskite superconductors V(3)PnN(x) (Pn = P, As) (vol 89, 144510, 2014)
DOI:10.1103/PhysRevB.90.139901 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Wang, B. S.;Cheng, J. -G.;Matsubayashi, K.;Uwatoko, Y.;Ohgushi, K.;
7:3:89:1 Temperature dependence of magnetic properties of La0.7Sr0.3MnO3/SrTiO3 thin films on silicon substrates
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7:3:89:2 Thickness dependence of dynamic and static magnetic properties of pulsed laser deposited La0.7Sr0.3MnO3 films on SrTiO3(001)
DOI:10.1016/j.jmmm.2014.06.038 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:1 AU: Monsen, Asmund;Boschker, Jos E.;Macia, Ferran;Wells, Justin W.;Nordblad, Per;Kent, Andrew D.;Mathieu, Roland;Tybell, Thomas;Wahlstrom, Erik;
7:3:89:3 Qualitative determination of surface roughness by in situ reflection high energy electron diffraction
DOI:10.1063/1.3701610 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Boschker, J. E.;Tybell, T.;
7:3:89:4 La0.7Sr0.3MnO3 thin films on SrTiO3 and CaTiO3 buffered Si substrates: structural, static, and dynamic magnetic properties
DOI:10.1007/s11051-011-0334-y JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2011 TC:2 AU: Belmeguenai, M.;Mercone, S.;Adamo, C.;Chauveau, T.;Mechin, L.;Monod, P.;Moch, P.;Schlom, D. G.;
7:3:89:5 Easy-plane magnetocrystalline anisotropy of compressive strained (La, Ba)MnO3 film
DOI:10.1063/1.4733943 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Jin ZengTian;Wei, Tong;Li, Bing;Yang, Lei;Duanmu, Qingyong;Wang, Xiaoping;Zhu, Hong;
7:3:89:6 Structural and magnetic properties of La0.7Sr0.3MnO3 thin films integrated onto Si(100) substrates with SrTiO3 as buffer layer
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7:3:90:1 Interface Engineered BaTiO3/SrTiO3 Heterostructures with Optimized High-Frequency Dielectric Properties
DOI:10.1021/am301066u JN:ACS APPLIED MATERIALS & INTERFACES PY:2012 TC:17 AU: Liu, Ming;Ma, Chunrui;Collins, Gregory;Liu, Jian;Chen, Chonglin;Dai, Chao;Lin, Yuan;Shui, Li;Xiang, Feng;Wang, Hong;He, Jie;Jiang, Jiechao;Meletis, Efstathios I.;Cole, Melanie W.;
7:3:90:2 Strain relaxation in epitaxial (Pb,Sr)TiO3 thin films on NdGaO3 substrates
DOI:10.1063/1.3357435 JN:APPLIED PHYSICS LETTERS PY:2010 TC:8 AU: Lin, Y.;Dai, C.;Li, Y. R.;Chen, X.;Chen, C. L.;Bhalla, A.;Jia, Q. X.;
7:3:90:3 Interface structures and strain relaxation mechanisms of ferroelectric BaTiO3/SrTiO3 multilayers on (001) MgO substrates
DOI:10.1016/j.jcrysgro.2013.08.003 JN:JOURNAL OF CRYSTAL GROWTH PY:2013 TC:0 AU: Ding, Ying;Chen, Jianghua;He, Junming;Liu, Ming;Ma, Chunrui;Chen, Chonglin;
7:3:90:4 The effects of strain relaxation on the dielectric properties of epitaxial ferroelectric Pb(Zr0.2Ti0.8)TiO3 thin films
DOI:10.1063/1.4885551 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Khan, Asif Islam;Yu, Pu;Trassin, Morgan;Lee, Michelle J.;You, Long;Salahuddin, Sayeef;
7:3:90:5 Microstructure Analysis of Ferroelectric BaTiO3/SrTiO3 Heterostructures on LaAlO3 Substrates by High Resolution X-ray Diffraction
DOI:10.1080/00150193.2014.922836 JN:FERROELECTRICS PY:2014 TC:0 AU: Dai, C.;Liu, M.;Ma, C. R.;Chen, C. L.;Lin, Y.;
7:3:90:6 Microwave Dielectric Properties of Mn-doped (Ba,Sr)TiO3//Ba(Zr,Ti)O-3 Multilayered Thin Films: Optimization of Designed Structure
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7:3:91:1 First Order Colossal Magnetoresistance Transitions in the Two-Orbital Model for Manganites
DOI:10.1103/PhysRevLett.105.097203 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:20 AU: Sen, Cengiz;Alvarez, Gonzalo;Dagotto, Elbio;
7:3:91:2 Theory for charge and orbital density-wave states in manganite La0.5Sr1.5MnO4
DOI:10.1103/PhysRevB.87.155103 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Yao, Zi-Jian;Chen, Wei-Qiang;Gao, Jin-Hua;Jiang, Hong-Min;Zhang, Fu-Chun;
7:3:91:3 Bridging Charge-Orbital Ordering and Fermi Surface Instabilities in Half-Doped Single-Layered Manganite La0.5Sr1.5MnO4
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7:3:91:4 Electronic Confinement and Ordering Instabilities in Colossal Magnetoresistive Bilayer Manganites
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7:3:91:5 Quantum many-body interactions in digital oxide superlattices
DOI:10.1038/NMAT3405 JN:NATURE MATERIALS PY:2012 TC:30 AU: Monkman, Eric J.;Adamo, Carolina;Mundy, Julia A.;Shai, Daniel E.;Harter, John W.;Shen, Dawei;Burganov, Bulat;Muller, David A.;Schlom, Darrell G.;Shen, Kyle M.;
7:3:92:1 Four-States Multiferroic Memory Embodied Using Mn-Doped BaTiO3 Nanorods
DOI:10.1021/nn4017422 JN:ACS NANO PY:2013 TC:12 AU: Son, Jong Yeog;Lee, Jung-Hoon;Song, Seungwoo;Shin, Young-Han;Jang, Hyun Myung;
7:3:92:2 Effects of Ti-doping on evolution of coexisting magnetic phases in BaFeO3-delta thin films at room temperature
DOI:10.1063/1.4883182 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Aziz, Fozia;Chandra, Mahesh;Khare, Amit;Pandey, Parul;Mavani, K. R.;
7:3:92:3 AFM Observations of Domain Structures in Thin Films of BiFeO3
DOI:10.1080/00150193.2011.578938 JN:FERROELECTRICS PY:2011 TC:2 AU: Kibien, I.;Kowalczyk, R.;Przeslawski, J.;
7:3:92:4 Imprint Control of Nonvolatile Shape Memory with Asymmetric Ferroelectric Multilayers
DOI:10.1021/cm5029782 JN:CHEMISTRY OF MATERIALS PY:2014 TC:0 AU: Kim, Woo-Hee;Son, Jong Yeog;Shin, Young-Han;Jang, Hyun Myung;
7:3:92:5 Temperature Dependent Surface Images of KFe(MoO4)(2) Observed by Atomic Force Microscopy
DOI:10.1080/00150193.2012.743780 JN:FERROELECTRICS PY:2012 TC:0 AU: Kowalczyk, R.;Zapart, M. B.;Zapart, W.;
7:3:93:1 Effects of Atomic Collisions on the Stoichiometry of Thin Films Prepared by Pulsed Laser Deposition
DOI:10.1103/PhysRevLett.111.036101 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:3 AU: Packwood, Daniel M.;Shiraki, Susumu;Hitosugi, Taro;
7:3:93:2 Quality control of epitaxial LiCoO2 thin films grown by pulsed laser deposition
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7:3:93:3 Pulsed-laser deposition of superconducting LiTi2O4 ultrathin films
DOI:10.1016/j.jcrysgro.2015.03.020 JN:JOURNAL OF CRYSTAL GROWTH PY:2015 TC:0 AU: Oshima, Takayoshi;Yokoyama, Kosuke;Niwa, Mifuyu;Ohtomo, Akira;
7:3:93:4 Growth processes of lithium titanate thin films deposited by using pulsed laser deposition
DOI:10.1063/1.4752466 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Kumatani, Akichika;Ohsawa, Takeo;Shimizu, Ryota;Takagi, Yoshitaka;Shiraki, Susumu;Hitosugi, Taro;
7:3:93:5 Fabrication of thin-film lithium batteries with 5-V-class LiCoMnO4 cathodes
DOI:10.1016/j.ssi.2013.09.054 JN:SOLID STATE IONICS PY:2014 TC:3 AU: Kuwata, Naoaki;Kudo, Shota;Matsuda, Yasutaka;Kawamura, Junichi;
7:3:93:6 Nazca Lines by La ordering in La2/3-xLi3xTiO3 ion-conductive perovskite
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7:3:94:1 Noninvasive embedding of single Co atoms in Ge(111)2 x 1 surfaces
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7:3:94:2 Interface and nanostructure evolution of cobalt germanides on Ge(001)
DOI:10.1063/1.4865955 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:4 AU: Grzela, T.;Koczorowski, W.;Capellini, G.;Czajka, R.;Radny, M. W.;Curson, N.;Schofield, S. R.;Schubert, M. A.;Schroeder, T.;
7:3:94:3 Formation of Co/Ge intermixing layers after Co deposition on Ge(111)2 x 1 surfaces
DOI:10.1088/0957-4484/23/43/435605 JN:NANOTECHNOLOGY PY:2012 TC:2 AU: Muzychenko, D. A.;Schouteden, K.;Panov, V. I.;Van Haesendonck, C.;
7:3:94:4 Electronic structure of Co islands grown on the root 3 x root 3-Ag/Ge(111) surface
DOI:10.1016/j.tsf.2011.03.061 JN:THIN SOLID FILMS PY:2011 TC:6 AU: Huang, Xiao-Lan;Chou, Chi-Hao;Lin, Chun-Liang;Tomaszewska, Agnieszka;Fu, Tsu-Yi;
7:3:94:5 Low-temperature scanning tunneling microscopy and spectroscopy of spatial oscillations in the density of states near domain boundaries at the Ge(111)2X1 surface
DOI:10.1103/PhysRevB.81.035313 JN:PHYSICAL REVIEW B PY:2010 TC:6 AU: Muzychenko, D. A.;Savinov, S. V.;Mantsevich, V. N.;Maslova, N. S.;Panov, V. I.;Schouteden, K.;Van Haesendonck, C.;
7:3:94:6 Thermal evolution of Co on the coexisting Ag/Ge(111)-root 3 x root 3 and Ag/Ge(111)-4 x 4 phases
DOI:10.1007/s11051-012-1257-y JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2012 TC:4 AU: Huang, Xiao-Lan;Tomaszewska, Agnieszka;Chou, Chi-Hao;Hsu, Chung-Yu;Lin, Chun-Liang;Fu, Tsu-Yi;
7:3:94:7 Creation and annihilation of single atom vacancy during subsurface diffusion
DOI:10.1103/PhysRevB.82.201305 JN:PHYSICAL REVIEW B PY:2010 TC:4 AU: Choi, Junghun;Lim, Do Kyung;Kim, Youngwoo;Kim, Do Hwan;Kim, Sehun;
7:3:95:1 Probing orbital fluctuations in RVO3 (R = Y, Gd, or Ce) by ellipsometry
DOI:10.1103/PhysRevB.86.125128 JN:PHYSICAL REVIEW B PY:2012 TC:7 AU: Reul, J.;Nugroho, A. A.;Palstra, T. T. M.;Grueninger, M.;
7:3:95:2 Temperature-dependent optical conductivity of layered LaSrFeO4
DOI:10.1103/PhysRevB.87.205142 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Reul, J.;Fels, L.;Qureshi, N.;Shportko, K.;Braden, M.;Grueninger, M.;
7:3:95:3 Direct probe of Mott-Hubbard to charge-transfer insulator transition and electronic structure evolution in transition-metal systems
DOI:10.1103/PhysRevB.83.241102 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Olalde-Velasco, P.;Jimenez-Mier, J.;Denlinger, J. D.;Hussain, Z.;Yang, W. L.;
7:3:95:4 First-principles study of magnetoelastic effect in the difluoride compounds MF2 (M = Mn, Fe, Co, Ni)
DOI:10.1103/PhysRevB.86.054422 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Das, Hena;Kanungo, Sudipta;Saha-Dasgupta, T.;
7:3:95:5 Atomic multiplets at the L-2,L-3 edge of 3d transition metals and the ligand K edge in x-ray absorption spectroscopy of ionic systems
DOI:10.1103/PhysRevB.87.245136 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Olalde-Velasco, P.;Jimenez-Mier, J.;Denlinger, J.;Yang, W. -L.;
7:3:95:6 First-principles study of magnetoelastic effect in the difluoride compounds MF2 (M = Mn, Fe, Co, Ni) (vol 86, 054422, 2012)
DOI:10.1103/PhysRevB.87.059902 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Das, Hena;Kanungo, Sudipta;Saha-Dasgupta, T.;
7:3:96:1 Artificial Construction of the Layered Ruddlesden-Popper Manganite La2Sr2Mn3O10 by Reflection High Energy Electron Diffraction Monitored Pulsed Laser Deposition
DOI:10.1021/ja211138x JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2012 TC:4 AU: Palgrave, Robert G.;Borisov, Pavel;Dyer, Matthew S.;McMitchell, Sean R. C.;Darling, George R.;Claridge, John B.;Batuk, Maria;Tan, Haiyan;Tian, He;Verbeeck, Jo;Hadermann, Joke;Rosseinsky, Matthew J.;
7:3:96:2 Cation-ordering effects in the single layered manganite La2/3Sr4/3MnO4
DOI:10.1063/1.3554387 JN:APPLIED PHYSICS LETTERS PY:2011 TC:7 AU: Nelson-Cheeseman, B. B.;Shah, A. B.;Santos, T. S.;Bader, S. D.;Zuo, J. -M.;Bhattacharya, A.;
7:3:96:3 Polar Cation Ordering: A Route to Introducing > 10% Bond Strain Into Layered Oxide Films
DOI:10.1002/adfm.201401077 JN:ADVANCED FUNCTIONAL MATERIALS PY:2014 TC:5 AU: Nelson-Cheeseman, Brittany B.;Zhou, Hua;Balachandran, Prasanna V.;Fabbris, Gilberto;Hoffman, Jason;Haskel, Daniel;Rondinelli, James M.;Bhattacharya, Anand;
7:3:96:4 Strain engineering in epitaxial La1-xSr1+xMnO4 thin films
DOI:10.1063/1.4790654 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Vafaee, Mehran;Baghaie Yazdi, Mehrdad;Radetinac, Aldin;Cherkashinin, Gennady;Komissinskiy, Philipp;Alff, Lambert;
7:3:96:5 Atomic-layer synthesis and imaging uncover broken inversion symmetry in La2-xSrxCuO4 films
DOI:10.1103/PhysRevB.87.014108 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Yacoby, Yizhak;Zhou, Hua;Pindak, Ron;Bozovic, Ivan;
7:3:97:1 Sr flux stability against oxidation in oxide-molecular-beam-epitaxy environment: Flux, geometry, and pressure dependence
DOI:10.1116/1.3298880 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A PY:2010 TC:7 AU: Kim, Y. S.;Bansal, Namrata;Chaparro, Carlos;Gross, Heiko;Oh, Seongshik;
7:3:97:2 Self-corrected sensors based on atomic absorption spectroscopy for atom flux measurements in molecular beam epitaxy
DOI:10.1063/1.4873544 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Du, Y.;Droubay, T. C.;Liyu, A. V.;Li, G.;Chambers, S. A.;
7:3:97:3 Crucible aperture: An effective way to reduce source oxidation in oxide molecular beam epitaxy process
DOI:10.1116/1.3449051 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A PY:2010 TC:4 AU: Kim, Yong-Seung;Bansal, Namrata;Oh, Seongshik;
7:3:97:4 Etalon-induced baseline drift and correction in atom flux sensors based on atomic absorption spectroscopy
DOI:10.1063/1.4898638 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Du, Yingge;Chambers, Scott A.;
7:3:97:5 Simple self-gettering differential-pump for minimizing source oxidation in oxide-MBE environment
DOI:10.1116/1.3591384 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A PY:2011 TC:1 AU: Kim, Yong-Seung;Bansal, Namrata;Oh, Seongshik;
7:3:98:1 Phase transitions in [001]-oriented morphotropic PbZr0.52Ti0.48O3 thin film deposited onto SrTiO3-buffered Si substrate
DOI:10.1063/1.4881818 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Shi, Yin;Cueff, M.;Niu, Gang;Le Rhun, G.;Vilquin, B.;Saint Girons, G.;Bachelet, R.;Gautier, B.;Robach, Y.;Gemeiner, P.;Guiblin, N.;Defay, E.;Dkhil, B.;
7:3:98:2 Sol-gel deposition and piezoelectric properties of {110}-oriented Pb(Zr0.52Ti0.48)O-3 thin films
DOI:10.1063/1.3293446 JN:APPLIED PHYSICS LETTERS PY:2010 TC:8 AU: Ambika, D.;Kumar, Viswanathan;Imai, Hideyuki;Kanno, Isaku;
7:3:98:3 Phase-formation, microstructure, and piezoelectric/dielectric properties of BiYO3-doped Pb(Zr0.53Ti0.47)O-3 for piezoelectric energy harvesting devices
DOI:10.1016/j.ceramint.2013.04.031 JN:CERAMICS INTERNATIONAL PY:2013 TC:2 AU: Yoon, Man-Soon;Mahmud, Iqbal;Ur, Soon-Chul;
7:3:98:4 Vibration energy harvesting using highly (001)-oriented Pb(Zr, Ti)O(3) thin film
DOI:10.1063/1.3406253 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:20 AU: Harigai, Takakiyo;Adachi, Hideaki;Fujii, Eiji;
7:3:98:5 Temperature dependence of the transverse piezoelectric coefficient of thin films and aging effects
DOI:10.1063/1.4862045 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Rossel, C.;Sousa, M.;Abel, S.;Caimi, D.;Suhm, A.;Abergel, J.;Le Rhun, G.;Defay, E.;
7:3:98:6 Preparation of PZT-based piezoceramics with transgranular fracture mode
DOI:10.1016/j.ceramint.2011.04.088 JN:CERAMICS INTERNATIONAL PY:2012 TC:2 AU: Yue, Rui-fang;He, Wen-ze;An, Fei-fei;Yu, Jian;Chen, Guo-chao;
7:3:98:7 Influence of lithium doping on the structural and electrical characteristics of ZnO thin films
DOI:10.1016/j.tsf.2012.04.036 JN:THIN SOLID FILMS PY:2012 TC:2 AU: Johny, T. Anto;Kumar, Viswanathan;Imai, Hideyuki;Kanno, Isaku;
7:3:99:1 Probing bonding and electronic structure at atomic resolution with spectroscopic imaging
DOI:10.1557/mrs.2011.336 JN:MRS BULLETIN PY:2012 TC:7 AU: Botton, Gianluigi A.;
7:3:99:2 Element Specific Monolayer Depth Profiling
DOI:10.1002/adma.201402028 JN:ADVANCED MATERIALS PY:2014 TC:1 AU: Macke, Sebastian;Radi, Abdullah;Hamann-Borrero, Jorge E.;Verna, Adriano;Bluschke, Martin;Brueck, Sebastian;Goering, Eberhard;Sutarto, Ronny;He, Feizhou;Cristiani, Georg;Wu, Meng;Benckiser, Eva;Habermeier, Hanns-Ulrich;Logvenov, Gennady;Gauquelin, Nicolas;Botton, Gianluigi A.;Kajdos, Adam P.;Stemmer, Susanne;Sawatzky, George A.;Haverkort, Maurits W.;Keimer, Bernhard;Hinkov, Vladimir;
7:3:99:3 Local electronic structure analysis for brownmillerite Ca(Sr)FeO2.5 using site-resolved energy-loss near-edge structures
DOI:10.1063/1.3610526 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Haruta, M.;Kurata, H.;Matsumoto, K.;Inoue, S.;Shimakawa, Y.;Isoda, S.;
7:3:99:4 OXIDE INTERFACES Instrumental insights
DOI:10.1038/nmat3425 JN:NATURE MATERIALS PY:2012 TC:1 AU: Rondinelli, James M.;May, Steven J.;
7:3:100:1 Pt-induced nanowires on Ge(001): A density functional theory study
DOI:10.1103/PhysRevB.81.085410 JN:PHYSICAL REVIEW B PY:2010 TC:14 AU: Vanpoucke, Danny E. P.;Brocks, Geert;
7:3:100:2 Atomic configuration and phase transition of Pt-induced nanowires on a Ge(001) surface studied using scanning tunneling microscopy, reflection high-energy positron diffraction, and angle-resolved photoemission spectroscopy
DOI:10.1103/PhysRevB.85.245438 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Mochizuki, Izumi;Fukaya, Yuki;Kawasuso, Atsuo;Yaji, Koichiro;Harasawa, Ayumi;Matsuda, Iwao;Wada, Ken;Hyodo, Toshio;
7:3:100:3 Fermi gas behavior of a one-dimensional metallic band of Pt-induced nanowires on Ge(001)
DOI:10.1103/PhysRevB.87.241413 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Yaji, K.;Mochizuki, I.;Kim, S.;Takeichi, Y.;Harasawa, A.;Ohtsubo, Y.;Le Fevre, P.;Bertran, F.;Taleb-Ibrahimi, A.;Kakizaki, A.;Komori, F.;
7:3:100:4 CO adsorption on Pt-induced Ge nanowires
DOI:10.1103/PhysRevB.81.235434 JN:PHYSICAL REVIEW B PY:2010 TC:5 AU: Vanpoucke, Danny E. P.;Brocks, Geert;
7:3:100:5 Density functional theory study of Pt-induced Ge(001) reconstructions
DOI:10.1103/PhysRevB.81.035333 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Vanpoucke, Danny E. P.;Brocks, Geert;
7:3:100:6 First-principles investigation of CO adsorption on Pt/Ge(001)-(4 x 2)
DOI:10.1016/j.commatsci.2010.06.043 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2010 TC:1 AU: Krivosheeva, A. V.;Sanna, S.;Schmidt, W. G.;
7:3:101:1 Magnetic, transport, and structural properties of SrRuO3 thin films
DOI:10.1063/1.4868333 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Majcher, A. M.;Rode, K.;Coey, J. M. D.;Stamenov, P.;
7:3:101:2 Fermi level spin polarization of polycrystalline thulium by point contact Andreev reflection spectroscopy
DOI:10.1063/1.3554254 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Stamenov, P.;Coey, J. M. D.;
7:3:101:3 Point Contact Andreev Reflection from Erbium: The role of external magnetic field and the sign of the spin polarization
DOI:10.1063/1.3679451 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Stamenov, P.;
7:3:101:4 High field magnetotransport and point contact Andreev reflection measurements on CuCr2Se4 and CuCr2Se3Br-Degenerate magnetic semiconductor single crystals
DOI:10.1063/1.4861683 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Borisov, K.;Alaria, J.;Coey, J. M. D.;Stamenov, P.;
7:3:101:5 Point contact Andreev reflection from semimetallic bismuth-The roles of the minority carriers and the large spin-orbit coupling
DOI:10.1063/1.4796049 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Stamenov, P.;
7:3:101:6 Magnetic, transport, and structural properties of SrRuO3 thin films (vol 115, 17C735, 2014)
DOI:10.1063/1.4871336 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Majcher, A. M.;Rode, K.;Coey, J. M. D.;Stamenov, P.;
7:3:102:1 Complex phase separation in La0.6Ca0.4MnO3 films revealed by electron spin resonance
DOI:10.1103/PhysRevB.83.184404 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Tovstolytkin, A. I.;Dzyublyuk, V. V.;Podyalovskii, D. I.;Moya, X.;Israel, C.;Sanchez, D.;Vickers, M. E.;Mathur, N. D.;
7:3:102:2 Strain induced magnetic domain evolution and spin reorientation transition in epitaxial manganite films
DOI:10.1063/1.4734732 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Singh, Gyanendra;Rout, P. K.;Porwal, Rajni;Budhani, R. C.;
7:3:102:3 Structural first-order transformation in La2/3Ba1/3MnO3: ESR study
DOI:10.1016/j.jmmm.2012.07.054 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:1 AU: Polishchuk, D. M.;Tovstolytkin, A. I.;Fertman, Elena;Desnenko, Vladimir;Beznosov, Anatoly;Kajnakova, Marcela;Feher, Alexander;
7:3:102:4 Ferromagnetic resonance in strained and relaxed regions of (La,Na)MnO3/LaAlO3 (001) films
DOI:10.1016/j.jmmm.2013.03.024 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:1 AU: Polishchuk, D. M.;Pod'yalovskii, D. I.;Matviyenko, A. I.;Tovstolytkin, A. I.;Zakharenko, M. I.;Semen'ko, M. P.;
7:3:102:5 Detection of structural and magnetic transitions in La0.67Ba0.23Ca0.1MnO3 using the rf resonance technique
DOI:10.1016/j.jmmm.2010.04.021 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:1 AU: Naik, V. B.;Lam, M. C.;Mahendiran, R.;
7:3:103:1 Controlling the Percolation Threshold of Conductor-Insulator Composites by Changing the Granular Size of Insulators
DOI:10.2320/matertrans.M2010019 JN:MATERIALS TRANSACTIONS PY:2010 TC:4 AU: Shida, Kazuhito;Sahara, Ryoji;Tripathi, M. N.;Mizuseki, Hiroshi;Kawazoe, Yoshiyuki;
7:3:103:2 Controlling the Percolation Threshold of Conductor-Insulator Composites in a 2D Triangular Lattice by Introducing Binary Size Distributions of Conductor Particles
DOI:10.2320/matertrans.M2012029 JN:MATERIALS TRANSACTIONS PY:2012 TC:2 AU: Shida, Kazuhito;Sahara, Ryoji;Mizuseki, Hiroshi;Kawazoe, Yoshiyuki;
7:3:103:3 Controlling 3D Percolation Threshold of Conductor-Insulator Composites by Changing the Granular Size of Insulators
DOI:10.2320/matertrans.M2012227 JN:MATERIALS TRANSACTIONS PY:2013 TC:1 AU: Shida, Kazuhito;Sahara, Ryoji;Mizuseki, Hiroshi;Kawazoe, Yoshiyuki;
7:3:103:4 Conductivity Percolation on a Square Lattice with Core-Shell Particles
DOI:10.2320/matertrans.M2009329 JN:MATERIALS TRANSACTIONS PY:2010 TC:3 AU: Shida, Kazuhito;Sahara, Ryoji;Tripathi, M. N.;Mizuseki, Hiroshi;Kawazoe, Yoshiyuki;
7:3:103:5 Controlling 3D Percolation Threshold of Conductor-Insulator Composites by Changing the Granular Size of Conductors
DOI:10.2320/matertrans.M2011176 JN:MATERIALS TRANSACTIONS PY:2011 TC:1 AU: Shida, Kazuhito;Sahara, Ryoji;Mizuseki, Hiroshi;Kawazoe, Yoshiyuki;
7:3:103:6 Conductivity Percolation on a Cubic Lattice with Core-Shell Particles
DOI:10.2320/matertrans.M2010412 JN:MATERIALS TRANSACTIONS PY:2011 TC:0 AU: Shida, Kazuhito;Sahara, Ryoji;Tripathi, M. N.;Mizuseki, Hiroshi;Kawazoe, Yoshiyuki;
7:3:103:7 Conductivity Percolation on a Cubic Lattice with Two Different Sizes of Particles
DOI:10.2320/matertrans.M2010310 JN:MATERIALS TRANSACTIONS PY:2011 TC:1 AU: Shida, Kazuhito;Sahara, Ryoji;Tripathi, M. N.;Mizuseki, Hiroshi;Kawazoe, Yoshiyuki;
7:3:104:1 Crystal Structure and Microwave Dielectric Properties of LaLuO3 Ceramics
DOI:10.1111/j.1551-2916.2010.03930.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:5 AU: Varghese, Jobin;Joseph, Tony;Sebastian, Mailadil Thomas;Reeves-McLaren, Nik;Feteira, Antonio;
7:3:104:2 Growth-mode induced defects in epitaxial SrTiO3 thin films grown on single crystal LaAlO3 by a two-step PLD process
DOI:10.1557/jmr.2010.82 JN:JOURNAL OF MATERIALS RESEARCH PY:2011 TC:7 AU: Su, Dong;Yamada, Tomoaki;Gysel, Roman;Tagantsev, Alexander K.;Muralt, Paul;Setter, Nava;Jiang, Nan;
7:3:104:3 Electrical properties of BaTiO3 based ferroelectric capacitors grown on oxide sacrificial layers for micro-cantilevers applications
DOI:10.1016/j.tsf.2011.11.032 JN:THIN SOLID FILMS PY:2012 TC:5 AU: Vasta, Giuseppe;Jackson, Timothy J.;Tarte, Edward;
7:3:104:4 Thin film LaYbO3 capacitive structures grown by pulsed laser deposition
DOI:10.1016/j.tsf.2012.12.006 JN:THIN SOLID FILMS PY:2013 TC:0 AU: Vasta, Giuseppe;Feteira, Antonio;Woodward, David I.;Walker, David;Thomas, Pam A.;Jackson, Timothy J.;
7:3:104:5 Synthesis, characterization, and dielectric properties of low loss LaBO3 ceramics
DOI:10.1016/j.jeurceramsoc.2013.07.005 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:1 AU: Chen, Xingyu;Bai, Shuxin;Li, Ming;Zhang, Weijun;
7:3:104:6 Electrical properties of BaTiO3 based ferroelectric capacitors grown on oxide sacrificial layers for micro-cantilevers applications (vol 520, pg 3071, 2012)
DOI:10.1016/j.tsf.2012.02.007 JN:THIN SOLID FILMS PY:2012 TC:0 AU: Vasta, Giuseppe;Jackson, Timothy J.;Tarte, Edward;
7:3:105:1 On-line phase transitions of bulk and nanocrystalline La1-xPbxMnO3 (x=0.3, 0.4, and 0.5) perovskite manganite materials using ultrasonic measurements
DOI:10.1016/j.matchemphys.2012.12.023 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2013 TC:0 AU: Sakthipandi, K.;Rajendran, V.;
7:3:105:2 Band alignment at Cu2O/La0.7Sr0.3MnO3 interface: A combined experimental-theoretical determination
DOI:10.1063/1.3467206 JN:APPLIED PHYSICS LETTERS PY:2010 TC:5 AU: Cantoni, M.;Petti, D.;Bertacco, R.;Pallecchi, I.;Marre, D.;Colizzi, G.;Filippetti, A.;Fiorentini, V.;
7:3:105:3 Cu2O as a nonmagnetic semiconductor for spin transport in crystalline oxide electronics
DOI:10.1103/PhysRevB.81.165311 JN:PHYSICAL REVIEW B PY:2010 TC:3 AU: Pallecchi, I.;Pellegrino, L.;Banerjee, N.;Cantoni, M.;Gadaleta, A.;Siri, A. S.;Marre, D.;
7:3:105:4 Magneto-optical Kerr-effect studies on copper oxide thin films produced by atomic layer deposition on SiO2
DOI:10.1016/j.tsf.2011.10.204 JN:THIN SOLID FILMS PY:2012 TC:3 AU: Fronk, Michael;Mueller, Steve;Waechtler, Thomas;Schulz, Stefan E.;Mothes, Robert;Lang, Heinrich;Zahn, Dietrich R. T.;Salvan, Georgeta;
7:3:106:1 Mott p-n junctions in layered materials
DOI:10.1103/PhysRevB.87.035137 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Charlebois, M.;Hassan, S. R.;Karan, R.;Senechal, D.;Tremblay, A. -M. S.;
7:3:106:2 Anomalous enhancement of the superconducting transition temperature of electron-doped La2-xCexCuO4 and Pr2-xCexCuO4 cuprate heterostructures
DOI:10.1103/PhysRevB.83.060511 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Jin, K.;Bach, P.;Zhang, X. H.;Grupel, U.;Zohar, E.;Diamant, I.;Dagan, Y.;Smadici, S.;Abbamonte, P.;Greene, R. L.;
7:3:106:3 Superconducting junctions from doped nonsuperconducting CuO2 layers
DOI:10.1103/PhysRevB.83.132505 JN:PHYSICAL REVIEW B PY:2011 TC:1 AU: Loktev, V. M.;Pogorelov, Yu. G.;
7:3:107:1 Magnetoresistance in epitaxial thin films of La0.85Ag0.15MnO3 produced by polymer assisted deposition
DOI:10.1063/1.3629993 JN:APPLIED PHYSICS LETTERS PY:2011 TC:6 AU: Cobas, R.;Munoz-Perez, S.;Cadogan, J. M.;Puig, T.;Obradors, X.;
7:3:107:2 Misfit relaxation of La0.7Sr0.3MnO3 thin films by a nanodot segregation mechanism
DOI:10.1063/1.3549182 JN:APPLIED PHYSICS LETTERS PY:2011 TC:6 AU: Abellan, P.;Moreno, C.;Sandiumenge, F.;Obradors, X.;Casanove, M-J.;
7:3:107:3 A-site disorder effects in electron-doped manganite La0.4Ca0.6MnO3
DOI:10.1007/s00339-010-6019-z JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2011 TC:4 AU: Hu, N.;Lu, C. L.;Wang, K. F.;Cheng, L.;Liu, Y.;Liu, J-M.;Xiong, R.;Shi, J.;
7:3:107:4 Dynamical transport behavior in electron-doped manganites La0.4Ca0.6(Mn1-x Ru (x) )O-3
DOI:10.1007/s00339-010-5844-4 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:1 AU: Lu, C. L.;Hu, N.;Wang, K. F.;Yan, Z. B.;Liu, J. -M.;
7:3:108:1 Study of magnetization reversal processes in a thin Co film
DOI:10.1016/j.jmmm.2013.02.009 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:7 AU: Chowdhury, N.;Bedanta, S.;Babu, G. S.;
7:3:108:2 High magnetic field induced pillar growth and subsequent magnetic properties of the thermal evaporated Co thin films
DOI:10.1016/j.matlet.2014.06.162 JN:MATERIALS LETTERS PY:2014 TC:8 AU: Li, Guojian;Du, Jiaojiao;Wang, Huimin;Wang, Qiang;Ma, Yonghui;He, Jicheng;
7:3:108:3 Anomalous magnetic field effects during pulsed injection metal-organic chemical vapor deposition of magnetite films
DOI:10.1063/1.3418622 JN:APPLIED PHYSICS LETTERS PY:2010 TC:4 AU: Zukova, Anna;Teiserskis, Arunas;Gun'ko, Y. K.;Sanchez, Ana M.;van Dijken, Sebastiaan;
7:3:108:4 Structural and morphological modifications of the Co-thin films caused by magnetic field and pH variation
DOI:10.1016/j.apsusc.2012.05.074 JN:APPLIED SURFACE SCIENCE PY:2012 TC:5 AU: Franczak, Agnieszka;Levesque, Alexandra;Bohr, Frederic;Douglade, Jacques;Chopart, Jean-Paul;
7:3:109:1 Coexistence of superparamagnetism and ferromagnetism in Co-doped ZnO nanocrystalline films
DOI:10.1016/j.scriptamat.2013.08.007 JN:SCRIPTA MATERIALIA PY:2013 TC:4 AU: Li, Qiang;Wang, Yuyin;Fan, Lele;Liu, Jiandang;Kong, Wei;Ye, Bangjiao;
7:3:109:2 Structure and magnetic properties of three-dimensional (La, Sr)MnO3 nanofilms on ZnO nanorod arrays
DOI:10.1063/1.3567544 JN:APPLIED PHYSICS LETTERS PY:2011 TC:12 AU: Gao, Haiyong;Staruch, M.;Jain, Menka;Gao, Pu-Xian;Shimpi, Paresh;Guo, Yanbing;Cai, Wenjie;Lin, Hui-jan;
7:3:109:3 Defect-induced ferromagnetism on pulsed laser ablated Zn0.95Co0.05O diluted magnetic semiconducting thin films
DOI:10.1063/1.3610447 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Liu, Q.;Yuan, C. L.;Gan, C. L.;Han, Guchang;
7:3:110:1 Numerical ellipsometry: High accuracy modeling of thin absorbing films in the n-k plane
DOI:10.1016/j.tsf.2014.03.067 JN:THIN SOLID FILMS PY:2014 TC:1 AU: Urban, F. K., III;Barton, D.;
7:3:110:2 Numerical ellipsometry: Analysis of thin metal layers using n-k-d twisted curve methods with multiple incidence angles
DOI:10.1116/1.3439679 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A PY:2010 TC:5 AU: Urban, F. K., III;Barton, D.;Tiwald, T.;
7:3:110:3 Numerical ellipsometry: n-k plane analysis of transparent conducting films
DOI:10.1116/1.3589803 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A PY:2011 TC:1 AU: Barton, D.;Urban, F. K., III;
7:3:110:4 Numerical ellipsometry: Advanced analysis of thin absorbing films in the n-k plane
DOI:10.1016/j.tsf.2011.03.133 JN:THIN SOLID FILMS PY:2011 TC:2 AU: Urban, F. K., III;Barton, D.;
7:3:111:1 Preparation and investigation of the A-site and B-site terminated SrTiO3(001) surface: A combined experimental and theoretical x-ray photoelectron diffraction study
DOI:10.1063/1.4757283 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Raisch, C.;Chasse, T.;Langheinrich, Ch;Chasse, A.;
7:3:111:2 Ferroelectricity in a quasiamorphous ultrathin BaTiO3 film
DOI:10.1103/PhysRevB.84.205426 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Wang, J. L.;Pancotti, A.;Jegou, P.;Niu, G.;Gautier, B.;Mi, Y. Y.;Tortech, L.;Yin, S.;Vilquin, B.;Barrett, N.;
7:3:111:3 X-ray photoelectron diffraction study of dopant effects in La0.7X0.3MnO3 (X = La, Sr, Ca, Ce) thin films
DOI:10.1063/1.4789988 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Raisch, C.;Langheinrich, C.;Werner, R.;Kleiner, R.;Koelle, D.;Glaser, M.;Chasse, T.;Chasse, A.;
7:3:112:1 Observation of large magnetodielectric and direct magnetoelectric behavior in LCMO/PVDF 0-3 nanocomposites (Retracted article. See vol. 105, 239901, 2014)
DOI:10.1063/1.4793307 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Bhadra, Debabrata;Masud, Md. G.;De, S. K.;Chaudhuri, B. K.;
7:3:112:2 Observation of large magnetodielectric and direct magnetoelectric behavior in LCMO/PVDF 0-3 nanocomposites (Retraction of vol 102, 072902, 2013)
DOI:10.1063/1.4902333 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Bhadra, Debabrata;Masud, Md. G.;De, S. K.;Chaudhuri, B. K.;
7:3:113:1 Ultimate photovoltage in perovskite oxide heterostructures with critical film thickness
DOI:10.1063/1.3586250 JN:APPLIED PHYSICS LETTERS PY:2011 TC:10 AU: Wang, Cong;Jin, Kui-juan;Zhao, Rui-qiang;Lu, Hui-bin;Guo, Hai-zhong;Ge, Chen;He, Meng;Wang, Can;Yang, Guo-zhen;
7:3:113:2 A theoretical study on the dynamic process of the lateral photovoltage in perovskite oxide heterostructures
DOI:10.1063/1.3313943 JN:APPLIED PHYSICS LETTERS PY:2010 TC:4 AU: Liao, Leng;Jin, Kui-juan;Ge, Chen;Hu, Chun-lian;Lu, Hui-bin;Yang, Guo-zhen;
7:3:113:3 A case study on the scaling of 1/f noise: La2/3Sr1/3MnO3 Thin films
DOI:10.1063/1.4794202 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Kazakov, Kirill A.;
7:3:113:4 Comment on "A case study on the scaling of 1/f noise: La2/3Sr1/3MnO3 thin films" [J. Appl. Phys. 113, 094901 (2013)]
DOI:10.1063/1.4868864 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Barone, C.;Pagano, S.;Mechin, L.;Guillet, B.;Routoure, J. -M.;
7:3:113:5 Improved lateral photovoltaic effect of Ti and carbon films by interface modification with single-walled carbon nanotubes
DOI:10.1063/1.4862398 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Lu, Jing;Wang, Hui;
7:3:114:1 Structural and electrical properties of LaNiO3 thin films grown on (100) and (001) oriented SrLaAlO4 substrates by chemical solution deposition method
DOI:10.1016/j.ceramint.2013.03.072 JN:CERAMICS INTERNATIONAL PY:2013 TC:3 AU: Pontes, D. S. L.;Pontes, F. M.;Pereira-da-Silva, Marcelo A.;Berenkue, O. M.;Chiquito, A. J.;Longo, E.;
7:3:114:2 Microstructural and magnetotransport properties of La1-xCaxMnO3 (0.45 <= x <= 0.60) thin films
DOI:10.1016/j.jallcom.2012.03.111 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:2 AU: Kumar, Pawan;Prasad, R.;Srivastava, A. K.;Vijayan, N.;Dwivedi, R. K.;Singh, H. K.;
7:3:114:3 Strain induced phase separation on La0.5Ca0.5MnO3 thin films
DOI:10.1016/j.jmmm.2010.10.030 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:4 AU: Antonakos, A.;Liarokapis, E.;Aydogdu, G. H.;Habermeier, H. -U.;
7:3:114:4 Pulsed laser deposition of highly textured La5Ca9Cu24O41 films on SrLaAlO4 (100) and Gd3Ga5O12 (100) substrates
DOI:10.1016/j.apsusc.2012.02.145 JN:APPLIED SURFACE SCIENCE PY:2012 TC:2 AU: Pervolaraki, M.;Pasuk, I.;Stan, G. E.;Giapintzakis, J.;
7:3:115:1 Neutron powder diffraction and magnetic studies of mesoporous Co3O4
DOI:10.1016/j.jmmm.2010.09.006 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:7 AU: Hill, Adrian H.;Harrison, Andrew;Ritter, Clemens;Yue, Wenbo;Zhou, Wuzong;
7:3:115:2 Field-dependent low-field enhancement in effective paramagnetic moment with nanoscaled Co3O4
DOI:10.1063/1.3475249 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:10 AU: Chen, Weimeng;Chen, Chinping;Guo, Lin;
7:3:115:3 Magnetic properties of cobalt oxide nanoparticles synthesised by a continuous hydrothermal method
DOI:10.1016/j.jmmm.2013.07.064 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:4 AU: Moro, Fabrizio;Tang, Selina Vi Yu;Tuna, Floriana;Lester, Edward;
7:3:116:1 Growth and structural characterization of orthorhombic and tetragonal SrCuO2 thin films
DOI:10.1016/j.apsusc.2012.12.029 JN:APPLIED SURFACE SCIENCE PY:2013 TC:1 AU: Mihailescu, C. N.;Pasuk, I.;Athanasopoulos, G. I.;Luculescu, C.;Socol, M.;Saint-Martin, R.;Revcolevschi, A.;Giapintzakis, J.;
7:3:116:2 Origin of the stabilization of the metastable tetragonal high-pressure phase in SrCuO2 thin films grown on SrTiO3 substrates by pulsed laser deposition
DOI:10.1016/j.apsusc.2014.09.116 JN:APPLIED SURFACE SCIENCE PY:2014 TC:0 AU: Mihailescu, C. N.;Pasuk, I.;Straticiuc, M.;Nita, C. R.;Pantelica, D.;Giapintzakis, J.;
7:3:116:3 Structural properties of epitaxial SrCuO2 thin films on SrTiO3 (001) substrates
DOI:10.1016/j.tsf.2010.10.047 JN:THIN SOLID FILMS PY:2011 TC:4 AU: Mi, Shao-Bo;
7:3:117:1 Low thermal conductivity of CsBiNb2O7 epitaxial layers
DOI:10.1063/1.3368120 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Cahill, David G.;Melville, Alexander;Schlom, Darrell G.;Zurbuchen, Mark A.;
7:3:117:2 Determination of the thermal conductivity tensor of the n=7 Aurivillius phase Sr4Bi4Ti7O24
DOI:10.1063/1.4733616 JN:APPLIED PHYSICS LETTERS PY:2012 TC:0 AU: Zurbuchen, M. A.;Cahill, D. G.;Schubert, J.;Jia, Y.;Schlom, D. G.;
7:3:118:1 Interplay between magnetic impurities and photoinduced carriers in surface depletion layer of anatase Ti1-xCoxO2-delta thin film probed by x-ray photoemission spectroscopy
DOI:10.1063/1.3291680 JN:APPLIED PHYSICS LETTERS PY:2010 TC:6 AU: Yamashita, N.;Sudayama, T.;Mizokawa, T.;Yamada, Y.;Fukumura, T.;Kawasaki, M.;
7:3:118:2 Valence instability and photochemical reaction at surface of strongly correlated MgTi2O4
DOI:10.1063/1.4818355 JN:APL MATERIALS PY:2013 TC:1 AU: Fujiwara, H.;Ishige, Y.;Mizokawa, T.;Sasaki, T.;Isobe, M.;Ueda, Y.;
7:3:118:3 Nondestructive estimation of depletion layer profile in Nb-doped SrTiO3/(La,Ba)MnO3 heterojunction diode structure by hard x-ray photoemission spectroscopy
DOI:10.1063/1.3571454 JN:APPLIED PHYSICS LETTERS PY:2011 TC:2 AU: Tanaka, Hidekazu;Satoh, Issei;Kanki, Teruo;Ikenaga, Eiji;Kobata, Masaaki;Kim, Jung Jin;Ueda, Shigenori;Kobayashi, Keisuke;
7:3:119:1 Polaron absorption for photovoltaic energy conversion in a manganite-titanate pn heterojunction
DOI:10.1103/PhysRevB.85.165315 JN:PHYSICAL REVIEW B PY:2012 TC:9 AU: Saucke, Gesine;Norpoth, Jonas;Jooss, Christian;Su, Dong;Zhu, Yimei;
7:3:119:2 Evidence of mobile carriers with charge-ordering gap in epitaxial Pr0.625Ca0.375MnO3 thin films
DOI:10.1103/PhysRevB.81.155120 JN:PHYSICAL REVIEW B PY:2010 TC:2 AU: Singh, Udai Raj;Chaudhuri, S.;Dutta, Anirban;Budhani, R. C.;Gupta, Anjan K.;
7:3:119:3 Polaron absorption for photovoltaic energy conversion in a manganite-titanate pn heterojunction (vol 85, 165315, 2012)
DOI:10.1103/PhysRevB.87.119908 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Saucke, Gesine;Norpoth, Jonas;Jooss, Christian;Su, Dong;Zhu, Yimei;
7:3:119:4 Wet chemical deposition of single crystalline epitaxial manganite thin films with atomically flat surface
DOI:10.1016/j.tsf.2013.01.107 JN:THIN SOLID FILMS PY:2013 TC:0 AU: Mishra, Amita;Dutta, Anirban;Samaddar, Sayanti;Gupta, Anjan K.;
7:3:120:1 Effects of Nb doping level on the electronic transport, photoelectric effect and magnetoresistance across La0.5Ca0.5MnO3/Nb:SrTiO3 junctions
DOI:10.1063/1.4851076 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Wang, J. F.;Jiang, Y. C.;Chen, M. G.;Gao, J.;
7:3:120:2 Photoelectric effects and magnetic responses in highly rectifying Nd0.7Sr0.3MnO3/Nb-SrTiO3 heterojunctions
DOI:10.1063/1.3540675 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Wang, J. F.;Gao, J.;
7:3:120:3 Influences of leakage currents on the transport properties and photoelectric effects in heterojunctions composed of colossal magnetoresistance manganites and Nb-doped titanates
DOI:10.1063/1.3679413 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Wang, J. F.;Wu, Z. P.;Gao, J.;
7:3:121:1 Transport and spectroscopic properties of superconductor/ferromagnet/superconductor junctions of La1.9Sr0.1CuO4/La0.67Ca0.33MnO3/La1.9Sr0.1CuO4
DOI:10.1103/PhysRevB.84.134517 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Koren, G.;Kirzhner, T.;
7:3:121:2 Interface effects in d-wave superconductor-ferromagnet junctions in the vicinity of domain walls
DOI:10.1103/PhysRevB.82.134507 JN:PHYSICAL REVIEW B PY:2010 TC:4 AU: Kirzhner, T.;Koren, G.;
7:3:121:3 Observation of Two Andreev-Like Energy Scales in La2-xSrxCuO4 Superconductor-Normal-Metal-Superconductor Junctions
DOI:10.1103/PhysRevLett.106.017002 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:3 AU: Koren, G.;Kirzhner, T.;
7:3:122:1 Structural-modulation-driven low-temperature glassy behavior in SrRuO3
DOI:10.1103/PhysRevB.85.224426 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Sow, Chanchal;Samal, D.;Kumar, P. S. Anil;Bera, A. K.;Yusuf, S. M.;
7:3:122:2 Probing a spin-glass state in SrRuO3 thin films through higher-order statistics of resistance fluctuations
DOI:10.1103/PhysRevB.90.115153 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Daptary, Gopi Nath;Sow, Chanchal;Kumar, P. S. Anil;Bid, Aveek;
7:3:122:3 Freezing of the octahedral tilt near ferromagnetic transition and appearance of a glassy phase at low temperature driven by the tilt instabilities in SrRuO3
DOI:10.1063/1.4795125 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Sow, Chanchal;Samal, D.;Kumar, P. S. Anil;Bera, A. K.;Yusuf, S. M.;
7:3:123:1 Resistance switching effect in LaAlO3/Nb-doped SrTiO3 heterostructure
DOI:10.1007/s00339-011-6276-5 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2011 TC:10 AU: Tian, H. F.;Zhao, Y. G.;Jiang, X. L.;Shi, J. P.;Zhang, H. J.;Sun, J. R.;
7:3:123:2 Rectifying and photovoltage characteristics of Bi2Sr2Co2Oy/Nb-doped SrTiO3 heterojunction
DOI:10.1007/s00339-011-6551-5 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2011 TC:1 AU: Wang, Shufang;Li, Huiling;Zhao, Kun;Zhao, Songqing;Chen, Mingjing;Chen, Jingchun;Wang, Jianglong;Fu, Guangsheng;
7:3:124:1 Frequency dependent electrical characteristics of BiFeO3 MOS capacitors
DOI:10.1016/j.jallcom.2013.08.204 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:10 AU: Kaya, Senol;Lok, Ramazan;Aktag, Aliekber;Seidel, Jan;Yilmaz, Ercan;
7:3:124:2 Frequency and voltage dependency of interface states and series resistance in Al/SiO2/p-Si MOS structure
DOI:10.1016/j.mssp.2011.05.009 JN:MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING PY:2010 TC:11 AU: Xiao, Hong;Huang, Shihua;
7:3:124:3 Electrical characterization of ethanol sensing device based on Vanadium oxide/Porous Si/Si structure
DOI:10.1016/j.ssi.2013.09.055 JN:SOLID STATE IONICS PY:2013 TC:3 AU: Chebout, K.;Iratni, A.;Bouremana, A.;Sam, S.;Keffous, A.;Gabouze, N.;
7:3:125:1 Two-Dimensional Superconducting State of Monolayer Pb Films Grown on GaAs(110) in a Strong Parallel Magnetic Field
DOI:10.1103/PhysRevLett.111.057005 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:2 AU: Sekihara, Takayuki;Masutomi, Ryuichi;Okamoto, Tohru;
7:3:125:2 Magnetotransport in adsorbate-induced two-dimensional electron systems on cleaved InAs surfaces
DOI:10.1063/1.3578263 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Okamoto, Tohru;Mochizuki, Toshimitsu;Minowa, Masaaki;Komatsuzaki, Kazunari;Masutomi, Ryuichi;
7:3:126:1 Magnesium metallic interlayer as an oxygen-diffusion-barrier between high-kappa dielectric thin films and silicon substrate
DOI:10.1016/j.tsf.2012.04.029 JN:THIN SOLID FILMS PY:2012 TC:0 AU: Rauwel, E.;Rauwel, P.;Ducroquet, F.;Sunding, M. F.;Matko, I.;Lourenco, A. C.;
7:3:126:2 Metallic oxygen barrier diffusion applied to high-kappa deposition
DOI:10.1116/1.3534019 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2011 TC:1 AU: Rauwei, E.;Rauwel, P.;Ducroquet, F.;Matko, I.;Lourenco, A. C.;
7:3:127:1 Josephson effect in CeCoIn5 microbridges as seen via quantum interferometry
DOI:10.1103/PhysRevB.84.045103 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Foyevtsov, Oleksandr;Porrati, Fabrizio;Huth, Michael;
7:3:127:2 Transport measurements on microcrystals of oriented CeIn3 and CeCoIn5 thin films
DOI:10.1016/j.tsf.2010.06.028 JN:THIN SOLID FILMS PY:2010 TC:3 AU: Foyevtsov, O.;Reith, H.;Huth, M.;
7:3:128:1 Epitaxial PbxZr1-xTiO3 on GaN
DOI:10.1063/1.4792599 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Paisley, E. A.;Craft, H. S.;Losego, M. D.;Lu, H.;Gruverman, A.;Collazo, R.;Sitar, Z.;Maria, J. -P.;
7:3:128:2 Epitaxial lead zirconate titanate on gallium nitride (vol 113, 074107, 2013)
DOI:10.1063/1.4842135 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Paisley, E. A.;Craft, H. S.;Losego, M. D.;Lu, H.;Gruverman, A.;Collazo, R.;Sitar, Z.;Maria, J. -P.;
7:4:1:1 Recent Progress in Multiferroic Magnetoelectric Composites: from Bulk to Thin Films
DOI:10.1002/adma.201003636 JN:ADVANCED MATERIALS PY:2011 TC:511 AU: Ma, Jing;Hu, Jiamian;Li, Zheng;Nan, Ce-Wen;
7:4:1:2 Magnetoelectric Coupling Effects in Multiferroic Complex Oxide Composite Structures
DOI:10.1002/adma.200904326 JN:ADVANCED MATERIALS PY:2010 TC:261 AU: Vaz, Carlos A. F.;Hoffman, Jason;Ahn, Charles H.;Ramesh, Ramamoorthy;
7:4:1:3 Electric-Field-Induced Magnetization Reversal in a Ferromagnet-Multiferroic Heterostructure
DOI:10.1103/PhysRevLett.107.217202 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:93 AU: Heron, J. T.;Trassin, M.;Ashraf, K.;Gajek, M.;He, Q.;Yang, S. Y.;Nikonov, D. E.;Chu, Y-H.;Salahuddin, S.;Ramesh, R.;
7:4:1:4 Giant electric-field-induced reversible and permanent magnetization reorientation on magnetoelectric Ni/(011) [Pb(Mg1/3Nb2/3)O-3]((1-x))-[PbTiO3](x) heterostructure
DOI:10.1063/1.3534788 JN:APPLIED PHYSICS LETTERS PY:2011 TC:63 AU: Wu, Tao;Bur, Alexandre;Zhao, Ping;Mohanchandra, Kotekar P.;Wong, Kin;Wang, Kang L.;Lynch, Christopher S.;Carman, Gregory P.;
7:4:1:5 Electric-Field Control of Nonvolatile Magnetization in Co40Fe40B20/Pb(Mg1/3Nb2/3)(0.7)Ti0.3O3 Structure at Room Temperature
DOI:10.1103/PhysRevLett.108.137203 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:47 AU: Zhang, S.;Zhao, Y. G.;Li, P. S.;Yang, J. J.;Rizwan, S.;Zhang, J. X.;Seidel, J.;Qu, T. L.;Yang, Y. J.;Luo, Z. L.;He, Q.;Zou, T.;Chen, Q. P.;Wang, J. W.;Yang, L. F.;Sun, Y.;Wu, Y. Z.;Xiao, X.;Jin, X. F.;Huang, J.;Gao, C.;Han, X. F.;Ramesh, R.;
7:4:1:6 Design of a Voltage-Controlled Magnetic Random Access Memory Based on Anisotropic Magnetoresistance in a Single Magnetic Layer
DOI:10.1002/adma.201201004 JN:ADVANCED MATERIALS PY:2012 TC:38 AU: Hu, Jia-Mian;Li, Zheng;Chen, Long-Qing;Nan, Ce-Wen;
7:4:1:7 Electrical control of reversible and permanent magnetization reorientation for magnetoelectric memory devices
DOI:10.1063/1.3605571 JN:APPLIED PHYSICS LETTERS PY:2011 TC:44 AU: Wu, Tao;Bur, Alexandre;Wong, Kin;Zhao, Ping;Lynch, Christopher S.;Amiri, Pedram Khalili;Wang, Kang L.;Carman, Gregory P.;
7:4:1:8 Electric-field control of strain-mediated magnetoelectric random access memory
DOI:10.1063/1.3373593 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:41 AU: Hu, Jia-Mian;Li, Zheng;Wang, Jing;Nan, C. W.;
7:4:1:9 Voltage Tuning of Ferromagnetic Resonance with Bistable Magnetization Switching in Energy-Efficient Magnetoelectric Composites
DOI:10.1002/adma.201203792 JN:ADVANCED MATERIALS PY:2013 TC:42 AU: Liu, Ming;Zhou, Ziyao;Nan, Tianxiang;Howe, Brandon M.;Brown, Gail J.;Sun, Nian X.;
7:4:1:10 Electric field control of microwave characteristics in composition-graded FeCoTa film grown onto [Pb(Mg1/3Nb2/3)O-3](0.68)-[PbTiO3](0.32)(011) crystal
DOI:10.1063/1.4891048 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Phuoc, Nguyen N.;Ong, C. K.;
7:4:1:11 Electric field modulation of magnetoresistance in multiferroic heterostructures for ultralow power electronics
DOI:10.1063/1.3597796 JN:APPLIED PHYSICS LETTERS PY:2011 TC:34 AU: Liu, Ming;Li, Shandong;Obi, Ogheneyunume;Lou, Jing;Rand, Scott;Sun, Nian X.;
7:4:1:12 Thickness-dependent voltage-modulated magnetism in multiferroic heterostructures
DOI:10.1063/1.3675868 JN:APPLIED PHYSICS LETTERS PY:2012 TC:26 AU: Shu, Li;Li, Zheng;Ma, Jing;Gao, Ya;Gu, Lin;Shen, Yang;Lin, Yuanhua;Nan, C. W.;
7:4:1:13 Domain engineered switchable strain states in ferroelectric (011) [Pb(Mg1/3Nb2/3)O-3]((1-x))-[PbTiO3](x) (PMN-PT, x approximate to 0.32) single crystals
DOI:10.1063/1.3595670 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:38 AU: Wu, Tao;Zhao, Ping;Bao, Mingqiang;Bur, Alexandre;Hockel, Joshua L.;Wong, Kin;Mohanchandra, Kotekar P.;Lynch, Christopher S.;Carman, Gregory P.;
7:4:1:14 E-Field Control of Exchange Bias and Deterministic Magnetization Switching in AFM/FM/FE Multiferroic Heterostructures
DOI:10.1002/adfm.201002485 JN:ADVANCED FUNCTIONAL MATERIALS PY:2011 TC:41 AU: Liu, Ming;Lou, Jing;Li, Shandong;Sun, Nian X.;
7:4:1:15 Size-dependent electric voltage controlled magnetic anisotropy in multiferroic heterostructures: Interface-charge and strain comediated magnetoelectric coupling
DOI:10.1103/PhysRevB.83.134408 JN:PHYSICAL REVIEW B PY:2011 TC:20 AU: Hu, Jia-Mian;Nan, Ce-Wen;Chen, Long-Qing;
7:4:1:16 Electrical tuning of magnetism in Fe3O4/PZN-PT multiferroic heterostructures derived by reactive magnetron sputtering
DOI:10.1063/1.3354104 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:38 AU: Liu, Ming;Obi, Ogheneyunume;Cai, Zhuhua;Lou, Jing;Yang, Guomin;Ziemer, Katherine S.;Sun, Nian X.;
7:4:1:17 Electric field modulation of ultra-high resonance frequency in obliquely deposited [Pb(Mg1/3Nb2/3)O-3](0.68)-[PbTiO3](0.32)(011)/FeCoZr heterostructure for reconfigurable magnetoelectric microwave devices
DOI:10.1063/1.4890411 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Phuoc, Nguyen N.;Ong, C. K.;
7:4:1:18 Engineering domain structures in nanoscale magnetic thin films via strain
DOI:10.1063/1.4826491 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Hu, Jia-Mian;Yang, T. N.;Chen, L. Q.;Nan, C. W.;
7:4:1:19 Voltage-Impulse-Induced Non-Volatile Ferroelastic Switching of Ferromagnetic Resonance for Reconfigurable Magnetoelectric Microwave Devices
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7:4:1:20 Thickness-dependent converse magnetoelectric coupling in bi-layered Ni/PZT thin films
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7:4:1:21 Purely Electric-Field-Driven Perpendicular Magnetization Reversal
DOI:10.1021/nl504108m JN:NANO LETTERS PY:2015 TC:5 AU: Hu, Jia-Mian;Yang, Tiannan;Wang, Jianjun;Huang, Houbing;Zhang, Jinxing;Chen, Long-Qing;Nan, Ce-Wen;
7:4:1:22 Nonvolatile, reversible electric-field controlled switching of remanent magnetization in multifunctional ferromagnetic/ferroelectric hybrids
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7:4:1:23 Magnetization Reversal by Electric-Field Decoupling of Magnetic and Ferroelectric Domain Walls in Multiferroic-Based Heterostructures
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7:4:1:24 Magnetoelectric manipulation of domain wall configuration in thin film Ni/[Pb(Mn1/3Nb2/3)O-3](0.68)-[PbTiO3](0.32) (001) heterostructure
DOI:10.1063/1.3690953 JN:APPLIED PHYSICS LETTERS PY:2012 TC:18 AU: Hsu, Chin-Jui;Hockel, Joshua L.;Carman, Gregory P.;
7:4:1:25 Large anisotropic remnant magnetization tunability in (011)-La2/3Sr1/3MnO3/0.7Pb(Mg2/3Nb1/3)O-3-0.3PbTiO(3) multiferroic epitaxial heterostructures
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7:4:1:26 Electric-poling-induced magnetic anisotropy and electric-field-induced magnetization reorientation in magnetoelectric Ni/(011) [Pb(Mg1/3Nb2/3)O-3]((1-x))-[PbTiO3](x) heterostructure
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7:4:1:27 Voltage-driven perpendicular magnetic domain switching in multiferroic nanoislands
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7:4:1:28 Switchable voltage control of the magnetic coercive field via magnetoelectric effect
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7:4:1:29 Micro-strip ferromagnetic resonance study of strain-induced anisotropy in amorphous FeCuNbSiB film on flexible substrate
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7:4:1:30 Converse magnetoelectric coupling in NiFe/Pb(Mg1/3Nb2/3)O-3-PbTiO3 nanocomposite thin films grown on Si substrates
DOI:10.1063/1.4828878 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Feng, Ming;Hu, Jiamian;Wang, Jianjun;Li, Zheng;Shu, Li;Nan, C. W.;
7:4:1:31 Electrostatic tuning of ferromagnetic resonance and magnetoelectric interactions in ferrite-piezoelectric heterostructures grown by chemical vapor deposition
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7:4:1:32 Quantifying thickness-dependent charge mediated magnetoelectric coupling in magnetic/dielectric thin film heterostructures
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7:4:1:33 Electric field controlled reversible magnetic anisotropy switching studied by spin rectification
DOI:10.1063/1.4867881 JN:APPLIED PHYSICS LETTERS PY:2014 TC:6 AU: Zhou, Hengan;Fan, Xiaolong;Wang, Fenglong;Jiang, Changjun;Rao, Jinwei;Zhao, Xiaobing;Gui, Y. S.;Hu, C. -M.;Xue, Desheng;
7:4:1:34 A simple method for direct observation of the converse magnetoelectric effect in magnetic/ferroelectric composite thin films
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7:4:1:35 Voltage-controlled ferromagnetism and magnetoresistance in LaCoO3/SrTiO3 heterostructures
DOI:10.1063/1.4831673 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Hu, Chengqing;Park, Keun Woo;Posadas, Agham;Jordan-Sweet, Jean L.;Demkov, Alexander A.;Yu, Edward T.;
7:4:1:36 Non-Volatile 180 degrees Magnetization Reversal by an Electric Field in Multiferroic Heterostructures
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7:4:1:37 Voltage impulse induced bistable magnetization switching in multiferroic heterostructures
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7:4:1:38 Strain-domain structure and stability diagrams for single-domain magnetic thin films
DOI:10.1063/1.4824165 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Wang, J. J.;Hu, Jia-Mian;Chen, Long-Qing;Nan, Ce-Wen;
7:4:1:39 Strain-mediated voltage control of magnetism in multiferroic Ni77Fe23/Pb(Mg1/3Nb2/3)(0.7)Ti0.3O3 heterostructure
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7:4:1:40 Phase-field simulation of electric-field-induced in-plane magnetic domain switching in magnetic/ferroelectric layered heterostructures
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7:4:1:41 Anomalous thickness-dependent strain states and strain-tunable magnetization in Zn-doped ferrite epitaxial films
DOI:10.1063/1.4874920 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Yang, Y. J.;Yang, M. M.;Luo, Z. L.;Hu, C. S.;Bao, J.;Huang, H. L.;Zhang, S.;Wang, J. W.;Li, P. S.;Liu, Y.;Zhao, Y. G.;Chen, X. C.;Pan, G. Q.;Jiang, T.;Liu, Y. K.;Li, X. G.;Gao, C.;
7:4:1:42 Single Domain Spin Manipulation by Electric Fields in Strain Coupled Artificial Multiferroic Nanostructures
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7:4:1:43 Precision electric control of magnetic domain wall motions in a multiferroic bilayer based on strain-mediated magnetoelectric coupling
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7:4:1:44 A magnetoelectric memory cell with coercivity state as writing data bit
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7:4:1:45 A simple bilayered magnetoelectric random access memory cell based on electric-field controllable domain structure
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7:4:1:46 Magnetization reversal assisted by the inverse piezoelectric effect in Co-Fe-B/ferroelectric multilayers
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7:4:1:47 Phase-field simulation of strain-induced domain switching in magnetic thin films
DOI:10.1063/1.3567542 JN:APPLIED PHYSICS LETTERS PY:2011 TC:15 AU: Hu, Jia-Mian;Sheng, G.;Zhang, J. X.;Nan, C. W.;Chen, L. Q.;
7:4:1:48 Nonvolatile electric-field modulation of magnetic anisotropy in perpendicularly magnetized L1(0)-FePt/(001)[Pb(Mg1/3Nb2/3)](0.7)-(PbTiO3)(0.3) heterostructures
DOI:10.1063/1.4850575 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Tsai, Wu-Chang;Liao, Sheng-Chieh;Huang, Kuo-Feng;Wang, Ding-Shuo;Lai, Chih-Huang;
7:4:1:49 Optimization of indirect magnetoelectric effect in thin-film/substrate/piezoelectric-actuator heterostructure using polymer substrate
DOI:10.1063/1.4892579 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Gueye, Mouhamadou;Zighem, Fatih;Faurie, Damien;Belmeguenai, Mohamed;Mercone, Silvana;
7:4:1:50 Voltage-induced strain control of the magnetic anisotropy in a Ni thin film on flexible substrate
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7:4:1:51 Electric Field Manipulation of Magnetization Rotation and Tunneling Magnetoresistance of Magnetic Tunnel Junctions at Room Temperature
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7:4:1:52 Electric field induced magnetization rotation in patterned Ni ring/Pb(Mg1/3Nb2/3)O-3]((120.32))-[PbTiO3](0.32) heterostructures
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7:4:1:53 Piezoelectric control of magnetic dynamics in Co/Pb(Mg1/3Nb2/3)O-3-PbTiO3 heterostructure
DOI:10.1063/1.4893142 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Wang, Fenglong;Zhou, Cai;Zhang, Chao;Dong, Chunhui;Yang, Chengcheng;Jiang, Changjun;Jia, Chenglong;Xue, Desheng;
7:4:1:54 Large converse magnetoelectric response in Rosen-type transformer and Terfenol-D laminated composite
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7:4:1:55 Large E-field tunability of microwave ferromagnetic properties in Fe59.3Co28.0Hf12.7/PZN-PT multiferroic composites
DOI:10.1063/1.4865315 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:6 AU: Li, Shandong;Du, Honglei;Xue, Qian;Gao, Xiaoyang;Zhang, Yongcheng;Shao, Weiquan;Nan, Tianxiang;Zhou, Ziyao;Sun, Nian X.;
7:4:1:56 Voltage-dependent ferromagnetic resonance in epitaxial multiferroic nanocomposites
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7:4:1:57 A method to control magnetism in individual strain-mediated magnetoelectric islands
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7:4:1:58 Non-volatile voltage control of magnetization and magnetic domain walls in magnetostrictive epitaxial thin films
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7:4:1:59 Electrical control of magnetic reversal processes in magnetostrictive structures
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7:4:1:60 Local control of magnetic anisotropy in transcritical permalloy thin films using ferroelectric BaTiO3 domains
DOI:10.1063/1.4902809 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Fackler, Sean W.;Donahue, Michael J.;Gao, Tieren;Nero, Paris N. A.;Cheong, Sang-Wook;Cumings, John;Takeuchi, Ichiro;
7:4:1:61 Piezoelectric control of magnetic anisotropy in the Ni0.46Zn0.54Fe2O4/Pb(Mg1/3Nb2/3)O-3-PbTiO3 composite
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7:4:1:62 Voltage-driven hysteretic changes in magnetization in multiferroic Co/BTO composite thin films
DOI:10.1016/j.apsusc.2014.05.202 JN:APPLIED SURFACE SCIENCE PY:2014 TC:1 AU: Shu, Li;Hu, Jia-Mian;Gao, Yao;Wu, Liang;Ma, Jing;Lin, Y. H.;Nan, C. W.;
7:4:1:63 Evaluating the electro-optical effect in alternating current-voltage-modulated Kerr response for multiferroic heterostructures
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7:4:1:64 "Long leg" magnetoelectric memory
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7:4:1:65 Control of magnetic and electric responses with electric and magnetic fields in magnetoelectric heterostructures
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7:4:1:66 Magneto-electric tuning of the phase of propagating spin waves
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7:4:1:67 Strong non-volatile voltage control of magnetism in magnetic/antiferroelectric magnetoelectric heterostructures
DOI:10.1063/1.4861462 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Zhou, Z.;Zhang, X. Y.;Xie, T. F.;Nan, T. X.;Gao, Y.;Yang, X.;Wang, X. J.;He, X. Y.;Qiu, P. S.;Sun, N. X.;Sun, D. Z.;
7:4:1:68 Ultra-low power electrically reconfigurable magnetoelectric microwave devices
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7:4:1:69 Effects of ferroelectric polarization switching on the electronic transport and magnetic properties of La0.8Ce0.2MnO3 epitaxial thin films
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7:4:1:70 Electric-field-induced spin wave generation using multiferroic magnetoelectric cells
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7:4:1:71 Electric-field modulation of magnetic properties of Fe films directly grown on BiScO3-PbTiO3 ceramics
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7:4:1:72 In-plane anisotropic converse magnetoelectric coupling effect in FeGa/polyvinylidene fluoride heterostructure films
DOI:10.1063/1.4793780 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Zuo, Zhenghu;Zhan, Qingfeng;Dai, Guohong;Chen, Bin;Zhang, Xiaoshan;Yang, Huali;Liu, Yiwei;Li, Run-Wei;
7:4:1:73 Modeling of ferroelectric control of magnetic domain pattern and domain wall properties
DOI:10.1063/1.4799621 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Chen, H. T.;Ni, Y.;Soh, A. K.;
7:4:1:74 Giant electric-field-induced magnetic anisotropy reorientation with patterned electrodes on a Ni thin film/lead zirconate titanate heterostructure
DOI:10.1063/1.4863258 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Cui, Jizhai;Hockel, Joshua L.;Nordeen, Paul K.;Pisani, David M.;Carman, Gregory P.;Lynch, Christopher S.;
7:4:1:75 Time-dependent magnetoelectric effect in Fe/Pb(Mg1/3Nb2/3)(0.7)Ti0.3O3 heterostructure: A ferromagnetic resonance study
DOI:10.1063/1.4819220 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Zhao, Yue-Lei;Chen, Qian-Ping;Zhao, Yong-Gang;Pan, Liqing;Sun, Young;
7:4:1:76 Electrically controlled reversible and hysteretic magnetic domain evolution in nickel film/Pb(Mg1/3Nb2/3)O-3](0.68)-[PbTiO3](0.32) (011) heterostructure
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7:4:1:77 Demonstration of magnetoelectric memory cell in (110) [Pb(Mg1/2Nb2/3)O-3](0.68)-[PbTiO3](0.32)/Ru/FeCo heterostructures
DOI:10.1063/1.4896270 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Han, Xuemeng;Xi, Li;Li, Yue;Guo, Xiaobin;Li, Dong;Wang, Zhen;Zuo, Yalu;Xue, Desheng;
7:4:1:78 Electrically induced enormous magnetic anisotropy in Terfenol-D/lead zinc niobate-lead titanate multiferroic heterostructures
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7:4:1:79 Ferromagnetic resonance in epitaxial films: Effects of lattice strains and voltage control via ferroelectric substrate
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7:4:1:80 Theory of domain wall motion mediated magnetoelectric effects in a multiferroic composite
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7:4:1:81 Magneto-optical Kerr effect investigation on magnetoelectric coupling in ferromagnetic/antiferroelectric multilayer thin film structures
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7:4:1:82 Electric field tuning of domain magnetic resonances in yttrium iron garnet films
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7:4:1:83 Microwave magnetoelectric effects in bilayers of piezoelectrics and ferrites with cubic magnetocrystalline anisotropy
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7:4:1:84 Large E-field tunability of microwave ferromagnetic properties in Fe50Co50-Hf/lead zinc niobate-lead titanate multiferroic laminates
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7:4:1:85 Electric-field-induced reorientation and flip in domain magnetization and light diffraction in an yttrium-iron-garnet/lead-zirconate-titanate bilayer
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7:4:1:86 Tunable magnetoresistance devices based on multiferroic heterostructures
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7:4:1:87 Voltage control of the magnetic coercive field: Multiferroic coupling or artifact?
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7:4:1:88 Large Electric-Field Modulation of Magnetic Properties in Fe Films on BiScO3-PbTiO3 Ceramics
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7:4:1:89 Electrical tuning of metastable dielectric constant of ferroelectric single crystals for low-power electronics
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7:4:1:90 The influence of in-plane ferroelectric crystal orientation on electrical modulation of magnetic properties in Co60Fe20B20/SiO2/(011) xPb(Mg1/3Nb2/3)O-3-(1-x)PbTiO3 heterostructures
DOI:10.1063/1.4745903 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Zhu, Guodong;Wong, Kin. L.;Zhao, J.;Amiri, Pedram K.;Wang, Kang L.;Hockel, J.;Carman, Gregory P.;Zhu, J.;Krivorotov, I.;
7:4:1:91 E-field tuning microwave frequency performance of Co2FeSi/lead zinc niobate-lead titanate magnetoelectric coupling composites
DOI:10.1063/1.3670979 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Li, Shandong;Liu, Ming;Lou, J.;Beguhn, Shawn;Wu, Jianpeng;Qiu, Jie;Lin, Jianhua;Cai, Zhiyi;Hu, Yi;Xu, Feng;Duh, Jenq-Gong;Sun, Nian X.;
7:4:1:92 Properties of ferroelectric/ferromagnetic thin film heterostructures
DOI:10.1063/1.4865316 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Chen, Daming;Harward, Ian;Linderman, Katie;Economou, Evangelos;Nie, Yan;Celinski, Zbigniew;
7:4:1:93 Electric field-induced magnetoresistance in spin-valve/piezoelectric multiferroic laminates for low-power spintronics
DOI:10.1016/j.jmmm.2012.01.038 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:1 AU: Giang, D. T. Huong;Thuc, V. N.;Duc, N. H.;
7:4:1:94 Perpendicular magnetic anisotropy in piezoelectric- and dielectric-ferromagnetic heterostructures based on Co/Pt multilayers
DOI:10.1016/j.tsf.2012.12.107 JN:THIN SOLID FILMS PY:2013 TC:1 AU: Lin, Weiwei;Lei, Na;Vernier, Nicolas;Agnus, Guillaume;Adam, Jean-Paul;Eimer, Sylvain;Devolder, Thibaut;Lecoeur, Philippe;Ravelosona, Dafine;
7:4:1:95 Electric field controlled magnetization rotation in exchange biased antiferromagnetic/ferromagnetic/piezoelectric composites
DOI:10.1063/1.3665952 JN:APPLIED PHYSICS LETTERS PY:2011 TC:1 AU: Lebedev, G. A.;Viala, B.;Lafont, T.;Zakharov, D. I.;Cugat, O.;Delamare, J.;
7:4:1:96 Quantitative analysis of electric field induced change in anisotropy field in Co60Fe20B20/(011) xPb(Mg1/3Nb2/3)O-3-(1-x)PbTiO3 (x similar to 0.68) heterostructures
DOI:10.1063/1.4767332 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Zhu, Guodong;Wong, Kin L.;Zhao, Jing;Amiri, Pedram Khalili;Zhu, Jian;Krivorotov, Ilya;Wang, Kang L.;
7:4:1:97 Voltage controlled modification of flux closure domains in planar magnetic structures for microwave applications
DOI:10.1063/1.4892942 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Parkes, D. E.;Beardsley, R.;Bowe, S.;Isakov, I.;Warburton, P. A.;Edmonds, K. W.;Campion, R. P.;Gallagher, B. L.;Rushforth, A. W.;Cavill, S. A.;
7:4:1:98 Non-volatile magnetoelectric edge effects observed using magnetic force microscopy
DOI:10.1063/1.4870420 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Ghidini, M.;Pellicelli, R.;Mathur, N. D.;
7:4:1:99 Electric field modulation of surface anisotropy and magneto-dynamics in multiferroic heterostructures
DOI:10.1063/1.3562975 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Lou, J.;Liu, M.;Reed, D.;Ren, Y. H.;Sun, N. X.;
7:4:1:100 Low moment NiCr radio frequency magnetic films for multiferroic heterostructures with strong magnetoelectric coupling
DOI:10.1063/1.4722344 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:7 AU: Zhou, Z.;Beguhn, S.;Lou, J.;Rand, S.;Li, M.;Yang, X.;Li, S. D.;Liu, M.;Sun, N. X.;
7:4:1:101 Converse magnetoelectric effect dependence with CoFeB composition in ferromagnetic/piezoelectric composites
DOI:10.1063/1.3679443 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Lebedev, G. A.;Viala, B.;Lafont, T.;Zakharov, D. I.;Cugat, O.;Delamare, J.;
7:4:1:102 Strain-domain structure and stability diagrams for single-domain magnetic thin films (vol 103, 142413, 2013)
DOI:10.1063/1.4897348 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Wang, J. J.;Hu, Jia-Mian;Chen, Long-Qing;Nan, Ce-Wen;
7:4:1:103 Structural Properties of Composite Thin Films BiFeO3 - Ba0.8Sr0.2TiO3
DOI:10.1080/00150193.2012.741920 JN:FERROELECTRICS PY:2012 TC:0 AU: Bunina, O. A.;Zakharchenko, I. N.;Golovko, Yu. I.;Mukhortov, V. M.;Stryukov, D. V.;Yuzyuk, Yu. I.;
7:4:1:104 Electric poling-induced magnetic anisotropy and electric-field-induced magnetization reorientation in magnetoelectric Ni/(011) Pb(Mg1/3Nb2/3)O-3]((1-x))-[PbTiO3](x) heterostructure (vol 109, 07D732, 2011)
DOI:10.1063/1.3611391 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:0 AU: Wu, Tao;Bur, Alexandre;Wong, Kin;Hockel, Joshua Leon;Hsu, Chin-Jui;Kim, Hyungsuk K. D.;Wang, Kang L.;Carman, Gregory P.;
7:4:1:105 Magnetoelectric effect in AlN/CoFe bi-layer thin film composites
DOI:10.1063/1.3679042 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Babu, S. Narendra;Min, Seong-Gi;Yourdkhani, Amin;Caruntu, Gabriel;Malkinski, Leszek;
7:4:1:106 Spin dynamics of polycrystalline Ni films on Si substrate
DOI:10.1016/j.jmmm.2009.03.020 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:2 AU: Rhen, Fernando M. F.;Godsell, Jeffrey F.;O'Donnell, Terence;Roy, Saibal;
7:4:1:107 Magnetic field induced ferroelectric and dielectric properties in Pb(Zr0.5Ti0.5)O-3 films containing Fe3O4 nanoparticles
DOI:10.1016/j.tsf.2009.10.010 JN:THIN SOLID FILMS PY:2010 TC:3 AU: Bai, Wei;Meng, Xiangjian;Lin, Tie;Zhu, Xia;Ma, Jianhua;Liu, Weijing;Sun, Jinglan;Chu, Junhao;
7:4:2:1 High spin-filter efficiency in a Co ferrite fabricated by a thermal oxidation
DOI:10.1063/1.3318297 JN:APPLIED PHYSICS LETTERS PY:2010 TC:36 AU: Takahashi, Y. K.;Kasai, S.;Furubayashi, T.;Mitani, S.;Inomata, K.;Hono, K.;
7:4:2:2 Effect of epitaxial strain on the cation distribution in spinel ferrites CoFe2O4 and NiFe2O4: A density functional theory study
DOI:10.1063/1.3631676 JN:APPLIED PHYSICS LETTERS PY:2011 TC:25 AU: Fritsch, Daniel;Ederer, Claude;
7:4:2:3 Epitaxial strain effects in the spinel ferrites CoFe2O4 and NiFe2O4 from first principles
DOI:10.1103/PhysRevB.82.104117 JN:PHYSICAL REVIEW B PY:2010 TC:35 AU: Fritsch, Daniel;Ederer, Claude;
7:4:2:4 Monitoring B-site ordering and strain relaxation in NiFe2O4 epitaxial films by polarized Raman spectroscopy
DOI:10.1103/PhysRevB.83.014108 JN:PHYSICAL REVIEW B PY:2011 TC:23 AU: Iliev, M. N.;Mazumdar, D.;Ma, J. X.;Gupta, A.;Rigato, F.;Fontcuberta, J.;
7:4:2:5 Short-range B-site ordering in the inverse spinel ferrite NiFe2O4
DOI:10.1103/PhysRevB.82.024104 JN:PHYSICAL REVIEW B PY:2010 TC:28 AU: Ivanov, V. G.;Abrashev, M. V.;Iliev, M. N.;Gospodinov, M. M.;Meen, J.;Aroyo, M. I.;
7:4:2:6 Spin-filtering efficiency of ferrimagnetic spinels CoFe2O4 and NiFe2O4
DOI:10.1103/PhysRevB.87.024419 JN:PHYSICAL REVIEW B PY:2013 TC:8 AU: Caffrey, Nuala M.;Fritsch, Daniel;Archer, Thomas;Sanvito, Stefano;Ederer, Claude;
7:4:2:7 Fully spin-polarized two-dimensional electron gas at the CoFe2O4/MgAl2O4(001) polar interface
DOI:10.1103/PhysRevB.90.045411 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Arras, R.;Calmels, L.;
7:4:2:8 Chemical tuning of the optical band gap in spinel ferrites: CoFe2O4 vs NiFe2O4
DOI:10.1063/1.4818315 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Holinsworth, B. S.;Mazumdar, D.;Sims, H.;Sun, Q. -C.;Yurtisigi, M. K.;Sarker, S. K.;Gupta, A.;Butler, W. H.;Musfeldt, J. L.;
7:4:2:9 First-principles calculation of magnetoelastic coefficients and magnetostriction in the spinel ferrites CoFe2O4 and NiFe2O4
DOI:10.1103/PhysRevB.86.014406 JN:PHYSICAL REVIEW B PY:2012 TC:12 AU: Fritsch, Daniel;Ederer, Claude;
7:4:2:10 Optical band gap hierarchy in a magnetic oxide: Electronic structure of NiFe2O4
DOI:10.1103/PhysRevB.86.205106 JN:PHYSICAL REVIEW B PY:2012 TC:13 AU: Sun, Q. -C.;Sims, H.;Mazumdar, D.;Ma, J. X.;Holinsworth, B. S.;O'Neal, K. R.;Kim, G.;Butler, W. H.;Gupta, A.;Musfeldt, J. L.;
7:4:2:11 The Poisson Ratio in CoFe2O4 Spinel Thin Films
DOI:10.1002/adfm.201200257 JN:ADVANCED FUNCTIONAL MATERIALS PY:2012 TC:15 AU: Foerster, Michael;Iliev, Milko;Dix, Nico;Marti, Xavier;Barchuk, Mykhailo;Sanchez, Florencio;Fontcuberta, Josep;
7:4:2:12 Stress-mediated magnetic anisotropy and magnetoelastic coupling in epitaxial multiferroic PbTiO3-CoFe2O4 nanostructures
DOI:10.1063/1.4800069 JN:APPLIED PHYSICS LETTERS PY:2013 TC:8 AU: Tsai, C. Y.;Chen, H. R.;Chang, F. C.;Tsai, W. C.;Cheng, H. M.;Chu, Y. H.;Lai, C. H.;Hsieh, W. F.;
7:4:2:13 A robust approach for the growth of epitaxial spinel ferrite films
DOI:10.1063/1.3488638 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:26 AU: Ma, J. X.;Mazumdar, D.;Kim, G.;Sato, H.;Bao, N. Z.;Gupta, A.;
7:4:2:14 Optical and magneto-optical study of nickel and cobalt ferrite epitaxial thin films and submicron structures
DOI:10.1063/1.4792749 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:10 AU: Himcinschi, Cameliu;Vrejoiu, Ionela;Salvan, Georgeta;Fronk, Michael;Talkenberger, Andreas;Zahn, Dietrich R. T.;Rafaja, David;Kortus, Jens;
7:4:2:15 Anisotropic strain, magnetic properties, and lattice dynamics in self-assembled multiferroic CoFe2O4-PbTiO3 nanostructures
DOI:10.1063/1.4870803 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Tsai, C. Y.;Chen, H. R.;Chang, F. C.;Kuo, H. H.;Cheng, H. M.;Tsai, W. C.;Chu, Y. H.;Lai, C. H.;Hsieh, W. F.;
7:4:2:16 Formation of antiphase domains in NiFe2O4 thin films deposited on different substrates
DOI:10.1063/1.3481365 JN:APPLIED PHYSICS LETTERS PY:2010 TC:18 AU: Datta, R.;Kanuri, S.;Karthik, S. V.;Mazumdar, D.;Ma, J. X.;Gupta, A.;
7:4:2:17 Temperature dependent phonon Raman scattering of highly a-axis oriented CoFe2O4 inverse spinel ferromagnetic films grown by pulsed laser deposition
DOI:10.1063/1.3683520 JN:APPLIED PHYSICS LETTERS PY:2012 TC:10 AU: Liao, Y. Y.;Li, Y. W.;Hu, Z. G.;Chu, J. H.;
7:4:2:18 Dielectric response of epitaxially strained CoFe2O4 spinel thin films
DOI:10.1103/PhysRevB.86.125309 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Gutierrez, Diego;Foerster, Michael;Fina, Ignasi;Fontcuberta, Josep;Fritsch, Daniel;Ederer, Claude;
7:4:2:19 Strain analysis of multiferroic BiFeO3-CoFe2O4 nanostructures by Raman scattering
DOI:10.1063/1.3626595 JN:APPLIED PHYSICS LETTERS PY:2011 TC:12 AU: Chaix-Pluchery, O.;Cochard, C.;Jadhav, P.;Kreisel, J.;Dix, N.;Sanchez, F.;Fontcuberta, J.;
7:4:2:20 Probing optical band gaps at the nanoscale in NiFe2O4 and CoFe2O4 epitaxial films by high resolution electron energy loss spectroscopy
DOI:10.1063/1.4895059 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:4 AU: Dileep, K.;Loukya, B.;Pachauri, N.;Gupta, A.;Datta, R.;
7:4:2:21 Andreev reflection in ferrimagnetic CoFe2O4 spin filters
DOI:10.1103/PhysRevB.81.174415 JN:PHYSICAL REVIEW B PY:2010 TC:15 AU: Rigato, Franco;Piano, Samanta;Foerster, Michael;Giubileo, Filippo;Cucolo, Anna Maria;Fontcuberta, Josep;
7:4:2:22 Direct evidence of spin filtering across MnFe2O4 tunnel barrier by Meservey-Tedrow experiment
DOI:10.1103/PhysRevB.87.184422 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Matzen, S.;Moussy, J. -B.;Miao, G. X.;Moodera, J. S.;
7:4:2:23 Electronic structure and optical band gap of CoFe2O4 thin films
DOI:10.1063/1.4759001 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Ravindra, A. V.;Padhan, P.;Prellier, W.;
7:4:2:24 Tuning of optical bandgap and magnetization of CoFe2O4 thin films
DOI:10.1063/1.4890863 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Sharma, Deepanshu;Khare, Neeraj;
7:4:2:25 Structure, magnetic, and transport properties of epitaxial ZnFe2O4 films: An experimental and first-principles study
DOI:10.1063/1.4881502 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:3 AU: Jin, Chao;Li, Peng;Mi, Wenbo;Bai, Haili;
7:4:2:26 Restoration of bulk magnetic properties by strain engineering in epitaxial CoFe2O4 (001) ultrathin films
DOI:10.1063/1.3622307 JN:APPLIED PHYSICS LETTERS PY:2011 TC:12 AU: Matzen, S.;Moussy, J. -B.;Mattana, R.;Petroff, F.;Gatel, C.;Warot-Fonrose, B.;Cezar, J. C.;Barbier, A.;Arrio, M. -A.;Sainctavit, Ph.;
7:4:2:27 Structure, magnetic ordering, and spin filtering efficiency of NiFe2O4(111) ultrathin films
DOI:10.1063/1.4871733 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Matzen, S.;Moussy, J. -B.;Wei, P.;Gatel, C.;Cezar, J. C.;Arrio, M. A.;Sainctavit, Ph.;Moodera, J. S.;
7:4:2:28 Structural features of epitaxial NiFe2O4 thin films grown on different substrates by direct liquid injection chemical vapor deposition
DOI:10.1016/j.jcrysgro.2012.02.007 JN:JOURNAL OF CRYSTAL GROWTH PY:2012 TC:11 AU: Datta, R.;Loukya, B.;Li, N.;Gupta, A.;
7:4:2:29 Epitaxial growth of spinel cobalt ferrite films on MgAl2O4 substrates by direct liquid injection chemical vapor deposition
DOI:10.1016/j.jcrysgro.2013.12.012 JN:JOURNAL OF CRYSTAL GROWTH PY:2014 TC:4 AU: Shen, Liming;Althammer, Matthias;Pachauri, Neha;Loukya, B.;Datta, Ranjan;Iliev, Milko;Bao, Ningzhong;Gupta, Arunava;
7:4:2:30 Spin-Filter Tunnel Junction with Matched Fermi Surfaces
DOI:10.1103/PhysRevLett.109.076602 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:9 AU: Harada, T.;Ohkubo, I.;Lippmaa, M.;Sakurai, Y.;Matsumoto, Y.;Muto, S.;Koinuma, H.;Oshima, M.;
7:4:2:31 Relaxor-like ferroelectric behaviour favoured by short-range B-site ordering in 10% Ba2+ substituted MgFe2O4
DOI:10.1016/j.materresbull.2014.01.045 JN:MATERIALS RESEARCH BULLETIN PY:2014 TC:1 AU: Lekha, P. Chithra;Ramesh, G.;Revathi, V.;Subramanian, V.;
7:4:2:32 Epitaxial growth and ferrimagnetic behavior of MnFe2O4(111) ultrathin layers for room-temperature spin filtering
DOI:10.1103/PhysRevB.83.184402 JN:PHYSICAL REVIEW B PY:2011 TC:17 AU: Matzen, S.;Moussy, J. -B.;Mattana, R.;Bouzehouane, K.;Deranlot, C.;Petroff, F.;Cezar, J. C.;Arrio, M. -A.;Sainctavit, Ph.;Gatel, C.;Warot-Fonrose, B.;Zheng, Y.;
7:4:2:33 Tunable band gap in Bi(Fe1-xMnx)O-3 films
DOI:10.1063/1.3427499 JN:APPLIED PHYSICS LETTERS PY:2010 TC:18 AU: Xu, X. S.;Ihlefeld, J. F.;Lee, J. H.;Ezekoye, O. K.;Vlahos, E.;Ramesh, R.;Gopalan, V.;Pan, X. Q.;Schlom, D. G.;Musfeldt, J. L.;
7:4:2:34 Thickness dependence of the magnetoelastic effect of CoFe2O4 films grown on piezoelectric substrates
DOI:10.1063/1.4816686 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Rus, S. F.;Herklotz, A.;Roth, R.;Schultz, L.;Doerr, K.;
7:4:2:35 Distinct magnetism in ultrathin epitaxial NiFe2O4 films on MgAl2O4 and SrTiO3 single crystalline substrates
DOI:10.1103/PhysRevB.84.144422 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Foerster, Michael;Manuel Rebled, Jose;Estrade, Sonia;Sanchez, Florencio;Peiro, Francesca;Fontcuberta, Josep;
7:4:2:36 Magnetism of CoFe2O4 ultrathin films on MgAl2O4 driven by epitaxial strain
DOI:10.1063/1.4819178 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Gatel, C.;Warot-Fonrose, B.;Matzen, S.;Moussy, J. -B.;
7:4:2:37 Magnetic properties of mixed spinel BaTiO3-NiFe2O4 composites
DOI:10.1063/1.4869782 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:4 AU: Sarkar, Babusona;Dalal, Biswajit;Ashok, Vishal Dev;Chakrabarti, Kaushik;Mitra, Amitava;De, S. K.;
7:4:2:38 Optical and electronic properties of NiFe2O4 and CoFe2O4 thin films
DOI:10.1007/s00339-011-6549-z JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2012 TC:10 AU: Rai, R. C.;Wilser, S.;Guminiak, M.;Cai, B.;Nakarmi, M. L.;
7:4:2:39 Microstructural and ferromagnetic resonance properties of epitaxial nickel ferrite films grown by chemical vapor deposition
DOI:10.1063/1.4754847 JN:APPLIED PHYSICS LETTERS PY:2012 TC:5 AU: Li, N.;Schaefer, S.;Datta, R.;Mewes, T.;Klein, T. M.;Gupta, A.;
7:4:2:40 Nanomagnetism of cobalt ferrite-based spin filters probed by spin-polarized tunneling
DOI:10.1063/1.4738790 JN:APPLIED PHYSICS LETTERS PY:2012 TC:9 AU: Matzen, Sylvia;Moussy, Jean-Baptiste;Mattana, Richard;Bouzehouane, Karim;Deranlot, Cyrile;Petroff, Frederic;
7:4:2:41 Thickness dependent structural, magnetic, and electronic properties of the epitaxial films of transparent conducting oxide NiCo2O4
DOI:10.1063/1.4820930 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Silwal, Punam;Miao, Ludi;Hu, Jin;Spinu, Leonard;Kim, Dae Ho;Talbayev, Diyar;
7:4:2:42 Nanopillar Spin Filter Tunnel Junctions with Manganite Barriers
DOI:10.1021/nl500798b JN:NANO LETTERS PY:2014 TC:5 AU: Prasad, Bhagwati;Egilmez, Mehmet;Schoofs, Frank;Fix, Thomas;Vickers, Mary E.;Zhang, Wenrui;Jian, Jie;Wang, Haiyan;Blamire, Mark G.;
7:4:2:43 Large Tunnel Magnetoresistance in Epitaxial Oxide Spin-Filter Tunnel Junctions
DOI:10.1002/adfm.201200985 JN:ADVANCED FUNCTIONAL MATERIALS PY:2012 TC:6 AU: Harada, Takayuki;Ohkubo, Isao;Lippmaa, Mikk;Sakurai, Yasuaki;Matsumoto, Yuji;Muto, Shunsuke;Koinuma, Hideomi;Oshima, Masaharu;
7:4:2:44 Nontunnel transport through CoFe2O4 nanometric barriers
DOI:10.1063/1.3527921 JN:APPLIED PHYSICS LETTERS PY:2010 TC:5 AU: Foerster, M.;Gutierrez, D. F.;Rigato, F.;Rebled, J. M.;Peiro, F.;Fontcuberta, J.;
7:4:2:45 Structural and magnetic properties of lithium ferrite (LiFe5O8) thin films: Influence of substrate on the octahedral site order
DOI:10.1063/1.3533908 JN:APPLIED PHYSICS LETTERS PY:2011 TC:4 AU: Boyraz, Cihat;Mazumdar, Dipanjan;Iliev, Milko;Marinova, Vera;Ma, Jianxing;Srinivasan, Gopalan;Gupta, Arunava;
7:4:2:46 Metal insulator transition with ferrimagnetic order in epitaxial thin films of spinel NiCo2O4
DOI:10.1063/1.3676439 JN:APPLIED PHYSICS LETTERS PY:2012 TC:9 AU: Silwal, Punam;Miao, Ludi;Stern, Ilan;Zhou, Xiaolan;Hu, Jin;Kim, Dae Ho;
7:4:2:47 Influence of oxygen vacancies on the electronic structure and magnetic properties of NiFe2O4 thin films
DOI:10.1063/1.4704690 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:6 AU: Jaffari, G. Hassnain;Rumaiz, A. K.;Woicik, J. C.;Shah, S. Ismat;
7:4:2:48 Electric transport through nanometric CoFe2O4 thin films investigated by conducting atomic force microscopy
DOI:10.1063/1.3672839 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Foerster, M.;Gutierrez, D. F.;Rebled, J. M.;Arbelo, E.;Rigato, F.;Jourdan, M.;Peiro, F.;Fontcuberta, J.;
7:4:2:49 Raman studies of cation distribution and thermal stability of epitaxial spinel NiCo2O4 films
DOI:10.1063/1.4815874 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Iliev, M. N.;Silwal, P.;Loukya, B.;Datta, R.;Kim, D. H.;Todorov, N. D.;Pachauri, N.;Gupta, A.;
7:4:2:50 Effect of growth temperature on the terahertz-frequency conductivity of the epitaxial transparent conducting spinel NiCo2O4 films
DOI:10.1063/1.4821548 JN:AIP ADVANCES PY:2013 TC:2 AU: Silwal, Punam;La-o-Vorakiat, Chan;Chia, Elbert E. M.;Kim, Dae Ho;Talbayev, Diyar;
7:4:2:51 A first-principles study of magnetostrictions of Fe3O4 and CoFe2O4
DOI:10.1063/1.4863811 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Odkhuu, Dorj;Taivansaikhan, Purev;Yun, Won Seok;Hong, Soon Cheol;
7:4:2:52 Field-induced magnetic transition in cobalt-ferrite
DOI:10.1063/1.3671778 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Kriegisch, Martin;Ren, Weijun;Sato-Turtelli, Reiko;Mueller, Herbert;Groessinger, Roland;Zhang, Zhidong;
7:4:2:53 Structural and magnetic properties of pulsed laser deposited SrRuO3/CoFe2O4/La2/3Sr1/3MnO3 magnetic oxide heterostructures on SrTiO3(001) and MgO(001)
DOI:10.1007/s00339-012-7192-z JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:1 AU: Akaslompolo, Laura;Sanchez, Ana M.;Qin, Qi Hang;Hakola, Antti;Kajava, Timo;van Dijken, Sebastiaan;
7:4:2:54 Direct spectroscopic identification of the magnetic structure of the interface of Mn3O4/Fe3O4 superlattices
DOI:10.1016/j.jallcom.2014.06.074 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:0 AU: Chen, C. L.;Dong, C. L.;Chern, G.;Kumar, K.;Lin, H. J.;Chen, C. T.;Chang, C. L.;Fujimori, A.;
7:4:2:55 Electric-field-induced monoclinic phase in (Ba,Sr)TiO3 thin film
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7:4:2:56 Nonaqueous synthesis and magnetic properties of ZnFe2O4 nanocrystals with narrow size distributions
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7:4:2:57 Dielectric properties of lead indium niobate ceramics synthesized by conventional solid state reaction method
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7:4:2:58 Growth and magnetic properties of ultrathin Ni1+xFe2-xO4 films for spin filter junctions
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7:4:3:1 Self-Assembled Heteroepitaxial Oxide Nanocomposite Thin Film Structures: Designing Interface-Induced Functionality in Electronic Materials
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7:4:3:2 Tunable Low-Field Magnetoresistance in (La0.7Sr0.3MnO3)(0.5):(ZnO)(0.5) Self-Assembled Vertically Aligned Nanocomposite Thin Films
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7:4:3:4 Large, Temperature-Tunable Low-Field Magnetoresistance in La0.7Sr0.3MnO3:NiO Nanocomposite Films Modulated by Microstructures
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7:4:3:5 A New Class of Room-Temperature Multiferroic Thin Films with Bismuth-Based Supercell Structure
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7:4:3:6 Local Conduction at the BiFeO3-CoFe2O4 Tubular Oxide Interface
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7:4:3:7 Microstructure, magnetic, and low-field magnetotransport properties of self-assembled (La0.7Sr0.3MnO3)(0.5):(CeO2)(0.5) vertically aligned nanocomposite thin films
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7:4:3:8 Ferroelectric Properties of Vertically Aligned Nanostructured BaTiO3-CeO2 Thin Films and Their Integration on Silicon
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7:4:3:9 Research Updates: Epitaxial strain relaxation and associated interfacial reconstructions: The driving force for creating new structures with integrated functionality
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7:4:3:10 Vertical-Interface-Manipulated Conduction Behavior in Nanocomposite Oxide Thin Films
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7:4:3:11 Role of boundaries on low-field magnetotransport properties of La0.7Sr0.3MnO3-based nanocomposite thin films
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7:4:3:12 Magnetotransport properties of quasi-one-dimensionally channeled vertically aligned heteroepitaxial nanomazes
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7:4:3:13 Strain relaxation and enhanced perpendicular magnetic anisotropy in BiFeO3:CoFe2O4 vertically aligned nanocomposite thin films
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7:4:3:14 Integration of Self-Assembled Vertically Aligned Nanocomposite (La0.7Sr0.3MnO3)(1-x):(ZnO)(x) Thin Films on Silicon Substrates
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7:4:3:15 Microstructural and magnetic properties of (La0.7Sr0.3MnO3)(0.7):(Mn3O4)(0.3) nanocomposite thin films
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7:4:3:16 Influence of microstructure and interfacial strain on the magnetic properties of epitaxial Mn3O4/La0.7Sr0.3MnO3 layered-composite thin films
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7:4:3:17 Large Magnetoresistance in Magnetically Coupled SrRuO3-CoFe2O4 Self-Assembled Nanostructures
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7:4:3:18 Preparation of La0.7Sr0.3Mn1+xOy (1 <= x <= 4) thin films by chemical solution deposition: Dual epitaxy and possible spinodal growth
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7:4:3:19 Enhanced low-field magnetoresistance in LSMO/SFO composite system
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7:4:3:20 Extremely High Tunability and Low Loss in Nanoscaffold Ferroelectric Films
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7:4:3:21 Epitaxial Photostriction-Magnetostriction Coupled Self-Assembled Nanostructures
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7:4:3:22 Enhanced Low-Field Magnetoresistance in La0.71Sr0.29MnO3 Nanoparticles Synthesized by the Nonaqueous Sol-Gel Route
DOI:10.1021/cm4041665 JN:CHEMISTRY OF MATERIALS PY:2014 TC:6 AU: Sadhu, Anustup;Bhattacharyya, Sayan;
7:4:3:23 Enhanced low-field magnetoresistance in La0.67Sr0.33MnO3:MgO composite films
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7:4:3:24 Strong oxygen pressure dependence of ferroelectricity in BaTiO3/SrRuO3/SrTiO3 epitaxial heterostructures
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7:4:3:25 Electric-Field Control of Ferromagnetism in a Nanocomposite via a ZnO Phase
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7:4:3:26 Combinatorial Growth and Anisotropy Control of Self-Assembled Epitaxial Ultrathin Alloy Nanowires
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7:4:3:27 Role of modulus mismatch in vertically aligned nanocomposite formation during spinodal decomposition in constrained films
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7:4:3:28 Strong room temperature exchange bias in self-assembled BiFeO3-Fe3O4 nanocomposite heteroepitaxial films
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7:4:3:29 Manipulating leakage behavior via distribution of interfaces in oxide thin films
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7:4:3:30 Growth kinetics engineered magnetoresistance response in La2/3Sr1/3MnO3 thin films
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7:4:3:31 Structural Characterization and Magnetic and Electrical Properties of La0.7Ca0.3MnO3-La1.5Sr0.5NiO4 Nanocomposites
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7:4:3:32 Microstructure Map for Self-Organized Phase Separation during Film Deposition
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7:4:3:33 Tuning Electronic Transport in a Self-Assembled Nanocomposite
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7:4:3:34 Systematic study of magnetotransport properties and enhanced low-field magnetoresistance in thin films of La0.67Sr0.33MnO3 + Mg(O)
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7:4:3:35 La0.7Ca0.3MnO3/Mn3O4 composites: Does an insulating secondary phase always enhance the low field magnetoresistance of manganites?
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7:4:3:36 Reentrant insulating state in ultrathin manganite films
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7:4:3:37 Structure and magnetotransport properties of epitaxial nanocomposite La0.67Ca0.33MnO3:SrTiO3 thin films grown by a chemical solution approach
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7:4:3:38 Ziz-zag interface and strain-influenced ferromagnetism in epitaxial Mn3O4/La0.7Sr0.3MnO3 thin films grown on SrTiO3 (100) substrates
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7:4:3:39 Nanocomposite lanthanum strontium manganite thin films formed by using a chemical solution deposition
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7:4:3:40 Electronic tuning of La2/3Sr1/3MnO3 thin films via heteroepitaxy
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7:4:3:41 Magnetic properties of (CoFe2O4)(x):(CeO2)(1-x) vertically aligned nanocomposites and their pinning properties in YBa2Cu3O7-delta thin films
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7:4:3:42 Interfacial defects distribution and strain coupling in the vertically aligned nanocomposite YBa2Cu3O7-X/BaSnO3 thin films
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7:4:3:43 Large, Controllable Spikes of Magnetoresistance in La2/3Ca1/3MnO3/SrTiO3 Superlattices
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7:4:3:44 Frequency dependence of magnetoelectric effect in epitaxial La0.7Sr0.3MnO3/BaTiO3 bilayer film
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7:4:3:45 Low-Field Magnetoresistance in La0.67Sr0.33MnO3:ZnO Composite Film
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7:4:3:46 Electrical transport and magnetoresistance in La2/3Ca1/3MnO3/BaZrO3 composites
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7:4:3:47 Nanocomposite stability in Fe-, Co-, and Mn-based perovskite/spinel systems
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7:4:3:48 Concurrent spinodal decomposition and surface roughening in thin solid films
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7:4:3:49 Tuning properties of columnar nanocomposite oxides
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7:4:3:50 Enhanced low field magnetoresistance in La0.7Sr0.3MnO3-La2O3 composites
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7:4:3:51 Magneto-transport and magnetic properties of (1-x) La0.7Ca0.3MnO3+xAl(2)O(3) composites
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7:4:3:52 Electrical properties and enhanced room temperature magnetoresistance in La0.7Ca0.2Sr0.1MnO3/Pd composites prepared by chemical plating
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7:4:3:53 Magnetotransport properties of Pr0.5Ca0.5MnO3 thin films grown by a solution route
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7:4:3:54 Interface lattice displacement measurement to 1 pm by geometric phase analysis on aberration-corrected HAADF STEM images
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7:4:3:55 Giant positive magnetoresistance in heterostructure (La0.7Sr0.3MnO3) coated with YBa2Cu3O7 composites
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7:4:3:56 Temperature and voltage stress dependent dielectric relaxation process of the doped Ba0.67Sr0.33TiO3 ceramics
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7:4:3:57 Magnetotransport properties of quasi-one-dimensionally channeled vertically aligned heteroepitaxial nanomazes (vol 102, 093114, 2013)
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7:4:3:58 Enhanced Low-Field Magnetoresistance in La0.71Sr0.29MnO3 Nanoparticles Synthesized by the Nonaqueous Sol-Gel Route (vol 26, pg 1702, 2014)
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7:4:3:59 Intrinsic and extrinsic transport properties of Pr0.67Ba0.33MnO3:Ag2O composites
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7:4:4:2 Flexural deformation in a compositionally stepped ferrite and magnetoelectric effects in a composite with piezoelectrics
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7:4:4:6 Giant self-biased magnetoelectric coupling in co-fired textured layered composites
DOI:10.1063/1.4791685 JN:APPLIED PHYSICS LETTERS PY:2013 TC:12 AU: Yan, Yongke;Zhou, Yuan;Priya, Shashank;
7:4:4:7 Direct and converse effect in magnetoelectric laminate composites
DOI:10.1063/1.3584863 JN:APPLIED PHYSICS LETTERS PY:2011 TC:17 AU: Cho, Kyung-Hoon;Priya, Shashank;
7:4:4:8 High sensitivity magnetic sensor consisting of ferromagnetic alloy, piezoelectric ceramic and high-permeability FeCuNbSiB
DOI:10.1016/j.jallcom.2011.01.173 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:35 AU: Chen, Lei;Li, Ping;Wen, Yumei;Wang, Dong;
7:4:4:9 Magneto-electric effects in functionally stepped magnetic nanobilayers on ferroelectric substrates: Observation and theory on the influence of interlayer exchange coupling
DOI:10.1063/1.4878458 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Gribov, I. V.;Osotov, V. I.;Nosov, A. P.;Petrov, V. M.;Sreenivasulu, G.;Srinivasan, G.;
7:4:4:10 Enhancement of resonant magnetoelectric effect in magnetostrictive/piezoelectric heterostructure by end bonding
DOI:10.1063/1.4799967 JN:APPLIED PHYSICS LETTERS PY:2013 TC:12 AU: Lu, Caijiang;Li, Ping;Wen, Yumei;Yang, Aichao;He, Wei;Zhang, Jitao;
7:4:4:11 Giant self-biased magnetoelectric response with obvious hysteresis in layered homogeneous composites of negative magnetostrictive material Samfenol and piezoelectric ceramics
DOI:10.1063/1.4829634 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Zhang, Jitao;Li, Ping;Wen, Yumei;He, Wei;Yang, Aichao;Lu, Caijiang;
7:4:4:12 Magnetoelectric coupling characteristics of five-phase laminate composite transducers based on nanocrystalline soft magnetic alloy
DOI:10.1063/1.4868983 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Qiu, Jing;Wen, Yumei;Li, Ping;Chen, Hengjia;
7:4:4:13 Enhanced magnetoelectric effect in longitudinal-longitudinal mode laminate with cofired interdigitated electrodes
DOI:10.1063/1.4862183 JN:APPLIED PHYSICS LETTERS PY:2014 TC:3 AU: Yan, Yongke;Zhou, Yuan;Priya, Shashank;
7:4:4:14 Magnetization-graded multiferroic composite and magnetoelectric effects at zero bias
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7:4:4:15 Dual-phase self-biased magnetoelectric energy harvester
DOI:10.1063/1.4829151 JN:APPLIED PHYSICS LETTERS PY:2013 TC:9 AU: Zhou, Yuan;Apo, Daniel J.;Priya, Shashank;
7:4:4:16 Resonance magnetoelectric couplings of piezoelectric ceramic and ferromagnetic constant-elasticity alloy composites with different layer structures
DOI:10.1016/j.jallcom.2012.12.007 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:10 AU: Chen, Lei;Li, Ping;Wen, Yumei;Zhu, Yong;
7:4:4:17 Zero-biased magnetoelectric composite Fe73.5Cu1Nb3Si13.5B9/Ni/Pb(Zr1-x,Tix)O-3 for current sensing
DOI:10.1016/j.jallcom.2013.12.038 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:8 AU: Lu, Caijiang;Li, Ping;Wen, Yumei;Yang, Aichao;Yang, Chao;Wang, Decai;He, Wei;Zhang, Jitao;
7:4:4:18 Magnetoelectric properties and magnetomechanical energy harvesting from stray vibration and electromagnetic wave by Pb(Mg1/3Nb2/3)O-3-Pb(Zr,Ti)O-3 single crystal/Ni cantilever
DOI:10.1063/1.4804959 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:14 AU: Kambale, Rahul C.;Yoon, Woon-Ha;Park, Dong-Soo;Choi, Jong-Jin;Ahn, Cheol-Woo;Kim, Jong-Woo;Hahn, Byung-Dong;Jeong, Dae-Yong;Lee, Byung Chul;Chung, Gwiy-Sang;Ryu, Jungho;
7:4:4:19 Investigation of magnetostrictive/piezoelectric multilayer composite with a giant zero-biased magnetoelectric effect
DOI:10.1007/s00339-013-7557-y JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:16 AU: Lu, Caijiang;Li, Ping;Wen, Yumei;Yang, Aichao;He, Wei;Zhang, Jitao;Yang, Jin;Wen, Jing;Zhu, Yong;Yu, Miao;
7:4:4:20 Enhanced sensitivity of magnetoelectric sensors by tuning the resonant frequency
DOI:10.1063/1.3617428 JN:APPLIED PHYSICS LETTERS PY:2011 TC:9 AU: Petrie, Jonathan R.;Fine, Jonathan;Mandal, Sanjay;Sreenivasulu, Gollapudi;Srinivasan, Gopalan;Edelstein, Alan S.;
7:4:4:21 Giant self-biased magnetoelectric coupling characteristics of three-phase composite with end-bonding structure
DOI:10.1063/1.4904799 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Huang, Dongyan;Lu, Caijiang;Han, Bing;Wang, Xin;Li, Chenxiao;Xu, Changbao;Gui, Junguo;Lin, Chenghui;
7:4:4:22 Magnetoelectric effects in multilayered magnetostrictive/piezoelectric composites with Fe-based nanocrystalline alloy at zero bias magnetic field
DOI:10.1016/j.jallcom.2014.01.163 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Chen, Lei;Li, Ping;Wen, Yumei;Zhu, Yong;
7:4:4:23 High magnetic field sensitivity in Pb(Zr,Ti)O(3)-Pb(Mg(1/3)Nb(2/3))O(3) single crystal/Terfenol-D/Metglas magnetoelectric laminate composites
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7:4:4:24 Self-biased converse magnetoelectric effect
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7:4:4:25 Multiple broadband magnetoelectric response in thickness-controlled Ni/[011] Pb(Mg1/3Nb2/3)O-3-Pb(Zr,Ti)O-3 single crystal/Ni laminates
DOI:10.1063/1.4817383 JN:APPLIED PHYSICS LETTERS PY:2013 TC:8 AU: Patil, Deepak Rajaram;Kambale, Rahul C.;Chai, Yisheng;Yoon, Woon-Ha;Jeong, Dae-Yong;Park, Dong-Soo;Kim, Jong-Woo;Choi, Jong-Jin;Ahn, Cheol-Woo;Hahn, Byung-Dong;Zhang, Shujun;Kim, Kee Hoon;Ryu, Jungho;
7:4:4:26 Enhancement of resonant and non-resonant magnetoelectric coupling in multiferroic laminates with anisotropic piezoelectric properties
DOI:10.1063/1.4792590 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Patil, Deepak Rajaram;Chai, Yisheng;Kambale, Rahul C.;Jeon, Byung-Gu;Yoo, Kyongjun;Ryu, Jungho;Yoon, Woon-Ha;Park, Dong-Soo;Jeong, Dae-Yong;Lee, Sang-Goo;Lee, Jeongho;Nam, Joong-Hee;Cho, Jeong-Ho;Kim, Byung-Ik;Kim, Kee Hoon;
7:4:4:27 Anisotropic self-biased dual- phase low frequency magneto-mechano-electric energy harvesters with giant power densities
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7:4:4:28 Large self-biased effect and dual-peak magnetoelectric effect in different three-phase magnetostrictive/piezoelectric composites
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7:4:4:29 Enhanced Magnetodielectric Effect in Graded CoFe2O4/Pb(Zr0.52Ti0.48)O-3 Particulate Composite Films
DOI:10.1111/jace.12772 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:1 AU: Chen, Bo;Wang, Jun-Yong;Zhou, Ming-Xiu;Wan, Jian-Guo;Liu, Jun-Ming;
7:4:4:30 Highly zero-biased magnetoelectric response in magnetostrictive/piezoelectric composite
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7:4:4:31 Zigzag-shaped piezoelectric based high performance magnetoelectric laminate composite
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7:4:4:32 Giant self-biased converse magnetoelectric effect in multiferroic heterostructure with single-phase magnetostrictive materials
DOI:10.1063/1.4900929 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Zhang, Jitao;Li, Ping;Wen, Yumei;He, Wei;Yang, Aichao;Wang, Decai;Yang, Chao;Lu, Caijiang;
7:4:4:33 Near-flat self-biased magnetoelectric response in geometry gradient composite
DOI:10.1063/1.4868340 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Zhou, Yuan;Priya, Shashank;
7:4:4:34 Effect of intensive and extensive loss factors on the dynamic response of magnetoelectric laminates
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7:4:4:35 Self-Bias Response of Lead-Free (1-x)[0.948 K0.5Na0.5NbO3-0.052 LiSbO3]-xNi(0.8)Zn(0.2)Fe(2)O(4)-Nickel Magnetoelectric Laminate Composites
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7:4:4:36 Self-biased large magnetoelectric coupling in co-sintered Bi0.5Na0.5TiO3 based piezoelectric and CoFe2O4 based magnetostrictive bilayered composite
DOI:10.1063/1.4904758 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Kumari, Mukesh;Singh, Amrita;Gupta, Arti;Prakash, Chandra;Chatterjee, Ratnamala;
7:4:4:37 Dynamic magnetostrictive properties of magnetization-graded ferromagnetic material and application in magnetoelectric composite
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7:4:4:38 Magnetoelectric Laminate Composite: Effect of Piezoelectric Layer on Magnetoelectric Properties
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7:4:4:39 Cofired Magnetoelectric Laminate Composites
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7:4:4:40 Co-fired magnetoelectric transformer
DOI:10.1063/1.4883492 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Zhou, Yuan;Yan, Yongke;Priya, Shashank;
7:4:4:41 Shifting the operating frequency of magnetoelectric sensors
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7:4:4:42 Magnetoelectric effects in functionally graded multiferroic bilayers
DOI:10.1063/1.4792657 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Zhang, C. L.;Chen, W. Q.;Zhang, Ch.;
7:4:4:43 The magnetostrictive material effects on magnetic field sensitivity for magnetoelectric sensor
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7:4:4:44 Enhanced magnetoelectric properties in three-phase composites with 2-1-2 connectivity
DOI:10.1080/14786435.2010.510451 JN:PHILOSOPHICAL MAGAZINE PY:2010 TC:4 AU: Park, Chee-Sung;Ahn, Cheolwoo;Priya, Shashank;
7:4:4:45 Controlled synthesis of MnFe2O4-Ni core-shell nanoparticles
DOI:10.1007/s10853-009-4110-7 JN:JOURNAL OF MATERIALS SCIENCE PY:2010 TC:2 AU: Yang, Su-Chul;Ahn, Cheol-Woo;Park, Chee-Sung;Yang, Yaodong;Viehland, Dwight;Priya, Shashank;
7:4:5:1 Origin of the Magnetoelectric Coupling Effect in Pb(Zr0.2Ti0.8)O-3/La0.8Sr0.2MnO3 Multiferroic Heterostructures
DOI:10.1103/PhysRevLett.104.127202 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:94 AU: Vaz, C. A. F.;Hoffman, J.;Segal, Y.;Reiner, J. W.;Grober, R. D.;Zhang, Z.;Ahn, C. H.;Walker, F. J.;
7:4:5:2 Artificial multiferroic heterostructures
DOI:10.1039/c3tc31428f JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2013 TC:10 AU: Vaz, Carlos Antonio Fernandes;Staub, Urs;
7:4:5:3 Microscopic model for the ferroelectric field effect in oxide heterostructures
DOI:10.1103/PhysRevB.84.155117 JN:PHYSICAL REVIEW B PY:2011 TC:15 AU: Dong, Shuai;Zhang, Xiaotian;Yu, Rong;Liu, J-M;Dagotto, Elbio;
7:4:5:4 Electric modulation of magnetization at the BaTiO3/La0.67Sr0.33MnO3 interfaces
DOI:10.1063/1.4726427 JN:APPLIED PHYSICS LETTERS PY:2012 TC:29 AU: Lu, H.;George, T. A.;Wang, Y.;Ketsman, I.;Burton, J. D.;Bark, C. -W.;Ryu, S.;Kim, D. J.;Wang, J.;Binek, C.;Dowben, P. A.;Sokolov, A.;Eom, C. -B.;Tsymbal, E. Y.;Gruverman, A.;
7:4:5:5 In situ magnetometry studies of magnetoelectric LSMO/PZT heterostructures
DOI:10.1103/PhysRevB.87.094416 JN:PHYSICAL REVIEW B PY:2013 TC:8 AU: Leufke, Philipp M.;Kruk, Robert;Brand, Richard A.;Hahn, Horst;
7:4:5:6 Thickness-Dependent Crossover from Charge- to Strain-Mediated Magnetoelectric Coupling in Ferromagnetic/Piezoelectric Oxide Heterostructures
DOI:10.1021/nn405636c JN:ACS NANO PY:2014 TC:6 AU: Spurgeon, Steven R.;Sloppy, Jennifer D.;Kepaptsoglou, Despoina Maria (Demie);Balachandran, Prasanna V.;Nejati, Siamak;Karthik, J.;Damodaran, Anoop R.;Johnson, Craig L.;Ambaye, Hailemariam;Goyette, Richard;Lauter, Valeria;Ramasse, Quentin M.;Idrobo, Juan Carlos;Lau, Kenneth K. S.;Lofland, Samuel E., Jr.;Rondinelli, James M.;Martin, Lane W.;Taheri, Mitra L.;
7:4:5:7 Temperature dependence of the magnetoelectric effect in Pb(Zr0.2Ti0.8)O-3/La0.8Sr0.2MnO3 multiferroic heterostructures
DOI:10.1063/1.3472259 JN:APPLIED PHYSICS LETTERS PY:2010 TC:26 AU: Vaz, C. A. F.;Segal, Y.;Hoffman, J.;Grober, R. D.;Walker, F. J.;Ahn, C. H.;
7:4:5:8 Electric field tuning of phase separation in manganite thin films
DOI:10.1103/PhysRevB.89.014425 JN:PHYSICAL REVIEW B PY:2014 TC:2 AU: Lourembam, James;Wu, Jianchun;Ding, Junfeng;Lin, Weinan;Wu, Tom;
7:4:5:9 Magnetoelastic coupling in La0.7Ca0.3MnO3/BaTiO3 ultrathin films
DOI:10.1103/PhysRevB.88.134410 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Alberca, A.;Nemes, N. M.;Mompean, F. J.;Feher, T.;Simon, F.;Tornos, J.;Leon, C.;Munuera, C.;Kirby, B. J.;Fitzsimmons, M. R.;Hernando, A.;Santamaria, J.;Garcia-Hernandez, M.;
7:4:5:10 Full control of magnetism in a manganite bilayer by ferroelectric polarization
DOI:10.1103/PhysRevB.88.140404 JN:PHYSICAL REVIEW B PY:2013 TC:6 AU: Dong, Shuai;Dagotto, Elbio;
7:4:5:11 Large-distance rf- and dc-sputtering of epitaxial La1-xSrxMnO3 thin films
DOI:10.1016/j.tsf.2012.04.064 JN:THIN SOLID FILMS PY:2012 TC:10 AU: Leufke, Philipp M.;Mishra, Ajay Kumar;Beck, Andre;Wang, Di;Kuebel, Christian;Kruk, Robert;Hahn, Horst;
7:4:5:12 Ferroelectric control of magnetization in La1-xSrxMnO3 manganites: A first-principles study
DOI:10.1103/PhysRevB.86.024433 JN:PHYSICAL REVIEW B PY:2012 TC:9 AU: Chen, Hanghui;Ismail-Beigi, Sohrab;
7:4:5:13 Ferroelectric substrate effects on the magnetism, magnetotransport, and electroresistance of La0.7Ca0.3MnO3 thin films on BaTiO3
DOI:10.1103/PhysRevB.86.144416 JN:PHYSICAL REVIEW B PY:2012 TC:7 AU: Alberca, A.;Munuera, C.;Tornos, J.;Mompean, F. J.;Biskup, N.;Ruiz, A.;Nemes, N. M.;de Andres, A.;Leon, C.;Santamaria, J.;Garcia-Hernandez, M.;
7:4:5:14 Magnetic properties of BaTiO3/La0.7Sr0.3MnO3 thin films integrated on Si(100)
DOI:10.1063/1.4903322 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Singamaneni, Srinivasa Rao;Fan, Wu;Prater, J. T.;Narayan, J.;
7:4:5:15 Origin of 90 degrees domain wall pinning in Pb(Zr0.2Ti0.8)O-3 heteroepitaxial thin films
DOI:10.1063/1.3634028 JN:APPLIED PHYSICS LETTERS PY:2011 TC:11 AU: Su, Dong;Meng, Qingping;Vaz, C. A. F.;Han, Myung-Geun;Segal, Yaron;Walker, Fred J.;Sawicki, Monica;Broadbridge, Christine;Ahn, Charles H.;
7:4:5:16 Charge control of antiferromagnetism at PbZr0.52Ti0.48O3/La0.67Sr0.33MnO3 interface
DOI:10.1063/1.4870507 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Ma, X.;Kumar, A.;Dussan, S.;Zhai, H.;Fang, F.;Zhao, H. B.;Scott, J. F.;Katiyar, R. S.;Luepke, G.;
7:4:5:17 Magnetic and electronic structure of ultrathin La1-xSrxMnO3 films at half doping
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7:4:5:18 Reversible Modulation of Orbital Occupations via an Interface-Induced Polar State in Metallic Manganites
DOI:10.1021/nl501209p JN:NANO LETTERS PY:2014 TC:8 AU: Chen, Hanghui;Qiao, Qiao;Marshall, Matthew S. J.;Georgescu, Alexandru B.;Gulec, Ahmet;Phillips, Patrick J.;Klie, Robert F.;Walker, Frederick J.;Ahn, Charles H.;Ismail-Beigi, Sohrab;
7:4:5:19 Probing ferromagnetic/ferroelectric interfaces via spin wave resonance
DOI:10.1063/1.4789761 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Zhao, Y. -L.;Sun, Y.;Pan, L. -Q.;Li, K. -S.;Yu, D. -B.;
7:4:5:20 Room temperature reversible tuning of magnetism of electrolyte-gated La0.75Sr0.25MnO3 nanoparticles
DOI:10.1063/1.4778918 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Mishra, A. K.;Darbandi, Azad J.;Leufke, Philipp M.;Kruk, Robert;Hahn, Horst;
7:4:5:21 Growth and characterization of PZT/LSMO multiferroic heterostructures
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7:4:5:22 Tailoring the interfacial magnetic anisotropy in multiferroic field-effect devices
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7:4:5:23 Direct Evidence for Cation Non-Stoichiometry and Cottrell Atmospheres Around Dislocation Cores in Functional Oxide Interfaces
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7:4:5:24 Exotic magnetic anisotropy map in epitaxial La0.7Ca0.3MnO3 films on BaTiO3
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7:4:5:25 Control of magnetism in Pb(Zr0.2Ti0.8)O-3/La0.8Sr0.2MnO3 multiferroic heterostructures (invited)
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7:4:5:26 Ordered Mesoporous Thin Film Ferroelectrics of Biaxially Textured Lead Zirconate Titanate (PZT) by Chemical Solution Deposition
DOI:10.1021/cm500381g JN:CHEMISTRY OF MATERIALS PY:2014 TC:3 AU: Reitz, Christian;Leufke, Philipp M.;Hahn, Horst;Brezesinski, Torsten;
7:4:5:27 Electric field modulation of magnetism and electric properties in La-Ca-MnO3/Pb(Zr0.52Ti0.48)O-3 magnetoelectric laminate
DOI:10.1063/1.4795871 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Chen, Shuiyuan;Zhang, Huiqin;Liu, Fengjin;Ye, Qingying;Tang, Lei;Huang, Zhigao;Wang, Dunhui;
7:4:5:28 Ferroelectric vs. structural properties of large-distance sputtered epitaxial LSMO/PZT heterostructures
DOI:10.1063/1.4756997 JN:AIP ADVANCES PY:2012 TC:3 AU: Leufke, Philipp M.;Kruk, Robert;Wang, Di;Kuebel, Christian;Hahn, Horst;
7:4:5:29 Chemistry of Ruddlesden-Popper planar faults at a ferroelectric-ferromagnet perovskite interface
DOI:10.1063/1.3569858 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Arredondo, M.;Weyland, M.;Hambe, M.;Ramasse, Q. M.;Munroe, P.;Nagarajan, V.;
7:4:5:30 Effect of processing kinetics on the structure of ferromagnetic-ferroelectric-ferromagnetic interfaces
DOI:10.1063/1.4765045 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Krishnan, P. S. Sankara Rama;Ramasse, Q. M.;Liang, Wen-I;Chu, Ying-Hao;Nagarajan, V.;Munroe, P.;
7:4:5:31 Magnetic domain wall propagation under ferroelectric control
DOI:10.1103/PhysRevB.86.235130 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;
7:4:5:32 Phonon scattering of interfacial strain field between dissimilar lattices
DOI:10.1103/PhysRevB.87.064102 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Meng, Qingping;Wu, Lijun;Zhu, Yimei;
7:4:5:33 Polarization Dependence of Palladium Deposition on Ferroelectric Lithium Niobate (0001) Surfaces
DOI:10.1103/PhysRevLett.107.076102 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:1 AU: Kim, Seungchul;Schoenberg, Michael Rutenberg;Rappe, Andrew M.;
7:4:6:1 Giant magnetoelectric coefficients in (Fe90Co10)(78)Si12B10-AlN thin film composites
DOI:10.1063/1.3377908 JN:APPLIED PHYSICS LETTERS PY:2010 TC:82 AU: Greve, Henry;Woltermann, Eric;Quenzer, Hans-Joachim;Wagner, Bernhard;Quandt, Eckhard;
7:4:6:2 Low damping resonant magnetoelectric sensors
DOI:10.1063/1.3497277 JN:APPLIED PHYSICS LETTERS PY:2010 TC:39 AU: Greve, Henry;Woltermann, Eric;Jahns, Robert;Marauska, Stephan;Wagner, Bernhard;Knoechel, Reinhard;Wuttig, Manfred;Quandt, Eckhard;
7:4:6:3 Energy harvesting properties of all-thin-film multiferroic cantilevers
DOI:10.1063/1.3662037 JN:APPLIED PHYSICS LETTERS PY:2011 TC:22 AU: Onuta, Tiberiu-Dan;Wang, Yi;Long, Christian J.;Takeuchi, Ichiro;
7:4:6:4 Piezoelectric single crystal langatate and ferromagnetic composites: Studies on low-frequency and resonance magnetoelectric effects
DOI:10.1063/1.3679661 JN:APPLIED PHYSICS LETTERS PY:2012 TC:20 AU: Sreenivasulu, G.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;
7:4:6:5 Direct and converse magnetoelectric effects in Metglas/LiNbO3/Metglas trilayers
DOI:10.1063/1.4816400 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Timopheev, A. A.;Vidal, J. V.;Kholkin, A. L.;Sobolev, N. A.;
7:4:6:6 Giant magnetoelectric effect at low frequencies in polymer-based thin film composites
DOI:10.1063/1.4860664 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Kulkarni, A.;Meurisch, K.;Teliban, I.;Jahns, R.;Strunskus, T.;Piorra, A.;Knoechel, R.;Faupel, F.;
7:4:6:7 A permendur-piezoelectric multiferroic composite for low-noise ultrasensitive magnetic field sensors
DOI:10.1063/1.4705305 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Sreenivasulu, G.;Laletin, U.;Petrov, V. M.;Petrov, V. V.;Srinivasan, G.;
7:4:6:8 Enhanced sensitivity to direct current magnetic field changes in Metglas/Pb(Mg(1/3)Nb(2/3))O(3)-PbTiO(3) laminates
DOI:10.1063/1.3569629 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:23 AU: Gao, Junqi;Shen, Liangguo;Wang, Yaojing;Gray, David;Li, Jiefang;Viehland, D.;
7:4:6:9 Resonance magnetoelectric effects in a layered composite under magnetic and electrical excitations
DOI:10.1063/1.4733466 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Fetisov, L. Y.;Chashin, D. V.;Fetisov, Y. K.;Segalla, A. G.;Srinivasan, G.;
7:4:6:10 Theoretical and experimental investigation of magnetoelectric effect for bending-tension coupled modes in magnetostrictive-piezoelectric layered composites
DOI:10.1063/1.4732130 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:13 AU: Hasanyan, D.;Gao, J.;Wang, Y.;Viswan, R.;Li, M.;Shen, Y.;Li, J.;Viehland, D.;
7:4:6:11 Multiferroic composite for combined detection of static and alternating magnetic fields
DOI:10.1016/j.matlet.2011.08.094 JN:MATERIALS LETTERS PY:2012 TC:16 AU: Vopsaroiu, M.;Cain, M. G.;Sreenivasulu, G.;Srinivasan, G.;Balbashov, A. M.;
7:4:6:12 Theory of magnetoelectric effect in multilayer nanocomposites on a substrate: Static bending-mode response
DOI:10.1063/1.4790630 JN:AIP ADVANCES PY:2013 TC:14 AU: Krantz, Matthias C.;Gerken, Martina;
7:4:6:13 Giant converse magnetoelectric effect of AlN-(Fe90Co10)(78)Si12B10 thin film composites
DOI:10.1016/j.jallcom.2013.01.150 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:4 AU: Tong, B.;Yang, X. F.;Ouyang, J.;Lin, G. Q.;Chen, S.;
7:4:6:14 Comparison of noise floor and sensitivity for different magnetoelectric laminates
DOI:10.1063/1.3486483 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:18 AU: Gao, Junqi;Das, Jaydip;Xing, Zengping;Li, Jiefang;Viehland, D.;
7:4:6:15 Voltage bias influence on the converse magnetoelectric effect of PZT/terfenol-D/PZT laminates
DOI:10.1063/1.3553885 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:15 AU: Hockel, Joshua L.;Wu, Tao;Carman, Gregory P.;
7:4:6:16 Multiferroic bending mode resonators and studies on temperature dependence of magnetoelectric interactions
DOI:10.1063/1.4729124 JN:APPLIED PHYSICS LETTERS PY:2012 TC:2 AU: Burdin, D. A.;Chashin, D. V.;Ekonomov, N. A.;Fetisov, Y. K.;Srinivasan, G.;
7:4:6:17 Giant magnetoelectric effect in vacuum
DOI:10.1063/1.4810750 JN:APPLIED PHYSICS LETTERS PY:2013 TC:9 AU: Kirchhof, Christine;Krantz, Matthias;Teliban, Iulian;Jahns, Robert;Marauska, Stephan;Wagner, Bernhard;Knoechel, Reinhard;Gerken, Martina;Meyners, Dirk;Quandt, Eckhard;
7:4:6:18 Shear strain mediated magneto-electric effects in composites of piezoelectric lanthanum gallium silicate or tantalate and ferromagnetic alloys
DOI:10.1063/1.4891536 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Sreenivasulu, G.;Qu, P.;Piskulich, E.;Petrov, V. M.;Fetisov, Y. K.;Nosov, A. P.;Qu, Hongwei;Srinivasan, G.;
7:4:6:19 Giant Magnetoelectric Effect in Thin-Film Composites
DOI:10.1111/jace.12400 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:16 AU: Jahns, Robert;Piorra, Andre;Lage, Enno;Kirchhof, Christine;Meyners, Dirk;Gugat, Jascha Lukas;Krantz, Matthias;Gerken, Martina;Knoechel, Reinhard;Quandt, Eckhard;
7:4:6:20 Exchange biased magnetoelectric composites for vector field magnetometers
DOI:10.1063/1.4798791 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:7 AU: Lage, Enno;Woltering, Frederik;Quandt, Eckhard;Meyners, Dirk;
7:4:6:21 Temperature dependence of magnetoelectric coupling in FeBSiC/PZT/FeBSiC laminates
DOI:10.1063/1.4893371 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Ye, Jun-Xian;Ma, Jian-Nan;Ma, Jing;Hu, Jia-Mian;Li, Zheng;Feng, Ming;Zhang, Q. M.;Nan, C. W.;
7:4:6:22 Theory of magnetoelectric effect in multilayer nanocomposites on a substrate: Resonant bending-mode response
DOI:10.1063/1.4808204 JN:AIP ADVANCES PY:2013 TC:8 AU: Krantz, Matthias C.;Gerken, Martina;
7:4:6:23 A vibration energy harvester using magnet/piezoelectric composite transducer
DOI:10.1063/1.4867599 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:4 AU: Qiu, Jing;Chen, Hengjia;Wen, Yumei;Li, Ping;Yang, Jin;Li, Wenli;
7:4:6:24 High-sensitivity laminated magnetoelectric sensors without bias in composite of positive/negative giant magnetostrictive materials and piezoelectric single crystals
DOI:10.1063/1.4865973 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Zhang, Jitao;Li, Ping;Wen, Yumei;He, Wei;Yang, Jin;Li, Ming;Yang, Aichao;Lu, Caijiang;Li, Wenli;
7:4:6:25 Amorphous FeCoSiB for exchange bias coupled and decoupled magnetoelectric multilayer systems: Real-structure and magnetic properties
DOI:10.1063/1.4896662 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Hrkac, V.;Lage, E.;Koeppel, G.;Strobel, J.;McCord, J.;Quandt, E.;Meyners, D.;Kienle, L.;
7:4:6:26 Fully integrable magnetic field sensor based on delta-E effect
DOI:10.1063/1.3664135 JN:APPLIED PHYSICS LETTERS PY:2011 TC:11 AU: Gojdka, B.;Jahns, R.;Meurisch, K.;Greve, H.;Adelung, R.;Quandt, E.;Knoechel, R.;Faupel, F.;
7:4:6:27 Solving the electrical control of magnetic coercive field paradox
DOI:10.1063/1.4896521 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Vopson, M. M.;Lepadatu, S.;
7:4:6:28 A critical evaluation of the 0-3 approach for magnetoelectric nanocomposites with metallic nanoparticles
DOI:10.1063/1.4745892 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Gojdka, B.;Hrkac, V.;Xiong, J.;Gerken, M.;Kienle, L.;Strunskus, T.;Zaporojtchenko, V.;Faupel, F.;
7:4:6:29 Low-frequency nanotesla sensitivity in Metglas/piezoelectric/carbon fiber/piezoelectric composites with active tip mass
DOI:10.1063/1.3552970 JN:APPLIED PHYSICS LETTERS PY:2011 TC:6 AU: Park, Chee-Sung;Avirovik, Dragan;Bressers, Scott;Priya, Shashank;
7:4:6:30 Dual wavelength magneto-optical imaging of magnetic thin films
DOI:10.1063/1.4824426 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: von Hofe, Thomas;Urs, Necdet Onur;Mozooni, Babak;Jansen, Thomas;Kirchhof, Christine;Buergler, Daniel E.;Quandt, Eckhard;McCord, Jeffrey;
7:4:6:31 Origin of hysteretic magnetoelastic behavior in magnetoelectric 2-2 composites
DOI:10.1063/1.4901948 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Urs, Necdet Onur;Teliban, Iulian;Piorra, Andre;Knoechel, Reinhard;Quandt, Eckhard;McCord, Jeffrey;
7:4:6:32 Exchange biasing of magnetoelectric composites
DOI:10.1038/NMAT3306 JN:NATURE MATERIALS PY:2012 TC:66 AU: Lage, Enno;Kirchhof, Christine;Hrkac, Viktor;Kienle, Lorenz;Jahns, Robert;Knoechel, Reinhard;Quandt, Eckhard;Meyners, Dirk;
7:4:6:33 Resonance line shape, strain and electric potential distributions of composite magnetoelectric sensors
DOI:10.1063/1.4811369 JN:AIP ADVANCES PY:2013 TC:2 AU: Gerken, Martina;
7:4:6:34 Resonant magnetoelectric response of cantilevers with magnetostrictive and piezoelectric layers on opposite sides of the substrate
DOI:10.1063/1.4812873 JN:AIP ADVANCES PY:2013 TC:2 AU: Krantz, Matthias C.;Gugat, Jascha L.;Gerken, Martina;
7:4:6:35 Magnetoelectric thin film composites with interdigital electrodes
DOI:10.1063/1.4812706 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Piorra, A.;Jahns, R.;Teliban, I.;Gugat, J. L.;Gerken, M.;Knoechel, R.;Quandt, E.;
7:4:6:36 Magnetic domain control and voltage response of exchange biased magnetoelectric composites
DOI:10.1063/1.4870511 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Lage, E.;Urs, N. O.;Roebisch, V.;Teliban, I.;Knoechel, R.;Meyners, D.;McCord, J.;Quandt, E.;
7:4:6:37 Large converse magnetoelectric effect in ferromagnetic shape memory alloy Ni49Fe18Ga27Co6 and Pb(Zr0.52Ti0.48)O-3 laminates
DOI:10.1016/j.jallcom.2011.12.098 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:2 AU: Xuan, H. C.;Wang, L. Y.;Zheng, Y. X.;Cao, Q. Q.;Deng, Y.;Wang, D. H.;Du, Y. W.;
7:4:6:38 Microelectromechanical magnetic field sensor based on Delta E effect
DOI:10.1063/1.4891540 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Jahns, R.;Zabel, S.;Marauska, S.;Gojdka, B.;Wagner, B.;Knoechel, R.;Adelung, R.;Faupel, F.;
7:4:6:39 Design and testing of piezoelectric energy harvester for powering wireless sensors of electric line monitoring system
DOI:10.1063/1.3677771 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:7 AU: Qiu, Jing;Wen, Yumei;Li, Ping;Yang, Jin;
7:4:6:40 Synthesis of ferroelectric PZT fibers using sol-gel technique
DOI:10.1016/j.matlet.2010.11.070 JN:MATERIALS LETTERS PY:2011 TC:5 AU: Cho, Kyung-Hoon;Priya, Shashank;
7:4:6:41 Highly versatile concept for precise tailoring of nanogranular composites with a gas aggregation cluster source
DOI:10.1063/1.3696640 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Gojdka, B.;Zaporojtchenko, V.;Hrkac, V.;Xiong, J.;Kienle, L.;Strunskus, T.;Faupel, F.;
7:4:6:42 Revisiting magnetic stripe domains - anisotropy gradient and stripe asymmetry
DOI:10.1063/1.4792517 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: McCord, Jeffrey;Erkartal, Burak;von Hofe, Thomas;Kienle, Lorenz;Quandt, Eckhard;Roshchupkina, Olga;Grenzer, Joerg;
7:4:6:43 A concept for a magnetic field detector underpinned by the nonlinear dynamics of coupled multiferroic devices
DOI:10.1063/1.4846315 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Beninato, A.;Emery, T.;Baglio, S.;Ando, B.;Bulsara, A. R.;Jenkins, C.;Palkar, V.;
7:4:7:1 Electric field controlled manipulation of the magnetization in Ni/BaTiO3 hybrid structures
DOI:10.1063/1.3377923 JN:APPLIED PHYSICS LETTERS PY:2010 TC:62 AU: Gepraegs, S.;Brandlmaier, A.;Opel, M.;Gross, R.;Goennenwein, S. T. B.;
7:4:7:2 Converse magnetoelectric effects in Fe3O4/BaTiO3 multiferroic hybrids
DOI:10.1103/PhysRevB.88.054412 JN:PHYSICAL REVIEW B PY:2013 TC:7 AU: Gepraegs, Stephan;Mannix, Dan;Opel, Matthias;Goennenwein, Sebastian T. B.;Gross, Rudolf;
7:4:7:3 Pattern Transfer and Electric-Field-Induced Magnetic Domain Formation in Multiferroic Heterostructures
DOI:10.1002/adma.201100426 JN:ADVANCED MATERIALS PY:2011 TC:51 AU: Lahtinen, Tuomas H. E.;Tuomi, Jussi O.;van Dijken, Sebastiaan;
7:4:7:4 Electric field control of magnetic anisotropies and magnetic coercivity in Fe/BaTiO3(001) heterostructures
DOI:10.1063/1.3554432 JN:APPLIED PHYSICS LETTERS PY:2011 TC:25 AU: Brivio, S.;Petti, D.;Bertacco, R.;Cezar, J. C.;
7:4:7:5 Strain induced changes in magnetization of amorphous Co95Zr5 based multiferroic heterostructures
DOI:10.1063/1.4792050 JN:AIP ADVANCES PY:2013 TC:9 AU: Moubah, Reda;Magnus, Fridrik;Zamani, Atieh;Kapaklis, Vassilios;Nordblad, Per;Hjorvarsson, Bjorgvin;
7:4:7:6 Piezoelectric tuning of exchange bias in a BaTiO3/Co/CoO heterostructure
DOI:10.1103/PhysRevB.82.134419 JN:PHYSICAL REVIEW B PY:2010 TC:15 AU: Polisetty, S.;Echtenkamp, W.;Jones, K.;He, X.;Sahoo, S.;Binek, Ch;
7:4:7:7 Spatially resolved strain-imprinted magnetic states in an artificial multiferroic
DOI:10.1103/PhysRevB.86.014408 JN:PHYSICAL REVIEW B PY:2012 TC:18 AU: Chopdekar, R. V.;Malik, V. K.;Fraile Rodriguez, A.;Le Guyader, L.;Takamura, Y.;Scholl, A.;Stender, D.;Schneider, C. W.;Bernhard, C.;Nolting, F.;Heyderman, L. J.;
7:4:7:8 Strong magnetoelectric coupling in multiferroic Co/BaTiO3 thin films
DOI:10.1103/PhysRevB.88.121409 JN:PHYSICAL REVIEW B PY:2013 TC:5 AU: Jedrecy, N.;von Bardeleben, H. J.;Badjeck, V.;Demaille, D.;Stanescu, D.;Magnan, H.;Barbier, A.;
7:4:7:9 Giant magnetoelastic effects in BaTiO3-based extrinsic multiferroic hybrids
DOI:10.1103/PhysRevB.86.134432 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Gepraegs, Stephan;Opel, Matthias;Goennenwein, Sebastian T. B.;Gross, Rudolf;
7:4:7:10 On the elastically coupled magnetic and ferroelectric domains: A phase-field model
DOI:10.1063/1.4875719 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Yang, T. N.;Hu, Jia-Mian;Nan, C. W.;Chen, L. Q.;
7:4:7:11 Manipulation of magnetic coercivity of Fe film in Fe/BaTiO3 heterostructure by electric field
DOI:10.1063/1.3628464 JN:APPLIED PHYSICS LETTERS PY:2011 TC:18 AU: Venkataiah, G.;Shirahata, Y.;Itoh, M.;Taniyama, T.;
7:4:7:12 Switching of the symmetry of magnetic anisotropy in Fe/BaTiO3 heterostructures
DOI:10.1063/1.3609237 JN:APPLIED PHYSICS LETTERS PY:2011 TC:17 AU: Shirahata, Y.;Nozaki, T.;Venkataiah, G.;Taniguchi, H.;Itoh, M.;Taniyama, T.;
7:4:7:13 Hybrid Multiferroic Nanostructure with Magnetic-Dielectric Coupling
DOI:10.1021/nl300849u JN:NANO LETTERS PY:2012 TC:21 AU: Narayanan, T. N.;Mandal, B. P.;Tyagi, A. K.;Kumarasiri, A.;Zhan, Xaiobo;Hahm, Myung Gwan;Anantharaman, M. R.;Lawes, G.;Ajayan, P. M.;
7:4:7:14 Strain-induced reversible and irreversible magnetization switching in Fe/BaTiO3 heterostructures
DOI:10.1063/1.3684695 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:11 AU: Venkataiah, G.;Shirahata, Y.;Suzuki, I.;Itoh, M.;Taniyama, T.;
7:4:7:15 Alternating domains with uniaxial and biaxial magnetic anisotropy in epitaxial Fe films on BaTiO3
DOI:10.1063/1.4773482 JN:APPLIED PHYSICS LETTERS PY:2012 TC:10 AU: Lahtinen, Tuomas H. E.;Shirahata, Yasuhiro;Yao, Lide;Franke, Kevin J. A.;Venkataiah, Gorige;Taniyama, Tomoyasu;van Dijken, Sebastiaan;
7:4:7:16 Strain-mediated elastic coupling in magnetoelectric nickel/barium-titanate heterostructures
DOI:10.1103/PhysRevB.87.054410 JN:PHYSICAL REVIEW B PY:2013 TC:8 AU: Streubel, Robert;Koehler, Denny;Schaefer, Rudolf;Eng, Lukas M.;
7:4:7:17 Field tuning of ferromagnetic domain walls on elastically coupled ferroelectric domain boundaries
DOI:10.1103/PhysRevB.85.094423 JN:PHYSICAL REVIEW B PY:2012 TC:10 AU: Franke, Kevin J. A.;Lahtinen, Tuomas H. E.;van Dijken, Sebastiaan;
7:4:7:18 Strain-driven spin reorientation in magnetite/barium titanate heterostructures
DOI:10.1063/1.3330890 JN:APPLIED PHYSICS LETTERS PY:2010 TC:15 AU: Sterbinsky, G. E.;Wessels, B. W.;Kim, J. -W.;Karapetrova, E.;Ryan, P. J.;Keavney, D. J.;
7:4:7:19 Temperature control of local magnetic anisotropy in multiferroic CoFe/BaTiO3
DOI:10.1063/1.4795529 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Lahtinen, Tuomas H. E.;van Dijken, Sebastiaan;
7:4:7:20 Spin and phonon anomalies in epitaxial self-assembled CoFe2O4-BaTiO3 multiferroic nanostructures
DOI:10.1063/1.4885497 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Tsai, C. Y.;Cheng, H. M.;Chen, H. R.;Huang, K. F.;Tsai, L. N.;Chu, Y. H.;Lai, C. H.;Hsieh, W. F.;
7:4:7:21 Modulation of the properties of thin ferromagnetic films with an externally applied electric field in ferromagnetic/piezoelectric/ferromagnetic hybrids
DOI:10.1063/1.4824373 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:7 AU: Stamopoulos, D.;Zeibekis, M.;Zhang, S. J.;
7:4:7:22 Strain enhanced magnetic anisotropy in SmCo/BaTiO3 multiferroic heterostructures
DOI:10.1063/1.4863819 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:3 AU: Moubah, R.;Magnus, F.;Hjorvarsson, B.;Andersson, G.;
7:4:7:23 Electric field driven magnetic domain wall motion in ferromagnetic-ferroelectric heterostructures
DOI:10.1063/1.4860963 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Van de Wiele, Ben;Laurson, Lasse;Franke, Kevin J. A.;van Dijken, Sebastiaan;
7:4:7:24 Inorganic-organic multiferroic hybrid films of Fe3O4 and PVDF with significant magneto-dielectric coupling
DOI:10.1039/c3tc30216d JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2013 TC:12 AU: Jayakumar, O. D.;Mandal, B. P.;Majeed, J.;Lawes, G.;Naik, R.;Tyagi, A. K.;
7:4:7:25 Size Dependence of Domain Pattern Transfer in Multiferroic Heterostructures
DOI:10.1103/PhysRevLett.112.017201 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:1 AU: Franke, Kevin J. A.;Gonzalez, Diego Lopez;Hamalainen, Sampo J.;van Dijken, Sebastiaan;
7:4:7:26 Electric-voltage control of magnetism in Fe/BaTiO3 heterostructured multiferroics
DOI:10.1063/1.4793511 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Venkataiah, G.;Wada, E.;Taniguchi, H.;Itoh, M.;Taniyama, T.;
7:4:7:27 Electric field driven variation in magnetoresistance of Co/Cu/Fe/BaTiO3 heterostructure
DOI:10.1063/1.4795819 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Kojima, Hidekazu;Naito, Tomoyuki;Muraoka, Hironobu;Wada, Eiji;Suzuki, Ippei;Shirahata, Yasuhiro;Itoh, Mitsuru;Taniyama, Tomoyasu;
7:4:7:28 Surface composition of BaTiO3/SrTiO3(001) films grown by atomic oxygen plasma assisted molecular beam epitaxy
DOI:10.1063/1.4768469 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:7 AU: Barbier, A.;Mocuta, C.;Stanescu, D.;Jegou, P.;Jedrecy, N.;Magnan, H.;
7:4:7:29 Magnetoelastic coupling in epitaxial cobalt ferrite/barium titanate heterostructures
DOI:10.1016/j.jmmm.2013.02.046 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:4 AU: Graefe, Joachim;Welke, Martin;Bern, Francis;Ziese, Michael;Denecke, Reinhard;
7:4:7:30 Temperature Dependence of Magnetization in Nickel Thin Film Sputtered onto Ferroelastic Gadolinium Molybdate Substrate
DOI:10.1080/10584587.2014.893704 JN:FERROELECTRICS PY:2014 TC:0 AU: Graczyk, P.;Maciejewicz, O.;Breczewski, T.;Mroz, B.;
7:4:7:31 Pattern Transfer and Electric-Field-Induced Magnetic Domain Formation in Multiferroic Heterostructures (vol 23, pg 3187, 2011)
DOI:10.1002/adma.201190178 JN:ADVANCED MATERIALS PY:2011 TC:1 AU: Lahtinen, Tuomas H. E.;Tuomi, Jussi. O.;van Dijken, Sebastiaan;
7:4:7:32 Nanometer-scale epitaxial strain release in perovskite heterostructures using "SrAlOx" sliding buffer layers
DOI:10.1063/1.3583459 JN:APPLIED PHYSICS LETTERS PY:2011 TC:1 AU: Sato, H. K.;Mundy, J. A.;Higuchi, T.;Hikita, Y.;Bell, C.;Muller, D. A.;Hwang, H. Y.;
7:4:7:33 Preparation and Properties of Hydrophobic Poly( vinylidene fluoride)SiO2 Mixed Matrix Membranes for Dissolved Oxygen Removal from Water
DOI:10.1002/app.40430 JN:JOURNAL OF APPLIED POLYMER SCIENCE PY:2014 TC:1 AU: Li, Ting;Yu, Ping;Luo, Yunbai;
7:4:7:34 Evolution from (110) Fe to (111) Fe3O4 thin films grown by magnetron sputtering using Fe2O3 target
DOI:10.1016/j.jcrysgro.2011.12.041 JN:JOURNAL OF CRYSTAL GROWTH PY:2012 TC:2 AU: Wu, X. J.;Zhang, Z. Z.;Liang, Q. S.;Meng, J.;
7:4:8:1 Applying uniform reversible strain to epitaxial oxide films
DOI:10.1063/1.3374323 JN:APPLIED PHYSICS LETTERS PY:2010 TC:41 AU: Biegalski, M. D.;Doerr, K.;Kim, D. H.;Christen, H. M.;
7:4:8:2 Electrical characterization of PMN-28%PT(001) crystals used as thin-film substrates
DOI:10.1063/1.3503209 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:30 AU: Herklotz, Andreas;Plumhof, Johannes D.;Rastelli, Armando;Schmidt, Oliver G.;Schultz, Ludwig;Doerr, Kathrin;
7:4:8:3 Piezo-strain induced non-volatile resistance states in (011)-La2/3Sr1/3MnO3/0.7Pb(Mg2/3Nb1/3)O-3-0.3PbTiO(3) epitaxial heterostructures
DOI:10.1063/1.4788723 JN:APPLIED PHYSICS LETTERS PY:2013 TC:9 AU: Yang, Yuanjun;Luo, Z. L.;Yang, Meng Meng;Huang, Haoliang;Wang, Haibo;Bao, J.;Pan, Guoqiang;Gao, C.;Hao, Qiang;Wang, Shutong;Jokubaitis, Michael;Zhang, Wenzhe;Xiao, Gang;Yao, Yiping;Liu, Yukuai;Li, X. G.;
7:4:8:4 Electric-field-controlled interface strain coupling and non-volatile resistance switching of La1-xBaxMnO3 thin films epitaxially grown on relaxor-based ferroelectric single crystals
DOI:10.1063/1.4896172 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Zheng, Ming;Zhu, Qiu-Xiang;Li, Xue-Yan;Yang, Ming-Min;Wang, Yu;Li, Xiao-Min;Shi, Xun;Luo, Hao-Su;Zheng, Ren-Kui;
7:4:8:5 Effects of ferroelectric-poling-induced strain on magnetic and transport properties of La0.67Ba0.33MnO3 thin films grown on (111)-oriented ferroelectric substrates
DOI:10.1063/1.4822269 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Zhu, Q. X.;Zheng, M.;Yang, M. M.;Li, X. M.;Wang, Y.;Shi, X.;Chan, H. L. W.;Luo, H. S.;Li, X. G.;Zheng, R. K.;
7:4:8:6 Electric-field control of phase separation and memory effect in Pr0.6Ca0.4MnO3/Pb(Mg1/3Nb2/3)(0.7)Ti0.3O3 heterostructures
DOI:10.1063/1.3584025 JN:APPLIED PHYSICS LETTERS PY:2011 TC:18 AU: Chen, Q. P.;Yang, J. J.;Zhao, Y. G.;Zhang, S.;Wang, J. W.;Zhu, M. H.;Yu, Y.;Zhang, X. Z.;Wang, Zhu;Yang, Bin;Xie, D.;Ren, T. L.;
7:4:8:7 Coaction and competition between the ferroelectric field effect and the strain effect in Pr0.5Ca0.5MnO3 film/0.67Pb(Mg1/3Nb2/3)O-3-0.33PbTiO(3) crystal heterostructures
DOI:10.1063/1.4761948 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Zhu, Q. X.;Wang, W.;Yang, S. W.;Li, X. M.;Wang, Y.;Habermeier, H. -U.;Luo, H. S.;Chan, H. L. W.;Li, X. G.;Zheng, R. K.;
7:4:8:8 Electric-Field-Modulated Nonvolatile Resistance Switching in VO2/PMN-PT(111) Heterostructures
DOI:10.1021/am405767q JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:6 AU: Zhi, Bowen;Gao, Guanyin;Xu, Haoran;Chen, Feng;Tan, Xuelian;Chen, Pingfan;Wang, Lingfei;Wu, Wenbin;
7:4:8:9 The strain effect and the ferroelectric field effect in LaMnO3+delta film/Pb(Mg1/3Nb2/3)O-3-PbTiO3 single-crystal heterostructures
DOI:10.1016/j.jallcom.2013.07.061 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:4 AU: Zhu, Q. X.;Yang, M. M.;Zheng, M.;Wang, W.;Wang, Y.;Li, X. M.;Luo, H. S.;Li, X. G.;Chan, H. L. W.;Zheng, R. K.;
7:4:8:10 Strain-mediated electric-field control of photoinduced demagnetization in La0.8Ca0.2MnO3 thin films
DOI:10.1063/1.3556613 JN:APPLIED PHYSICS LETTERS PY:2011 TC:17 AU: Guo, E. J.;Gao, J.;Lu, H. B.;
7:4:8:11 Tuning the switching time of BiFeO3 capacitors by electrodes' conductivity
DOI:10.1063/1.4813419 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Guo, E. J.;Herklotz, A.;Roth, R.;Christl, M.;Das, S.;Widdra, W.;Doerr, K.;
7:4:8:12 Electric-field-control of resistance and magnetization switching in multiferroic Zn0.4Fe2.6O4/0.7Pb(Mg2/3Nb1/3)O-3-0.3PbTiO(3) epitaxial heterostructures
DOI:10.1063/1.3579994 JN:APPLIED PHYSICS LETTERS PY:2011 TC:13 AU: Yang, Yuanjun;Luo, Z. L.;Huang, Haoliang;Gao, Yachun;Bao, J.;Li, X. G.;Zhang, Sen;Zhao, Y. G.;Chen, Xiangcun;Pan, Guoqiang;Gao, C.;
7:4:8:13 Effects of substrate-induced strain on transport properties of LaMnO3+delta and CaMnO3 thin films using ferroelectric poling and converse piezoelectric effect
DOI:10.1103/PhysRevB.81.104427 JN:PHYSICAL REVIEW B PY:2010 TC:17 AU: Zheng, R. K.;Habermeier, H. -U.;Chan, H. L. W.;Choy, C. L.;Luo, H. S.;
7:4:8:14 Magnetoelastic response of La0.7Sr0.3MnO3/SrTiO3 superlattices to reversible strain
DOI:10.1103/PhysRevB.84.054463 JN:PHYSICAL REVIEW B PY:2011 TC:10 AU: Dekker, M. C.;Herklotz, A.;Schultz, L.;Reibold, M.;Vogel, K.;Biegalski, M. D.;Christen, H. M.;Doerr, K.;
7:4:8:15 Strain controlled ferroelectric switching time of BiFeO3 capacitors
DOI:10.1063/1.4772006 JN:APPLIED PHYSICS LETTERS PY:2012 TC:10 AU: Guo, E. J.;Doerr, K.;Herklotz, A.;
7:4:8:16 Strong tensile strain induced charge/orbital ordering in (001)-La7/8Sr1/8MnO3 thin film on 0.7Pb(Mg1/3Nb2/3)O-3-0.3PbTiO(3)
DOI:10.1063/1.3298360 JN:APPLIED PHYSICS LETTERS PY:2010 TC:20 AU: Wang, J.;Hu, F. X.;Li, R. W.;Sun, J. R.;Shen, B. G.;
7:4:8:17 Interface strain coupling and its impact on the transport and magnetic properties of LaMnO3 thin films grown on ferroelectrically active substrates
DOI:10.1016/j.jallcom.2011.12.099 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:4 AU: Zheng, R. K.;Wang, Y.;Habermeier, H. -U.;Chan, H. L. W.;Li, X. M.;Luo, H. S.;
7:4:8:18 Stress and defect induced enhanced low field magnetoresistance and dielectric constant in La0.7Sr0.3MnO3 thin films
DOI:10.1016/j.jallcom.2011.09.093 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:15 AU: Majumdar, Sayani;Huhtinen, H.;Majumdar, H. S.;Paturi, P.;
7:4:8:19 Coaction and distinguishment of converse piezoelectric and field effects in La0.7Ca0.3MnO3/SrTiO3/0.68Pb(Mg1/3Nb2/3)O-3-0.32PbTiO(3) heterostructures
DOI:10.1063/1.4817018 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Jiang, Tao;Yang, Shengwei;Liu, Yukuai;Yin, Yuewei;Dong, Sining;Zhao, Wenbo;Li, Xiaoguang;
7:4:8:20 Modulation of persistent photoconductivity by electric-field-controlled strain in thin films of La0.39Pr0.24Ca0.37MnO3
DOI:10.1063/1.4793534 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Wang, J. F.;Jiang, Y. C.;Wu, Z. P.;Gao, J.;
7:4:8:21 Effects of ferroelectric-poling-induced strain on the electronic transport and magnetic properties of (001)- and (111)-oriented La0.5Ba0.5MnO3 thin films
DOI:10.1016/j.matchemphys.2014.01.021 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2014 TC:1 AU: Li, X. Y.;Zheng, M.;Zhu, Q. X.;Yang, M. M.;Li, X. M.;Shi, X.;Yuan, G. L.;Wang, Y.;Chan, H. L. W.;Li, X. G.;Luo, H. S.;Zheng, R. K.;
7:4:8:22 Substrate-dependent post-annealing effects on the strain state and electrical transport of epitaxial La5/8-yPryCa3/8MnO3 films
DOI:10.1063/1.4881881 JN:AIP ADVANCES PY:2014 TC:0 AU: Hu, Sixia;Huang, Haoliang;Yang, Yuanjun;Luo, Zhenlin;Yang, Mengmeng;Wang, Haibo;Dong, Yongqi;Hong, Bing;He, Hao;Bao, Jun;Gao, Chen;
7:4:8:23 Ferroelectric-domain-controlled magnetic anisotropy in Co40Fe40B20/YMnO3 multiferroic heterostructure
DOI:10.1063/1.4795518 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Wang, J. W.;Zhao, Y. G.;Fan, C.;Sun, X. F.;Rizwan, S.;Zhang, S.;Li, P. S.;Lin, Z.;Yang, Y. J.;Yan, W. S.;Luo, Z. L.;Zou, L. K.;Liu, H. L.;Chen, Q. P.;Zhang, X.;Zhu, M. H.;Zhang, H. Y.;Cai, J. W.;Han, X. F.;Cheng, Z. H.;Gao, C.;Xie, D.;Ren, T. L.;
7:4:8:24 Effects of residual and tunable strain in thin films of La0.7Ba0.3MnO3
DOI:10.1063/1.4796050 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Wang, J. F.;Jiang, Y. C.;Wu, Z. P.;Gao, J.;
7:4:8:25 Epitaxial growth and interface strain coupling effects in manganite film/piezoelectric-crystal multiferroic heterostructures
DOI:10.1016/j.matchemphys.2011.12.019 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:6 AU: Zheng, R. K.;Wang, Y.;Liu, Y. K.;Gao, G. Y.;Fei, L. F.;Jiang, Y.;Chan, H. L. W.;Li, X. M.;Luo, H. S.;Li, X. G.;
7:4:8:26 Phase competition induced nonlinear elastoresistance effect in thin films of Pr0.7Sr0.3MnO3
DOI:10.1063/1.3697687 JN:APPLIED PHYSICS LETTERS PY:2012 TC:2 AU: Wang, J. F.;Gao, J.;
7:4:8:27 Influence of the dynamic lattice strain on the transport behavior of oxide heterojunctions
DOI:10.1063/1.4788731 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Wang, J.;Hu, F. X.;Chen, L.;Zhao, Y. Y.;Lu, H. X.;Sun, J. R.;Shen, B. G.;
7:4:8:28 Effects of ferroelectric-poling-induced strain on the transport and magnetic properties of La7/8Ba1/8MnO3 thin films
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7:4:8:29 The investigation of reversible strain and polarization effect in (011)-La0.9Ba0.1MnO3 film using field effect configuration
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7:4:8:30 Dynamic variation of biaxial strain in optimally doped and underdoped YBa2Cu3O7-delta thin films
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7:4:8:31 Static and reversible elastic strain effects on magnetic order of La0.7Ca0.3MnO3/SrTiO3 superlattices
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7:4:8:32 Enhancement of switching speed of BiFeO3 capacitors by magnetic fields
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7:4:8:33 Control of the strain and magnetoresistance of LaMnO3+delta thin films using the magnetostriction of Terfenol-D alloy
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7:4:8:34 In situ control of electronic phase separation in La-1/8 Pr4/8Ca3/8MnO3/PNM-PT thin films using ferroelectric-poling-induced strain
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7:4:8:35 Stress tuning of strong and weak couplings between quantum dots and cavity modes in microdisk microcavities
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7:4:8:36 Static and dynamic strain effects in La0.7Ce0.3MnO3 thin films
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7:4:8:37 Effects of electric-field-induced piezoelectric strain on the electronic transport properties of La0.9Ce0.1MnO3 thin films
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7:4:8:38 Influence of lattice strain on charge/orbital ordering and phase separation in Pr-0.7(Ca0.6Sr0.4)(0.3)MnO3 thin films
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7:4:8:39 Magnetic, magnetoresistance, and magnetodielectric properties of oxygen deficient charge ordered manganite, Pr0.5Ca0.5MnO3-delta
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7:4:8:40 Effect of strain and grain boundaries on dielectric properties in La0.7Sr0.3MnO3 thin films
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7:4:8:41 Modulation of strain, resistance, and capacitance of tantalum oxide film by converse piezoelectric effect
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7:4:8:42 Influence of ferroelectric poling induced strain on magnetic and electric properties in tetravalent cation-doped La0.9Hf0.1MnO3 films
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7:4:8:43 Strain effect caused by substrates on phase separation and transport properties in Pr-0.7(Ca0.8Sr0.2)(0.3)MnO3 thin films
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7:4:8:44 Collective Volume Plasmons in Manganites with Nanoscale Phase Separation: Simulation of the Measured Infrared Spectra of La0.7Ca0.3MnO3
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7:4:9:1 In Situ Observation of Reversible Nanomagnetic Switching Induced by Electric Fields
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7:4:9:2 Multiferroic magnetoelectric composite nanostructures
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7:4:9:3 Hybrid spintronics and straintronics: A magnetic technology for ultra low energy computing and signal processing
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7:4:9:4 Switching dynamics of a magnetostrictive single-domain nanomagnet subjected to stress
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7:4:9:5 Combined nanomechanical and nanomagnetic analysis of magnetoelectric memories
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7:4:9:6 Energy dissipation and switching delay in stress-induced switching of multiferroic nanomagnets in the presence of thermal fluctuations
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7:4:9:7 Magnetoelectric Control of Superparamagnetism
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7:4:9:8 Bennett clocking of nanomagnetic logic using multiferroic single-domain nanomagnets
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7:4:9:9 Magnetization dynamics, Bennett clocking and associated energy dissipation in multiferroic logic
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7:4:9:10 Room temperature magnetoelectric memory cell using stress-mediated magnetoelastic switching in nanostructured multilayers
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7:4:9:11 Acoustically assisted spin-transfer-torque switching of nanomagnets: An energy-efficient hybrid writing scheme for non-volatile memory
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7:4:9:12 Electrical control of a single magnetoelastic domain structure on a clamped piezoelectric thin film-analysis
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7:4:9:13 Ultra-low-energy non-volatile straintronic computing using single multiferroic composites
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7:4:9:14 Voltage induced magnetostrictive switching of nanomagnets: Strain assisted strain transfer torque random access memory
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7:4:9:15 Complete magnetization reversal in a magnetostrictive nanomagnet with voltage-generated stress: A reliable energy-efficient non-volatile magneto-elastic memory
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7:4:9:16 Sub-coercive and multi-level ferroelastic remnant states with resistive readout
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7:4:9:17 Critical analysis and remedy of switching failures in straintronic logic using Bennett clocking in the presence of thermal fluctuations
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7:4:9:18 Benchmarking spintronic logic devices based on magnetoelectric oxides
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7:4:9:19 Resistive switching via the converse magnetoelectric effect in ferromagnetic multilayers on ferroelectric substrates
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7:4:9:20 Modeling of magnetoelastic nanostructures with a fully coupled mechanical-micromagnetic model
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7:4:9:21 Energy-efficient magnetoelastic non-volatile memory
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7:4:9:22 The incorporation of the Cauchy stress matrix tensor in micromagnetic simulations
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7:4:9:23 Switching Magnetization by 180 degrees with an Electric Field
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7:4:9:24 Strain-mediated electric-field control of multiferroic domain structures in ferromagnetic films
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7:4:9:25 Strain-induced magnetization change in patterned ferromagnetic nickel nanostructures
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7:4:9:26 Stress-mediated magnetoelectric memory effect with uni-axial TbCo2/FeCo multilayer on 011-cut PMN-PT ferroelectric relaxor
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7:4:9:27 Opposites attract: nanomagnetism in theory and practice
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7:4:9:28 Magnetization dynamics, throughput and energy dissipation in a universal multiferroic nanomagnetic logic gate with fan-in and fan-out
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7:4:9:29 Light controlled magnetoresistance and magnetic field controlled photoresistance in CoFe film deposited on BiFeO3
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7:4:9:30 Magnetoelectric memory using orthogonal magnetization states and magnetoelastic switching
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7:4:9:31 Variation and sign change of magnetostrictive strain as a function of Ni concentration in Ni-substituted ZnFe2O4 sintered nanoparticles
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7:4:9:32 Comment on "Ultra-low-energy non-volatile straintronic computing using single multiferroic composites" [Appl. Phys. Lett. 103, 173110 (2013)]
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7:4:9:33 Multiferroic composites for magnetic data storage beyond the super-paramagnetic limit
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7:4:9:34 Straintronics-based magnetic tunneling junction: Dynamic and static behavior analysis and material investigation
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7:4:9:35 Investigation of temperature-dependent polarization, dielectric, and magnetization behavior of multiferroic layered nanostructure
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7:4:10:1 Multiplied magnetoelectric effect in multi-faceted magnetoelectric composite
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7:4:10:2 Closed magnetic circuit FeGa/BaTiO3/FeGa sandwich structure for high magnetoelectric effect
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7:4:10:3 Large magnetoelectric effect and resonance frequency controllable characteristics in Ni-lead zirconium titanate-Ni cylindrical layered composites
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7:4:10:4 Magnetoelectric performance in Ni/Pb(Zr,Ti)O-3/FeCo trilayered cylindrical composites
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7:4:10:5 Enhanced magnetoelectric properties of Terfenol-D disk/Pb(Zr,Ti)O-3 ring multiferroic heterostructures with Pb(Zr,Ti)O-3 piezoelectric ring poled radially
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7:4:10:6 Additional magnetoelectric effect in electrode-arrayed magnetoelectric composite
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7:4:10:7 Length dependence of the resonant magnetoelectric effect in Ni/Pb(Zr,Ti)O-3/Ni long cylindrical composites
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7:4:10:8 Resonance magnetoelectric effects in disk-ring (piezoelectric - magnetostrictive) composite structure
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7:4:10:9 Resonance magnetoelectric effect in Ni/Pb(Zr,Ti)O-3/Terfenol-D trilayered composites with different mechanical boundary conditions
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7:4:10:10 Controlled synthesis of PbWO4 dendrites by a simple sonochemical method
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7:4:10:11 Enhanced magnetoelectric effect in magnetostrictive/piezoelectric laminates through adopting magnetic warm compaction Terfenol-D
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7:4:10:12 Magnetoelectric effect in FeCo/PMN-PT/FeCo trilayers prepared by electroless deposition of FeCo on PMN-PT crystals with various orientations
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7:4:10:13 Giant resonant magnetoelectric effect in bi-layered Metglas/Pb(Zr,Ti)O-3 composites
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7:4:10:14 Tuning electromechanical resonances in strip-ring magnetoelectric composites structure with dc magnetic field
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7:4:10:15 Single dc magnetic field tunable electromechanical resonance in Terfenol-D/PZT/Terfenol-D trilayer composites
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7:4:10:16 Influence of magnetic fields on the mechanical loss of Terfenol-D/PbZr0.52Ti0.48O3/Terfenol-D laminated composites
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7:4:10:17 Peak divergence in the curve of magnetoelectric coefficient versus dc bias magnetic field at resonance region for bi-layer magnetostrictive/piezoelectric composites
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7:4:10:18 Resonant modes and magnetoelectric performance of PZT/Ni cylindrical layered composites
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7:4:10:19 Enhanced magnetoelectric effect in ferromagnetic-elastic-piezoelectric composites
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7:4:10:20 Large magnetoelectric effect in negative magnetostrictive/piezoelectric/positive magnetostrictive laminate composites with two resonance frequencies
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7:4:10:21 Terfenol-D/Pb(Zr,Ti)O-3 Disk-Ring Multiferroic Heterostructures Coupled Through Normal Stresses
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7:4:10:22 Giant resonance frequency tunable magnetoelectric effect in a device of Pb(Zr0.52Ti0.48)O-3 drum transducer, NdFeB magnet, and Fe-core solenoid
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7:4:10:23 Large magnetoelectric effect in mechanically mediated structure of TbFe2, Pb(Zr, Ti)O-3, and nonmagnetic flakes
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7:4:10:24 Enhancing magnetic field sensitivity and giant converse magnetoelectric effect in laminate composite of Terfenol-D and multilayer piezoelectric vibrator
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7:4:10:25 Resonance magnetoelectric effect in radially polarized long cylindrical composite structures
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7:4:10:26 Effect of Ni and FeCoV films on magnetoelectricity of piezoelectric Pb(Mg1/3Nb2/3)O-3-PbTiO3 sandwich structures
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7:4:10:27 Ring-type electric current sensor based on ring-shaped magnetoelectric laminate of epoxy-bonded Tb0.3Dy0.7Fe1.92 short-fiber/NdFeB magnet magnetostrictive composite and Pb(Zr, Ti)O-3 piezoelectric ceramic
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7:4:10:28 Magnetoelectric performance of cylindrical Ni-lead zirconate titanate-Ni laminated composite synthesized by electroless deposition
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7:4:10:29 Wide magnetic field range of Ni-P/PZT/Ni-P cylindrical layered magnetoelectric composites
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7:4:10:30 Resonance magnetoelectric interactions in an asymmetric ferromagnetic-ferroelectric layered structure
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7:4:10:31 Bath temperature effect on magnetoelectric performance of Ni-lead zirconate titanate-Ni laminated composites synthesized by electroless deposition
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7:4:10:32 Frequency response of magnetoelectric effect in piezoelectric-magnetostrictive disk-ring composite structures
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7:4:10:33 Magnetoelectric effect in a bi-rectangular structure composed of negative/positive magnetostrictive and piezoelectric flakes
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7:4:10:34 Improved magnetoelectric performance of the Ni-P/Ni/Pb(Zr,TiO)(3) cylindrical layered composites
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7:4:10:35 Giant magnetoelectric effect in mechanically mediated composite structure of TbFe2 alloy and Pb(Zr,Ti)O-3 ceramics
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7:4:10:36 Phosphorus content effect on the magnetoelectric properties of the Ni-P(Ni)/PZT/Ni-P(Ni) cylindrical layered composites
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7:4:10:37 Magnetoelectric properties of Tb0.27-xDy0.73-y Y(x+y)Fe2/PVDF composites
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7:4:10:38 Magnetoelectric coupling in multiferroic heterostructure of rf-sputtered Ni-Mn-Ga thin film on PMN-PT
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7:4:10:39 Hydrothermal temperature effect on magnetoelectric coupling of Ni/Pb(Zr0.52Ti0.48)O-3 bilayers
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7:4:10:40 Giant magnetoelectric effect in magnet-cymbal-solenoid current-to-voltage conversion device
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7:4:11:1 An Extremely Low Equivalent Magnetic Noise Magnetoelectric Sensor
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7:4:11:2 A uniform model for direct and converse magnetoelectric effect in laminated composite
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7:4:11:3 Influence of interfacial bonding condition on magnetoelectric properties in piezofiber/Metglas heterostructures
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7:4:11:4 Nonlinear magnetoelectric response of a Metglas/piezofiber laminate to a high-frequency bipolar AC magnetic field
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7:4:11:5 Giant magnetoelectric effect in self-biased laminates under zero magnetic field
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7:4:11:6 Shear-mode magnetostrictive/piezoelectric composite with an enhanced magnetoelectric coefficient
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7:4:11:7 Enhanced magnetoelectric effect in self-stressed multi-push-pull mode Metglas/Pb(Zr,Ti)O-3/Metglas laminates
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7:4:11:8 Enhanced Sensitivity and Reduced Noise Floor in Magnetoelectric Laminate Sensors by an Improved Lamination Process
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7:4:11:9 Improvement of magnetoelectric properties in Metglas/Pb(Mg1/3Nb2/3)O-3-PbTiO3 laminates by poling optimization
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7:4:11:10 Giant converse magnetoelectric effect in multi-push-pull mode Metglas/Pb(Zr,Ti)O-3/Metglas laminates
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7:4:11:11 Stress reconfigurable tunable magnetoelectric resonators as magnetic sensors
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7:4:11:12 Enhanced resonant magnetoelectric coupling in frequency-tunable composite multiferroic bimorph structures
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7:4:11:13 Giant phase shift effect in Tb0.3Dy0.7Fe2/Pb(Zr,Ti)O-3 laminated composite
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7:4:11:14 Ultralow equivalent magnetic noise in a magnetoelectric Metglas/Mn-doped Pb(Mg1/3Nb2/3)O-3-PbTiO3 heterostructure
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7:4:11:15 Thermal stability of magnetoelectric sensors
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7:4:11:16 Electrocaloric effect on graphenes
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7:4:11:17 Frequency conversion in magnetoelectric composites for quasi-static magnetic field detection
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7:4:11:18 Magnetoelectric effect of the multi-push-pull mode in 0.35Pb(In1/2Nb1/2)O-3-0.35Pb(Mg1/3Nb2/3)O-3-0.30PbTiO(3)/Metglas magnetoelectric composite
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7:4:11:19 A pencil-like magnetoelectric sensor exhibiting ultrahigh coupling properties
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7:4:11:20 Dependence of magnetic field sensitivity of a magnetoelectric laminate sensor pair on separation distance: Effect of mutual inductance
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7:4:11:21 The theoretical ultimate magnetoelectric coefficients of magnetoelectric composites by optimization design
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7:4:11:22 An improved magnetic field detection unit based on length-magnetized Terfenol-D and width-polarized ternary 0.35Pb(In1/2Nb1/2)O-3-0.35Pb (Mg1/3Nb2/3)O-3-0.30PbTiO(3)
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7:4:11:23 Piezoelectric single crystal and magnetostrictive Metglas composites: Linear and nonlinear magnetoelectric coupling
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7:4:11:24 Modeling of resonant magneto-electric effect in a magnetostrictive and piezoelectric laminate composite structure coupled by a bonding material
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7:4:11:25 Structural dependence of nonlinear magnetoelectric effect for magnetic field detection by frequency modulation
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7:4:11:26 Enhanced dc magnetic field sensitivity by improved flux concentration in magnetoelectric laminates
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7:4:11:27 Geometry-induced magnetoelectric effect enhancement and noise floor reduction in Metglas/piezofiber sensors
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7:4:11:28 Magnetostrictive stress reconfigurable thin film resonators for near direct current magnetoelectric sensors
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7:4:11:29 Enhancement in magnetic field sensitivity and reduction in equivalent magnetic noise by magnetoelectric laminate stacks
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7:4:11:30 Mechanical loss and magnetoelectric response in magnetostrictive/interdigitated-electrode/piezoelectric laminated resonators
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7:4:11:31 Quasi-static (f < 10(-2) Hz) frequency response of magnetoelectric composites based magnetic sensor
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7:4:11:32 Flux distraction effect on magnetoelectric laminate sensors and gradiometer
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7:4:11:33 Parallel multilayer magnetoelectric composite based on (1-x)Pb(Mg1/3Nb2/3)-xPbTiO(3) and Terfenol-D coupled with charge mode amplifier
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7:4:11:34 Effective optimization of magnetic noise for a Metglas/Pb(Zr,Ti)O-3 magnetoelectric sensor array in an open environment
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7:4:11:35 Bending Resonance in a Magnetostrictive-Piezoelectric Bilayer and Magnetoelectric Interactions
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7:4:12:1 Selectable Spontaneous Polarization Direction and Magnetic Anisotropy in BiFeO3-CoFe2O4 Epitaxial Nanostructures
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7:4:12:2 Deposition of epitaxial BiFeO3/CoFe2O4 nanocomposites on (001) SrTiO3 by combinatorial pulsed laser deposition
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7:4:12:3 Directed Self-Assembly of Epitaxial CoFe2O4-BiFeO3 Multiferroic Nanocomposites
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7:4:12:4 Magnetoelectric Coupling in Ordered Arrays of Multilayered Heteroepitaxial BaTiO3/CoFe2O4 Nanodots
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7:4:12:5 Misorientation Control and Functionality Design of Nanopillars in Self-Assembled Perovskite-Spinel Heteroepitaxial Nanostructures
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7:4:12:6 Adjustable magnetoelectric effect of self-assembled vertical multiferroic nanocomposite films by the in-plane misfit strain and ferromagnetic volume fraction
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7:4:12:7 Magnetoelectric and multiferroic properties of variously oriented epitaxial BiFeO3-CoFe2O4 nanostructured thin films
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7:4:12:8 Compositionally Modulated Magnetic Epitaxial Spinel/Perovskite Nanocomposite Thin Films
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7:4:12:9 Hierarchical Templating of a BiFeO3-CoFe2O4 Multiferroic Nanocomposite by a Triblock Terpolymer Film
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7:4:12:10 Templated Self-Assembly of Functional Oxide Nanocomposites
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7:4:12:11 Quantitative determination of anisotropic magnetoelectric coupling in BiFeO3-CoFe2O4 nanostructures
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7:4:12:12 Local probing of magnetoelectric coupling and magnetoelastic control of switching in BiFeO3-CoFe2O4 thin-film nanocomposite
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7:4:12:13 Pillar shape modulation in epitaxial BiFeO3-CoFe2O4 vertical nanocomposite films
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7:4:12:14 Thin Film Multiferroic Nanocomposites by Ion Implantation
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7:4:12:15 Effects of film thickness and mismatch strains on magnetoelectric coupling in vertical heteroepitaxial nanocomposite thin films
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7:4:12:16 Nucleation-Induced Self-Assembly of Multiferroic BiFeO3-CoFe2O4 Nanocomposites
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7:4:12:17 Simulation of inhomogeneous magnetoelastic anisotropy in ferroelectric/ferromagnetic nanocomposites
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7:4:12:18 Magnetic anisotropy in composite CoFe2O4-BiFeO3 ultrathin films grown by pulsed-electron deposition
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7:4:12:19 Role of spinel substrate in the morphology of BiFeO3-CoFe2O4 epitaxial nanocomposite films
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7:4:12:20 Self-assembled growth and magnetic properties of a BiFeO3-MgFe2O4 nanocomposite prepared by pulsed laser deposition
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7:4:12:21 Sol-Gel-Derived Epitaxial Nanocomposite Thin Films with Large Sharp Magnetoelectric Effect
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7:4:12:22 Field dependency of magnetoelectric coupling in multilayered nanocomposite arrays: Possible contribution from surface spins
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7:4:12:23 Self-assembled perovskite-spinel heterostructure on a highly distorted substrate
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7:4:12:24 Understanding the formation of ultrafine spinel CoFe2O4 nanoplatelets and their magnetic properties
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7:4:12:25 Magnetic properties of CoFe2O4 nanoparticles distributed in a multiferroic BiFeO3 matrix
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7:4:12:26 Compositionally tunable three-dimensional nano-seeding assembly in Fe-LaSrFeO4 nanostructure
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7:4:13:1 Structural evolution induced by acceptor doping into BaTiO3 ceramics
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7:4:13:2 Decisive role of oxygen vacancy in ferroelectric versus ferromagnetic Mn-doped BaTiO3 thin films
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7:4:13:3 Structural phase separation and optical and magnetic properties of BaTi1-xMnxO3 multiferroics
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7:4:13:4 Magnetoelectric coupling of multiferroic chromium doped barium titanate thin film probed by magneto-impedance spectroscopy
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7:4:13:33 Evolution of diffuse microscopic phases and magnetism in Ca, Fe co-doped BaTiO3
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7:4:13:41 Densification, microstructural evolution and microwave dielectric properties of fluxed sintered 12R-Ba(Ti0.5Mn0.5)O-3 ceramics
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7:4:13:42 First principles investigations of structural, electronic, elastic, and dielectric properties of KMgF3
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7:4:14:1 Polymer-Based Magnetoelectric Materials
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7:4:14:2 Nucleation of electroactive beta-phase poly(vinilidene fluoride) with CoFe2O4 and NiFe2O4 nanofillers: a new method for the preparation of multiferroic nanocomposites
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7:4:14:7 Influence of the beta-phase content and degree of crystallinity on the piezo- and ferroelectric properties of poly(vinylidene fluoride)
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7:4:14:8 Evaluation of reduced graphene oxide/ZnO effect on properties of PVDF nanocomposite films
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7:4:14:9 alpha- and gamma-PVDF: Crystallization kinetics, microstructural variations and thermal behaviour
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7:4:14:10 Preparation and electroactive properties of a PVDF/nano-TiO2 composite film
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7:4:14:11 Unzipped multiwalled carbon nanotubes-incorporated poly(vinylidene fluoride) nanocomposites with enhanced interface and piezoelectric beta phase
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7:4:14:12 Influence of zeolite structure and chemistry on the electrical response and crystallization phase of poly(vinylidene fluoride)
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7:4:14:13 Magnetic, dielectric and magnetodielectric properties of PVDF-La0.7Sr0.3MnO3 polymer nanocomposite film
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7:4:14:15 Ferroelectric and magnetic studies on unpoled Poly (vinylidine Fluoride)/Fe3O4 magnetoelectric nanocomposite structures
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7:4:14:16 Enhancement of beta-crystalline phase of poly(vinylidene fluoride) in the presence of hyperbranched copolymer wrapped multiwalled carbon nanotubes
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7:4:14:17 BiFeO3/poly(methyl methacrylate) nanocomposite films: A study on magnetic and dielectric properties
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7:4:14:38 Magnetoelectric effect in lead-free BNKLBT ceramic/terfenol-D continue fiber composite laminates
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7:4:14:39 Effect of interface bonding on the phase-transformation-aided magnetoelectric effect in ferromagnetic/ferroelectric composites
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7:4:15:1 Prospects for nanostructured multiferroic composite materials
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7:4:15:2 Synthesis and characterization of novel CoFe2O4-BaTiO3 multiferroic core-shell-type nanostructures
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7:4:15:3 Multiferroic and magnetoelectric properties of core-shell CoFe2O4@BaTiO3 nanocomposites
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7:4:15:4 The enhanced magnetodielectric interaction of (1-x)BaTiO3-xCoFe2O4 multiferroic composites
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7:4:15:5 Effects of the chemical composition of the magnetostrictive phase on the dielectric and magnetoelectric properties of cobalt ferrite-barium titanate composites
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7:4:15:6 Recent advances in multiferroic thin films and composites
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7:4:15:7 Multiferroic properties of multilayered BaTiO3-CoFe2O4 composites via tape casting method
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7:4:15:8 Converse magnetoelectric effect in CoFe2O4-BaTiO3 composites with a core-shell structure
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7:4:15:9 Cobalt Ferrite/Barium Titanate Core/Shell Nanoparticles
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7:4:15:10 Synthesis of BaTiO3-20wt%CoFe2O4 Nanocomposites via Spark Plasma Sintering
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7:4:15:11 Magnetocapacitance in BaTiO3-CoFe2O4 nanocomposites
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7:4:15:12 CoFe2O4/BaTiO3 Composites via Spark Plasma Sintering with Enhanced Magnetoelectric Coupling and Excellent Anisotropy
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7:4:15:13 Exchange bias effect in nickel zinc ferrite-mesoporous silica nanocomposites
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7:4:15:14 Multiferroic behaviour of nanoporous BaTiO3
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7:4:15:15 Multifunctional behaviour of mesoporous LiNbO3
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7:4:15:16 Giant magnetocapacitance effect in nickel zinc ferrite impregnated mesoporous silica
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7:4:15:17 Dependence of magnetoelectric properties on the magnetostrictive content in 0-3 composites
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7:4:15:18 Magnetodielectric properties of CoFe2O4-BaTiO3 core-shell nanocomposite
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7:4:15:19 Dielectric and magnetic properties of BaTiO3/Ni0.5Zn0.5Fe2O4 composite ceramics synthesized by a co-precipitation process
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7:4:15:20 Size effect on magnetoelectric coupling in multiferroic heterostructures
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7:4:15:21 Study of dielectric and magnetic properties of PbZr0.52Ti0.48O3-Mn0.3Co0.6Zn0.4Fe1.7O4 composite
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7:4:15:22 Magnetoelectric Effect in (0-3) CoFe2O4-BaTiO3(20/80) Composite Ceramics Prepared by the Organosol Route
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7:4:15:23 Magnetoresistivity in CoFe2O4-BaTiO3 composites produced by spark plasma sintering
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7:4:15:24 A route to synthesize multifunctional tri-phasic nanofibers
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7:4:15:25 Studies on dielectric and magnetoelectric behavior of 25% CMFO ferrite and 75% BZT ferroelectric multiferroic magnetoelectric composites
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7:4:15:26 Fabrication and Properties of BaTiO3-CoFe2O4 Nanocomposites
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7:4:15:27 Dielectrical and Magnetic Properties of CoFe2O4-BaTiO(3)Composite Films Prepared by a Combined Method of Sol-Gel and Electrophoretic Deposition
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7:4:15:28 Modified Composition of Cobalt Ferrite as Microwave Absorber in X-Band Frequencies
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7:4:15:29 Magnetoelectric properties of CoFe2O4-BaTiO3 core-shell structure composite studied by a magnetic pulse method
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7:4:15:30 Electron Backscattered Diffraction of MonoCrystalline Bismuth Titanate
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7:4:16:1 Controlling the electronic structure of Co1-xFe2+xO4 thin films through iron doping
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7:4:16:2 Perpendicular magnetic anisotropy in 70 nm CoFe2O4 thin films fabricated on SiO2/Si(100) by the sol-gel method
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7:4:16:3 Magnetic anisotropy and field switching in cobalt ferrite thin films deposited by pulsed laser ablation
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7:4:16:4 Effect of non-magnetic ion substitution on the magnetoelastic properties of CoFe2O4 films
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7:4:16:5 Magnetic structure of Fe-doped CoFe2O4 probed by x-ray magnetic spectroscopies
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7:4:16:6 (111)-Oriented Co0.8Fe2.2O4+delta thin film grown by pulsed laser deposition: structural and magnetic properties
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7:4:16:7 Crossover of uniaxial magnetic anisotropy direction mediated by interfacial strain of CoFe2O4 films
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7:4:16:8 Thickness dependent magnetic properties of (111)-oriented Co0.8Fe2.2O4 thin film grown by pulsed laser deposition
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7:4:16:9 Enhancement of in-plane magnetic anisotropy in (111)-oriented Co0.8Fe2.2O4 thin film by deposition of PZT top layer
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7:4:16:10 Enhanced magnetic moment in ultrathin Fe-doped CoFe2O4 films
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7:4:16:11 In-plane strain control of the magnetic remanence and cation-charge redistribution in CoFe2O4 thin film grown on a piezoelectric substrate
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7:4:16:12 Extraordinarily large perpendicular magnetic anisotropy in epitaxially strained cobalt-ferrite CoxFe3-xO4(001) (x=0.75, 1.0) thin films
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7:4:16:13 Strong in-plane magnetic anisotropy in (111)-oriented CoFe2O4 thin film
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7:4:16:14 Epitaxial strain-induced changes in the cation distribution and resistivity of Fe-doped CoFe2O4
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7:4:16:15 Perpendicular magnetic anisotropy in CoFe2O4(001) films epitaxially grown on MgO(001)
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7:4:16:16 Role of epitaxial strain on the magnetic structure of Fe-doped CoFe2O4
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7:4:16:17 Microstructural and domain effects in epitaxial CoFe2O4 films on MgO with perpendicular magnetic anisotropy
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7:4:16:18 Growth of crystalline cobalt ferrite thin films at lower temperatures using pulsed-laser deposition technique
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7:4:16:19 Perpendicular magnetic anisotropy in epitaxially strained cobalt-ferrite (001) thin films
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7:4:16:20 Morphology and magnetic properties of Co0.8Fe2.2O4 films prepared by the chemical solution deposition
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7:4:16:21 Electron theory of perpendicular magnetic anisotropy of Co-ferrite thin films
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7:4:16:22 Thickness dependent anomalous magnetic behavior in pulsed-laser deposited cobalt ferrite thin film
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7:4:16:23 Influence of reactive atmosphere on properties of cobalt ferrite thin films prepared using pulsed-laser deposition
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7:4:16:24 Nonlinear strain dependence of magnetic anisotropy in CoFe2O4 films on MgO(001) substrates
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7:4:16:25 Stability of nonthermodynamic equilibrium cation distribution frozen during pulsed laser deposition of Co-ferrite thin films
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7:4:16:26 In-situ synthesis, local structure, photoelectrochemical property of Fe-intercalated titanate nanotube
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7:4:16:27 Structure and static magnetic properties of Zr-substituted NiZn ferrite thin films synthesized by sol-gel process
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7:4:16:28 Investigation of cation distribution in single crystalline Fe3-xMnxO4 microspheres based on Mossbauer spectroscopy
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7:4:17:1 High frequency magneto-dielectric effects in self-assembled ferrite-ferroelectric core-shell nanoparticles
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7:4:17:2 Superstructures of self-assembled multiferroic core-shell nanoparticles and studies on magneto-electric interactions
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7:4:17:3 Controlled self-assembly of multiferroic core-shell nanoparticles exhibiting strong magneto-electric effects
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7:4:17:4 Modular "Click" Chemistry for Electrochemically and Photoelectrochemically Active Molecular Interfaces to Tin Oxide Surfaces
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7:4:17:5 Chemically Directed Assembly of Photoactive Metal Oxide Nanoparticle Heterojunctions via the Copper-Catalyzed Azide-Alkyne Cycloaddition "Click" Reaction
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7:4:17:6 A Citric Acid-Derived Ligand for Modular Functionalization of Metal Oxide Surfaces via "Click" Chemistry
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7:4:17:7 Magnetic field-directed self-assembly of magnetic nanoparticles
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7:4:17:8 A "Clickable" Titanium Surface Platform
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7:4:17:9 Magnetic field assisted self-assembly of ferrite-ferroelectric core-shell nanofibers and studies on magneto-electric interactions
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7:4:17:10 Electric-field control of ferromagnetic resonance in monolithic BaFe(12)O(19)-Ba(0.5)Sr(0.5)TiO(3) heterostructures
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7:4:17:11 Chemically assembled heterojunctions of SnO2 nanorods with TiO2 nanoparticles via "click" chemistry
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7:4:17:12 Generic Process for Highly Stable Metallic Nanoparticle-Semiconductor Heterostructures via Click Chemistry for Electro/Photocatalytic Applications
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7:4:17:13 Functionalization of Nanostructured ZnO Films by Copper-Free Click Reaction
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7:4:17:14 Chemical Bonding Assembly of Multifunctional Oxide Nanocomposites
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7:4:17:15 Effect of strain and deadlayer on the polarization switching of ferroelectric thin film
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7:4:17:16 Arsonic Acid As a Robust Anchor Group for the Surface Modification of Fe3O4
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7:4:17:17 Magnetic Nanoparticle Assembly on Surfaces Using Click Chemistry
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7:4:17:18 Account for Mutual Influence of Electrical, Elastic, and Thermal Phenomena for Ferroelectric Domain Wall Modeling
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7:4:17:19 Phase field modeling of domain structures and P-E hysteresis in thin ferroelectric layers with deadlayers
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7:4:18:1 Coexistence of Antiferromagnetic and Spin Cluster Glass Order in the Magnetoelectric Relaxor Multiferroic PbFe0.5Nb0.5O3
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7:4:18:2 Magnetic properties of PbFe1/2Nb1/2O3: Mossbauer spectroscopy and first-principles calculations
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7:4:18:3 Nb-93 NMR and Fe3+ EPR study of local magnetic properties of magnetoelectric Pb(Fe1/2Nb1/2)O-3
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7:4:18:4 Spin correlated dielectric memory and rejuvenation in multiferroic CuCrS2
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7:4:18:5 Effect of Ba and Ti doping on magnetic properties of multiferroic Pb(Fe1/2Nb1/2)O-3
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7:4:18:6 Magnetic interactions in disordered perovskite PbFe1/2Nb1/2O3 and related compounds: Dominance of nearest-neighbor interaction
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7:4:18:7 Ferroic transitions in the multiferroic (1-x)Pb(Fe1/2Nb1/2)O-3-xPbTiO(3) system and its phase diagram
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7:4:18:8 Raman Spectra of PbFe0.5Nb0.5O3 Multiferroic Single Crystals and Ceramics
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7:4:18:9 Crystal structure evolution and local symmetry of perovskite solid solution Ba[(Fe1/2Nb1/2)(1-x)Ti-x]O-3 investigated by Raman spectra
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7:4:18:10 Studies of ferroelectric and magnetic phase transitions in multiferroic PbFe0.5Ta0.5O3-PbTiO3 solid solution ceramics
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7:4:18:11 Microscopic coexistence of antiferromagnetic and spin-glass states
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7:4:18:12 Pressure-induced polar phases in relaxor multiferroic PbFe0.5Nb0.5O3
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7:4:18:13 Field-Induced Enhancement of Pyroelectric Response of PbMg1/3Nb2/3O3-PbTiO3 and PbFe1/2Nb1/2O3-PbTiO3 Solid Solution Ceramics
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7:4:18:14 Piezoelectric Properties of PbFe1/2Nb1/2O3-PbTiO3 Ceramics from the Morphotropic Phase Boundary Compositional Range
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7:4:18:15 Magnetic and polar phases and dynamical clustering in multiferroic layered solid solutions CuCr1-xInxP2S6
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7:4:18:16 Magnetic short- and long-range order in PbFe0.5Ta0.5O3
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7:4:18:17 Local Structure Evolution in Ba-Substituted Pb(Fe1/2Nb1/2)O-3 Ceramics
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7:4:18:18 Variable-range-hopping conductivity in high-k Ba(Fe0.5Nb0.5)O-3 ceramics
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7:4:18:19 Phase diagram of mixed Cu(InxCr1-x)P2S6 crystals
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7:4:18:20 Magnetoelectric Coupling in Disordered Multiferroics
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7:4:18:21 Mossbauer Studies of PbFe0.5Nb0.5O3 - PbFe0.5Sb0.5O3 Multiferroic Solid Solutions
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7:4:18:22 Cooling field and temperature dependence on training effect in NiFe2O4-NiO nanogranular system
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7:4:18:23 A study of phase coexistence and temperature dependent monoclinic to tetragonal phase transition in the multiferroic (1-x)Pb(Fe1/2Nb1/2)O-3-xPbTiO(3) (x=0.08)
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7:4:18:24 X-ray photoelectron study and first principle calculations of the electronic structure of PbFe1/2Nb1/2O3 single crystal in the ferroelectric and paraelectric phases
DOI:10.1016/j.jallcom.2013.05.229 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:2 AU: Kozakov, A. T.;Polozhentsev, O. E.;Soldatov, A. V.;Googlev, K. A.;Nikolsky, A. V.;Raevski, I. P.;
7:4:18:25 Studies of Ferroelectric and Magnetic Phase Transitions in Pb(1-x)A(x)Fe(1/2)Nb(1/2)O(3) (A-Ca, Ba) Solid Solutions
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7:4:18:26 The Effect of PbO-Nonstoichiometry on Dielectric and Semiconducting Properties of PbFe0.5Nb0.5O3-Based Ceramics
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7:4:18:27 Dielectric and Magnetic Properties of Sr(Fe1/2Ta1/2)O-3 Complex Perovskite Ceramics
DOI:10.1111/jace.12162 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:0 AU: Lv, Xin;Liu, Xiao Qiang;Zhao, Hong Jian;Yang, Wen Zhi;Chen, Xiang Ming;
7:4:18:28 Low frequency dielectric investigation of Rb-0.5(ND4)(0.5)D2PO4 dipolar glass: Comparison with nuclear magnetic resonance investigations
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7:4:18:29 Scandium induced structural transformation and B ':B '' cationic ordering in Pb(Fe0.5Nb0.5)O-3 multiferroic ceramics
DOI:10.1063/1.4890020 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Mallesham, B.;Ranjith, R.;Manivelraja, M.;
7:4:18:30 Microscopic coexistence of antiferromagnetic and spin-glass states (vol 87, 220403, 2013)
DOI:10.1103/PhysRevB.87.219905 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Chillal, S.;Thede, M.;Litterst, F. J.;Gvasaliya, S. N.;Shaplygina, T. A.;Lushnikov, S. G.;Zheludev, A.;
7:4:18:31 The Effect of Bias Field on Dielectric Response in Lead Ferrotantalate Ceramics
DOI:10.1080/10584587.2011.570673 JN:INTEGRATED FERROELECTRICS PY:2011 TC:2 AU: Bormanis, K.;Burkhanov, A. I.;Vaingolts, A. I.;Kalvane, A.;
7:4:18:32 Electronic, magnetic and multiferroic properties of magnetoelectric NiTiO3
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7:4:19:1 Room-temperature multiferroic magnetoelectrics
DOI:10.1038/am.2013.58 JN:NPG ASIA MATERIALS PY:2013 TC:33 AU: Scott, James F.;
7:4:19:2 Symmetries and multiferroic properties of novel room-temperature magnetoelectrics: Lead iron tantalate - lead zirconate titanate (PFT/PZT)
DOI:10.1063/1.3670361 JN:AIP ADVANCES PY:2011 TC:34 AU: Sanchez, Dilsom A.;Ortega, N.;Kumar, Ashok;Roque-Malherbe, R.;Polanco, R.;Scott, J. F.;Katiyar, Ram S.;
7:4:19:3 Phonon anomalies and phonon-spin coupling in oriented PbFe0.5Nb0.5O3 thin films
DOI:10.1103/PhysRevB.83.014302 JN:PHYSICAL REVIEW B PY:2011 TC:25 AU: Correa, Margarita;Kumar, Ashok;Priya, Shashank;Katiyar, R. S.;Scott, J. F.;
7:4:19:4 Novel room temperature multiferroics on the base of single-phase nanostructured perovskites
DOI:10.1063/1.4891459 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:3 AU: Glinchuk, Maya D.;Eliseev, Eugene A.;Morozovska, Anna N.;
7:4:19:5 Near-room temperature relaxor multiferroic
DOI:10.1063/1.3519979 JN:APPLIED PHYSICS LETTERS PY:2010 TC:14 AU: Sanchez, Dilsom A.;Kumar, A.;Ortega, N.;Katiyar, R. S.;Scott, J. F.;
7:4:19:6 Fabrication and characterization of the multiferroic birelaxor lead-iron-tungstate/lead-zirconate-titanate
DOI:10.1063/1.3481411 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:17 AU: Kumar, Ashok;Katiyar, R. S.;Scott, J. F.;
7:4:19:7 Room-temperature single phase multiferroic magnetoelectrics: Pb(Fe, M)(x)(Zr,Ti)((1-x))O-3 [M = Ta, Nb]
DOI:10.1063/1.4790317 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:11 AU: Sanchez, Dilsom A.;Ortega, Nora;Kumar, Ashok;Sreenivasulu, G.;Katiyar, Ram S.;Scott, J. F.;Evans, Donald M.;Arredondo-Arechavala, Miryam;Schilling, A.;Gregg, J. M.;
7:4:19:8 Multiferroic perovskite (Pb0.845Sm0.08Fe0.035)(Ti0.98Mn0.02)O-3 with ferroelectric and weak ferromagnetic properties
DOI:10.1063/1.4811258 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Craciun, F.;Dimitriu, E.;Grigoras, M.;Lupu, N.;
7:4:19:9 Biferroic relaxors
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7:4:19:10 Studies of the Room-Temperature Multiferroic Pb(Fe0.5Ta0.5)0.4(Zr0.53Ti0.47)0.6O3: Resonant Ultrasound Spectroscopy, Dielectric, and Magnetic Phenomena
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7:4:19:11 Room temperature multiferroic properties of (Fe-x, Sr1-x)TiO3 thin films
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7:4:19:12 Size effects in the temperatures of phase transitions in KNbO3 nanopowder
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7:4:19:13 Electrical behavior of Pb(Zr0.52Ti0.48)(0.5)(Fe0.5Nb0.5)(0.5)O-3 ceramics
DOI:10.1016/j.matchemphys.2011.06.059 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:8 AU: Kumar, Nawnit;Ghosh, Avijit;Choudhary, R. N. P.;
7:4:19:14 Ferroelectric-carbon nanotube memory devices
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7:4:19:15 The emergence of magnetic properties in (Pb0.845Sm0.08Fe0.035)(Ti0.98Mn0.02)O-3 and (Pb0.88Nd0.08)(Ti0.98Mn0.02)O-3 perovskite ceramics
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7:4:19:16 Investigation of Multiferroic Properties of (PbZr0.53Ti0.47 O-3)((1-x))-(PbFe0.5Ta0.5O3)(x) Ceramics
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7:4:19:17 Investigation on Room Temperature Multiferroic Bi-Relaxor
DOI:10.1080/10584587.2011.616422 JN:INTEGRATED FERROELECTRICS PY:2011 TC:3 AU: Kumar, Ashok;Scott, J. F.;Katiyar, R. S.;
7:4:19:18 Controlled Synthesis of BaTiO(3)-Coated Multiwall Carbon Nanotubes
DOI:10.1111/j.1551-2916.2010.04154.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:4 AU: Bedekar, Vishwas;Murayama, Mitsu;Mahajan, Roop L.;Priya, Shashank;
7:4:19:19 Magnetic properties of nanocrystalline KNbO3
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7:4:19:20 Electronic structure, magnetic and electrical properties of multiferroic PbFe1/2Ta1/2O3
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7:4:20:1 Nanoferronics is a winning combination
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7:4:20:2 Atomic and Electronic Structure of the BaTiO3/Fe Interface in Multiferroic Tunnel Junctions
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7:4:20:3 Structural Secrets of Multiferroic Interfaces
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7:4:20:4 Ab initio study of the effects of interfacial structure on the ferroelectric, magnetic, and magnetoelectric coupling properties of Fe/BaTiO3 multiferroic tunnel junctions
DOI:10.1103/PhysRevB.89.014106 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Yin, Binglun;Qu, Shaoxing;
7:4:20:5 Electric Field-Induced Oxidation of Ferromagnetic/Ferroelectric Interfaces
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7:4:20:6 Fe/BaTiO3 interface: Band alignment and chemical properties
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7:4:20:7 Absence of strain-mediated magnetoelectric coupling at fully epitaxial Fe/BaTiO3 interface (invited)
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7:4:20:8 Two dimensional growth of ultrathin Fe films on BaTiO3 with sharp chemical interface
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7:4:20:9 Microstructure of the potentially multiferroic Fe/BaTiO3 epitaxial interface
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7:4:20:10 Epitaxial growth of Fe/BaTiO3 heterostructures
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7:4:20:11 Correlation between growth dynamics and dielectric properties of epitaxial BaTiO3 films
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7:4:20:12 Tuning the Structure of Ultrathin BaTiO3 Films on Me(001) (Me = Fe, Pd, Pt) Surfaces
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7:4:20:13 First-principles calculation of x-ray absorption spectra and x-ray magnetic circular dichroism of ultrathin Fe films on BaTiO3(001)
DOI:10.1103/PhysRevB.85.134432 JN:PHYSICAL REVIEW B PY:2012 TC:0 AU: St Borek;Maznichenko, I.;Fischer, G.;Hergert, W.;Mertig, I.;Ernst, A.;Ostanin, S.;Chasse, A.;
7:4:20:14 Magnetic properties of self-assembled Fe nanoislands on BaTiO3(001)
DOI:10.1016/j.jmmm.2013.07.004 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:2 AU: Govind, R. K.;Babu, V. Hari;Chiang, C. -T.;Magnano, E.;Bondino, F.;Denecke, R.;Schindler, K. -M.;
7:4:20:15 Ferroelectric control of magnetic anisotropy of FePt/BaTiO3 magnetoelectric heterojunction: A density functional theory study
DOI:10.1063/1.4800499 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Lee, Minho;Choi, Heechae;Chung, Yong-Chae;
7:4:20:16 Magnetoelectric properties of the Co/PbZrxTi1-xO3 (001) interface studied from first principles
DOI:10.1103/PhysRevB.89.054436 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Borisov, V. S.;Ostanin, S.;Maznichenko, I. V.;Ernst, A.;Mertig, I.;
7:4:20:17 Effect of vacancies (O, Ti) on the interfacial bonding strength and magnetoelectricity in Fe/BaTiO3: A first-principles study
DOI:10.1016/j.commatsci.2014.06.038 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2014 TC:0 AU: Deng, Lei;Chen, Dong;Zhu, Yinlian;Ma, Xiuliang;
7:4:20:18 Pulsed laser deposition of ultrathin BaTiO3/Fe bi-layers: Structural characterization and piezoelectric response
DOI:10.1016/j.tsf.2011.10.188 JN:THIN SOLID FILMS PY:2012 TC:10 AU: Zenkevich, A.;Minnekaev, M.;Lebedinskii, Yu.;Bulakh, K.;Chouprik, A.;Baturin, A.;Mantovan, R.;Fanciulli, M.;Uvarov, O.;
7:4:20:19 Atomic and Electronic Structure of the BaTiO3/Fe Interface in Multiferroic Tunnel Junctions (vol 12, pg 376, 2012)
DOI:10.1021/nl300315t JN:NANO LETTERS PY:2012 TC:0 AU: Bocher, Laura;Gloter, Alexandre;Crassous, Arnaud;Garcia, Vincent;March, Katia;Zobelli, Alberto;Valencia, Sergio;Enouz-Vedrenne, Shaima;Moya, Xavier;Mathur, Neil D.;Deranlot, Cyrile;Fusil, Stephane;Bouzehouane, Karim;Bibes, Manuel;Barthelemy, Agnes;Colliex, Christian;Stephan, Odile;
7:4:21:1 Nonlinear harmonic distortion effect in magnetoelectric laminate composites
DOI:10.1063/1.4887373 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Xu, Hao;Pei, Yongmao;Fang, Daining;Wang, Panding;
7:4:21:2 Giant magnetoelectric effect in nonlinear Metglas/PIN-PMN-PT multiferroic heterostructure
DOI:10.1063/1.4898039 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Staruch, M.;Li, J. F.;Wang, Y.;Viehland, D.;Finkel, P.;
7:4:21:3 Resonance mixing of alternating current magnetic fields in a multiferroic composite
DOI:10.1063/1.4775797 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Burdin, D. A.;Chashin, D. V.;Ekonomov, N. A.;Fetisov, Y. K.;Fetisov, L. Y.;Sreenivasulu, G.;Srinivasan, G.;
7:4:21:4 A novel frequency multiplier based on magneto electric laminate
DOI:10.1016/j.jmmm.2010.08.039 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:17 AU: Ma, Jing;Li, Zheng;Lin, Yuanhua;Nan, C. W.;
7:4:21:5 Nonlinear resonant magnetoelectric interactions and efficient frequency doubling in a ferromagnetic-ferroelectric layered structure
DOI:10.1063/1.4798579 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Fetisov, L. Y.;Fetisov, Y. K.;Sreenivasulu, G.;Srinivasan, G.;
7:4:21:6 Piezomagnetic strain-dependent non-linear magnetoelectric response enhancement by flux concentration effect
DOI:10.1063/1.4803660 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Shen, Ying;Gao, Junqi;Wang, Yaojin;Finkel, Peter;Li, Jiefang;Viehland, D.;
7:4:21:7 High non-linear magnetoelectric coefficient in Metglas/PMN-PT laminate composites under zero direct current magnetic bias
DOI:10.1063/1.4867516 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:4 AU: Shen, Ying;Gao, Junqi;Wang, Yaojin;Li, Jiefang;Viehland, D.;
7:4:21:8 Nonlinear magneto-electric effects in ferromagnetic-piezoelectric composites
DOI:10.1016/j.jmmm.2014.01.062 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:3 AU: Burdin, D. A.;Chashin, D. V.;Ekonomov, N. A.;Fetisov, L. Y.;Fetisov, Y. K.;Sreenivasulu, G.;Srinivasan, G.;
7:4:21:9 Frequency multiplying behavior in a magnetoelectric unimorph
DOI:10.1063/1.3678635 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Zhang, Wenhui;Yin, Ge;Cao, Jiangwei;Bai, Jianmin;Wei, Fulin;
7:4:21:10 Magnetoelectric nonlinearity in magnetoelectric laminate sensors
DOI:10.1063/1.3665130 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:10 AU: Shen, Liangguo;Li, Menghui;Gao, Junqi;Shen, Ying;Li, J. F.;Viehland, D.;Zhuang, X.;Sing, M. Lam Chok;Cordier, C.;Saez, S.;Dolabdjian, C.;
7:4:21:11 Magnetoelectric coupling in multiferroic laminated plates with giant magnetostrictive material layers
DOI:10.1063/1.3671400 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:10 AU: Zhang, C. L.;Chen, W. Q.;
7:4:21:12 Geomagnetic field tuned frequency multiplication in Metglas/Pb(Zr, Ti)O-3 heterostructure
DOI:10.1016/j.matlet.2012.08.062 JN:MATERIALS LETTERS PY:2012 TC:4 AU: Gao, Junqi;Shen, Ying;Finkel, Peter;Blottman, John;Li, Jiefang;Viehland, D.;
7:4:21:13 Magnetoelectric interactions in layered composites of piezoelectric quartz and magnetostrictive alloys
DOI:10.1103/PhysRevB.86.214405 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;
7:4:21:14 Tunable magnetoelectric response of dimensionally gradient laminate composites
DOI:10.1063/1.4720095 JN:APPLIED PHYSICS LETTERS PY:2012 TC:5 AU: Park, C. -S.;Avirovik, D.;Bichurin, M. I.;Petrov, V. M.;Priya, S.;
7:4:21:15 Enhancing the sensitivity of magnetoelectric sensors by increasing the operating frequency
DOI:10.1063/1.3668752 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Petrie, Jonathan;Viehland, Dwight;Gray, David;Mandal, Sanjay;Sreenivasulu, Gollapudi;Srinivasan, Gopalan;Edelstein, Alan S.;
7:4:21:16 Self-powered low noise magnetic sensor
DOI:10.1016/j.matlet.2012.05.067 JN:MATERIALS LETTERS PY:2012 TC:6 AU: Gao, Junqi;Wang, Zhiguang;Shen, Ying;Li, Menghui;Wang, Yaojin;Finkel, Peter;Li, Jiefang;Viehland, D.;
7:4:21:17 Enhanced sensitivity in magnetoelectric current-sensing devices with frequency up-conversion mechanism by modulating the magnetostrictive strain
DOI:10.1063/1.4862081 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Zhang, Jitao;Li, Ping;Wen, Yumei;He, Wei;Yang, Jin;Yang, Aichao;Lu, Caijiang;Li, Wenli;
7:4:21:18 Concurrent operational modes and enhanced current sensitivity in heterostructure of magnetoelectric ring and piezoelectric transformer
DOI:10.1063/1.4801390 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:7 AU: Zhang, Shengyao;Leung, Chung Ming;Kuang, Wei;Or, Siu Wing;Ho, S. L.;
7:4:22:1 Giant electric field controlled magnetic anisotropy in epitaxial BiFeO3-CoFe2O4 thin film heterostructures on single crystal Pb(Mg1/3Nb2/3)(0.7)Ti0.3O3 substrate
DOI:10.1063/1.3619836 JN:APPLIED PHYSICS LETTERS PY:2011 TC:24 AU: Wang, Zhiguang;Yang, Yaodong;Viswan, Ravindranath;Li, Jiefang;Viehland, D.;
7:4:22:2 Crafting the strain state in epitaxial thin films: A case study of CoFe2O4 films on Pb(Mg,Nb)O-3-PbTiO3
DOI:10.1103/PhysRevB.90.134103 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Wang, Zhiguang;Wang, Yaojin;Luo, Haosu;Li, Jiefang;Viehland, D.;
7:4:22:3 Electrical and thermal control of magnetic coercive field in ferromagnetic/ferroelectric heterostructures
DOI:10.1103/PhysRevB.89.035118 JN:PHYSICAL REVIEW B PY:2014 TC:5 AU: Wang, Zhiguang;Zhang, Yue;Viswan, Ravindranath;Li, Yanxi;Luo, Haosu;Li, Jiefang;Viehland, D.;
7:4:22:4 Magnetoelectric Assisted 180 degrees Magnetization Switching for Electric Field Addressable Writing in Magnetoresistive Random-Access Memory
DOI:10.1021/nn503369y JN:ACS NANO PY:2014 TC:7 AU: Wang, Zhiguang;Zhang, Yue;Wang, Yaojin;Li, Yanxi;Luo, Haosu;Li, Jiefang;Viehland, Dwight;
7:4:22:5 Domain rotation induced strain effect on the magnetic and magneto-electric response in CoFe2O4/Pb(Mg,Nb)O-3-PbTiO3 heterostructures
DOI:10.1063/1.3684546 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:9 AU: Wang, Zhiguang;Viswan, Ravindranath;Hu, Bolin;Li, Jie-Fang;Harris, V. G.;Viehland, D.;
7:4:22:6 Engineered Magnetic Shape Anisotropy in BiFeO3-CoFe2O4 Self-Assembled Thin Films
DOI:10.1021/nn4003506 JN:ACS NANO PY:2013 TC:14 AU: Wang, Zhiguang;Li, Yanxi;Viswan, Ravindranath;Hu, Bolin;Harris, Vincent G.;Li, Jiefang;Viehland, Dwight;
7:4:22:7 Magnetoelectric effect in crystallographically textured BaTiO3 films deposited on ferromagnetic metallic glass foils
DOI:10.1063/1.3544352 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:11 AU: Wang, Zhiguang;Yan, Li;Yang, Yaodong;Li, Jie-Fang;Das, Jaydip;Geiler, Anton L.;Yang, Aria;Chen, Yajie;Harris, V. G.;Viehland, D.;
7:4:22:8 Controlled growth of epitaxial BiFeO3 films using self-assembled BiFeO3-CoFe2O4 multiferroic heterostructures as a template
DOI:10.1063/1.4734508 JN:APPLIED PHYSICS LETTERS PY:2012 TC:8 AU: Li, Yanxi;Yang, Yaodong;Yao, Jianjun;Viswan, Ravindranath;Wang, Zhiguang;Li, Jiefang;Viehland, D.;
7:4:22:9 Volatile and nonvolatile magnetic easy-axis rotation in epitaxial ferromagnetic thin films on ferroelectric single crystal substrates
DOI:10.1063/1.4823539 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Wang, Z.;Wang, Y.;Ge, W.;Li, J.;Viehland, D.;
7:4:22:10 Annealing control of magnetic anisotropy and phase separation in CoFe2O4-BaTiO3 nanocomposite films
DOI:10.1063/1.4849915 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Rafique, Mohsin;Herklotz, A.;Guo, E. -J.;Roth, R.;Schultz, L.;Doerr, K.;Manzoor, Sadia;
7:4:22:11 Epitaxial BiFe0.95Mn0.05O3 thin films on transparent La0.07Ba0.93SnO3 electrodes
DOI:10.1016/j.jallcom.2013.07.158 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:0 AU: Liu, Qinzhuang;Li, Hong;Fan, Lele;
7:4:22:12 Electric-field induced strain modulation of magnetization in Fe-Ga/Pb(Mg1/3Nb2/3)-PbTiO3 magnetoelectric heterostructures
DOI:10.1063/1.4866495 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:3 AU: Zhang, Yue;Wang, Zhiguang;Wang, Yaojin;Luo, Chengtao;Li, Jiefang;Viehland, Dwight;
7:4:22:13 Multi-orientation patterned deposition of BaTiO(3) thin films using an Au buffer layer
DOI:10.1016/j.tsf.2010.05.108 JN:THIN SOLID FILMS PY:2010 TC:5 AU: Yang, Yaodong;Yao, Jianjun;Li, Jiefang;Das, Jaydip;Viehland, D.;
7:4:22:14 Self-assembled NaNbO3-Nb2O5 (ferroelectric-semiconductor) heterostructures grown on LaAlO3 substrates
DOI:10.1063/1.4754713 JN:APPLIED PHYSICS LETTERS PY:2012 TC:0 AU: Wang, Zhiguang;Li, Yanxi;Chen, Bo;Viswan, Ravindranath;Li, Jie-Fang;Viehland, D.;
7:4:22:15 When Pt meets BaTiO3: Interaction between metal nanoparticles and oxide thin films
DOI:10.1016/j.matlet.2011.01.056 JN:MATERIALS LETTERS PY:2011 TC:1 AU: Yang, Yaodong;Yao, Jianjun;Li, Jie-Fang;Viehland, D.;
7:4:22:16 Nanostructures in perovskite-ferrite two-phase composite epitaxial thin films
DOI:10.1080/14786430902967702 JN:PHILOSOPHICAL MAGAZINE PY:2010 TC:4 AU: Yan, Li;Bai, Feiming;Li, Jiefang;Viehland, D.;
7:4:23:1 Functional properties of BaTiO3-Ni0.5Zn0.5Fe2O4 magnetoelectric ceramics prepared from powders with core-shell structure
DOI:10.1063/1.3340844 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:36 AU: Curecheriu, L. P.;Buscaglia, M. T.;Buscaglia, V.;Mitoseriu, L.;Postolache, P.;Ianculescu, A.;Nanni, P.;
7:4:23:2 Formation of Sol-Gel In Situ Derived BTO/NZFO Composite Ceramics with Considerable Dielectric and Magnetic Properties
DOI:10.1111/jace.12181 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:13 AU: Xiao, Bin;Dong, Yanling;Ma, Ning;Du, Piyi;
7:4:23:3 Multi-field susceptible high-f(c) ceramic composite with atypical topological microstructure and extraordinary electromagnetic properties
DOI:10.1039/c4tc01317d JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2014 TC:2 AU: Xiao, Bin;Zheng, Wan;Zhu, Mingkai;Zhao, Wenjia;Ma, Ning;Du, Piyi;
7:4:23:4 Dielectric, magnetic and magnetoelectric properties of Ni0.5Zn0.5Fe2O4+Pb(Zr0.48Ti0.52)O-3 composite ceramics
DOI:10.1016/j.ceramint.2013.11.027 JN:CERAMICS INTERNATIONAL PY:2014 TC:3 AU: Zhang, Yuxiang;Zhou, Jian-Ping;Liu, Qian;Zhang, Saihuan;Deng, Chao-Yong;
7:4:23:5 Structural, dielectric, ferromagnetic, ferroelectric and ac conductivity studies of the BaTiO3-CoFe1.8Zn0.2O4 multiferroic particulate composites
DOI:10.1016/j.ceramint.2014.01.115 JN:CERAMICS INTERNATIONAL PY:2014 TC:2 AU: Sharma, Richa;Pahuja, Poonam;Tandon, R. P.;
7:4:23:6 Polarization relaxation mechanism of Ba0.6Sr0.4TiO3/Ni0.8Zn0.2Fe2O4 composite with giant dielectric constant and high permeability
DOI:10.1063/1.3490782 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:24 AU: Yang, Haibo;Wang, Hong;He, Li;Shui, Li;Yao, Xi;
7:4:23:7 Percolative NZFO/BTO ceramic composite with magnetism threshold
DOI:10.1039/c3tc30807c JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2013 TC:9 AU: Xiao, Bin;Ma, Ning;Du, Piyi;
7:4:23:8 Hexagonal BaTiO3/Ni0.8Zn0.2Fe2O4 composites with giant dielectric constant and high permeability
DOI:10.1016/j.matchemphys.2012.03.068 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:8 AU: Yang, Haibo;Wang, Hong;He, Li;Yao, Xi;
7:4:23:9 Nano conductive particle dispersed percolative thin film ceramics with high permittivity and high tunability
DOI:10.1063/1.3699012 JN:APPLIED PHYSICS LETTERS PY:2012 TC:10 AU: Wang, Zongrong;Hu, Tao;Li, Xiaoge;Han, Gaorong;Weng, Wenjian;Ma, Ning;Du, Piyi;
7:4:23:10 DC conductivity and magnetic properties of piezoelectric-piezomagnetic composite system
DOI:10.1016/j.jmmm.2012.07.028 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:7 AU: Hemeda, O. M.;Tawfik, A.;A-Al-Sharif;Amer, M. A.;Kamal, B. M.;El Refaay, D. E.;Bououdina, M.;
7:4:23:11 Dielectric, ferromagnetic and maganetoelectric properties of BaTiO3-Ni0.7Zn0.3Fe2O4 composite ceramics
DOI:10.1016/j.materresbull.2013.06.026 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:5 AU: Zhang, Rong-Fen;Deng, Chao-Yong;Ren, Li;Li, Zheng;Zhou, Jian-Ping;
7:4:23:12 Initial permeability of percolative PbTiO3/NiFe2O4 composite ceramics by a sol-gel in situ process
DOI:10.1039/c0jm01506g JN:JOURNAL OF MATERIALS CHEMISTRY PY:2010 TC:11 AU: Zhang, Xuhui;Zhu, Lu;Dong, Yanling;Weng, Wenjian;Han, Gaorong;Ma, Ning;Du, Piyi;
7:4:23:13 Ferroelectric/ferrimagnetic composite ceramics with depressed interfacial reaction and low dielectric loss
DOI:10.1063/1.4899080 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Zheng, Hui;Weng, Wenjian;Han, Gaorong;Du, Piyi;
7:4:23:14 Low-temperature sintering and properties of Bi4Ti3O12/Ni0.37Cu0.20Zn0.43Fe1.92O3.88 composites
DOI:10.1016/j.jallcom.2012.11.056 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:1 AU: Yang, Haibo;Yang, Yanyan;Lu, Ling;Lin, Ying;
7:4:23:15 Ferroelectric/ferromagnetic ceramic composite and its hybrid permittivity stemming from hopping charge and conductivity inhomogeneity
DOI:10.1063/1.4781100 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:13 AU: Zheng, Hui;Li, Lu;Xu, Zhaojun;Weng, Wenjian;Han, Gaorong;Ma, Ning;Du, Piyi;
7:4:23:16 Ferroelectric, Ferromagnetic, and Magnetoelectric Properties of Multiferroic Ni0.5Zn0.5Fe2O4-BaTiO3 Composite Ceramics
DOI:10.1007/s11664-013-2904-5 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2014 TC:0 AU: Zhang, Rong-Fen;Deng, Chao-Yong;Ren, Li;Li, Zheng;Zhou, Jian-Ping;
7:4:23:17 Ferroelectric/ferrimagnetic composite ceramics with depressed interfacial reaction and low dielectric loss (vol 105, 162902, 2014)
DOI:10.1063/1.4902029 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Zheng, Hui;Weng, Wenjian;Han, Gaorong;Du, Piyi;
7:4:23:18 Bi4Ti3O12-(Ni0.5Zn0.5)Fe2O4 dielectric-ferromagnetic ceramic composites synthesized with nanopowders
DOI:10.1016/j.matchemphys.2010.06.016 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2010 TC:3 AU: Guo, Yiping;Feng, Sha;Wang, Neng;Wang, Boyuan;Gu, Mingyuan;
7:4:24:1 Quasi-one-dimensional miniature multiferroic magnetic field sensor with high sensitivity at zero bias field
DOI:10.1063/1.3617434 JN:APPLIED PHYSICS LETTERS PY:2011 TC:21 AU: Chen, Yajie;Gillette, Scott M.;Fitchorov, Trifon;Jiang, Liping;Hao, Hongbo;Li, Jiheng;Gao, Xuexu;Geiler, Anton;Vittoria, C.;Harris, V. G.;
7:4:24:2 Electrically controlled magnetization switching in a multiferroic heterostructure
DOI:10.1063/1.3475417 JN:APPLIED PHYSICS LETTERS PY:2010 TC:31 AU: Chen, Yajie;Fitchorov, Trifon;Vittoria, Carmine;Harris, V. G.;
7:4:24:3 Multiferroic heterostructure fringe field tuning of meander line microstrip ferrite phase shifter
DOI:10.1063/1.3309592 JN:APPLIED PHYSICS LETTERS PY:2010 TC:25 AU: Geiler, A. L.;Gillette, S. M.;Chen, Y.;Wang, J.;Chen, Z.;Yoon, S. D.;He, P.;Gao, J.;Vittoria, C.;Harris, V. G.;
7:4:24:4 Epitaxial growth of Pb(Zr0.53Ti0.47)O-3 films on Pt coated magnetostrictive amorphous metallic substrates toward next generation multiferroic heterostructures
DOI:10.1063/1.3697605 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Hu, B.;Chen, Y.;Yang, A.;Gillette, S.;Fitchorov, T.;Geiler, A.;Daigle, A.;Su, X. D.;Wang, Z.;Viehland, D.;Harris, V. G.;
7:4:24:5 Microwave magnetoelectric coupling and ferromagnetic resonance frequency tuning of a Co2MnSb/GaAs/PZN-PT heterostructure
DOI:10.1103/PhysRevB.83.104406 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Chen, Yajie;Yang, Aria;Paudel, Moti R.;Stadler, Shane;Vittoria, C.;Harris, V. G.;
7:4:24:6 Tunable fringe magnetic fields induced by converse magnetoelectric coupling in a FeGa/PMN-PT multiferroic heterostructure
DOI:10.1063/1.3672822 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:7 AU: Fitchorov, Trifon;Chen, Yajie;Hu, Bolin;Gillette, Scott M.;Geiler, Anton;Vittoria, Carmine;Harris, Vincent G.;
7:4:24:7 Electronic tuning of magnetic permeability in Co(2)Z hexaferrite toward high frequency electromagnetic device miniaturization
DOI:10.1063/1.3590771 JN:APPLIED PHYSICS LETTERS PY:2011 TC:10 AU: Chen, Yajie;Daigle, Andrew;Fitchorov, Trifon;Hu, Bolin;Geiler, Michael;Geiler, Anton;Vittoria, C.;Harris, V. G.;
7:4:24:8 Dynamic response of converse magnetoelectric effect in a PMN-PT-based multiferroic heterostructure
DOI:10.1007/s00339-010-5726-9 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:11 AU: Chen, Yajie;Fitchorov, Trifon;Geiler, Anton L.;Gao, Jinsheng;Vittoria, Carmine;Harris, Vincent G.;
7:4:24:9 Thermally driven large magnetoresistance and magneto striction in multifunctional magnetic FeGa-Tb alloys
DOI:10.1016/j.actamat.2014.03.053 JN:ACTA MATERIALIA PY:2014 TC:2 AU: Fitchorov, Trifon I.;Bennett, Steven;Jiang, Liping;Zhang, Guangrui;Zhao, Zengqi;Chen, Yajie;Harris, Vincent G.;
7:4:24:10 Piezoelectric properties of epitaxial Pb(Zr-0.525, Ti-0.475)O-3 films on amorphous magnetic metal substrates
DOI:10.1063/1.3677864 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Hu, B.;Chen, Y.;Yang, A.;Gillete, S.;Fitchorov, Trifon;Geiler, A.;Daigle, A.;Su, X. D.;Wang, Z.;Viehland, D.;Vittoria, C.;Harris, V. G.;
7:4:24:11 Effects of intrinsic magnetostriction on tube-topology magnetoelectric sensors with high magnetic field sensitivity
DOI:10.1063/1.4868326 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Gillette, Scott M.;Fitchorov, Trifon;Obi, Ogheneyunume;Jiang, Liping;Hao, Hongbo;Wu, Shuangxia;Chen, Yajie;Harris, Vincent G.;
7:4:24:12 Giant enhancement in the magnetostrictive effect of FeGa alloys doped with low levels of terbium
DOI:10.1063/1.4809829 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Jiang, Liping;Yang, Jiandong;Hao, Hongbo;Zhang, Guangrui;Wu, Shuangxia;Chen, Yajie;Obi, Ogheneyunume;Fitchorov, Trifon;Harris, Vincent G.;
7:4:24:13 Dynamic state switching in nonlinear multiferroic cantilevers
DOI:10.1063/1.4738991 JN:APPLIED PHYSICS LETTERS PY:2012 TC:0 AU: Onuta, Tiberiu-Dan;Wang, Yi;Long, Christian J.;Lofland, Samuel E.;Takeuchi, Ichiro;
7:4:24:14 Temperature dependence of the magnetostriction of stress annealed Galfenol measured under tension
DOI:10.1063/1.3357401 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:2 AU: Restorff, J. B.;Wun-Fogle, M.;
7:4:24:15 Active tuning of a microstrip hairpin-line microwave bandpass filter on a polycrystalline yttrium iron garnet substrate using small magnetic fields
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7:4:24:16 Effect of heat treatment on the properties of Metglas foils, and laminated magnetoelectric composites made thereof
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7:4:29:5 External stress enhanced magnetoelectric coupling in multiferroic heterostructures
DOI:10.1063/1.4769432 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:8 AU: Bai, G.;Gong, X.;Liu, Z. G.;Xia, Y. D.;Yin, J.;
7:4:29:6 Effect of out-of-plane misfit strain on phase diagrams and ferroelectric properties of ferroelectric films in vertical nanocomposite structures
DOI:10.1007/s00339-012-7503-4 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:3 AU: Wu, Huaping;Chai, Guozhong;Xu, Bin;Li, Jiquan;Zhang, Zheng;
7:4:29:7 Enhancement of Ferroelectric Curie Temperature in BaTiO3 Films via Strain-Induced Defect Dipole Alignment
DOI:10.1002/adma.201400254 JN:ADVANCED MATERIALS PY:2014 TC:4 AU: Damodaran, Anoop R.;Breckenfeld, Eric;Chen, Zuhuang;Lee, Sungki;Martin, Lane W.;
7:4:29:8 Ferroelectric-ferromagnetic multilayers: A magnetoelectric heterostructure with high output charge signal
DOI:10.1063/1.4896189 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Prokhorenko, S.;Kohlstedt, H.;Pertsev, N. A.;
7:4:29:9 Strain-mediated magnetoelectric coupling in magnetostrictive/piezoelectric heterostructures and resulting high-frequency effects
DOI:10.1103/PhysRevB.83.224420 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Livesey, K. L.;
7:4:29:10 Giant direct magnetoelectric effect in strained multiferroic heterostructures
DOI:10.1103/PhysRevB.85.140401 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Janolin, Pierre-Eymeric;Pertsev, Nikolay A.;Sichuga, David;Bellaiche, L.;
7:4:29:11 Free-standing ferroelectric multilayers: Crossover from thin-film to bulk behavior
DOI:10.1063/1.3647585 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Prokhorenko, S.;Pertsev, N. A.;
7:4:29:12 Effect of interfacial Cr on magnetoelectricity of Fe-2/CrO2/BaTiO3(001)
DOI:10.1103/PhysRevB.81.214428 JN:PHYSICAL REVIEW B PY:2010 TC:2 AU: Hoelzer, M.;Fechner, M.;Ostanin, S.;Mertig, I.;
7:4:29:13 Tuned dielectric, pyroelectric and piezoelectric properties of ferroelectric P(VDF-TrFE) thin films by using mechanical loads
DOI:10.1063/1.3685750 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:6 AU: Bai, G.;Li, R.;Liu, Z. G.;Xia, Y. D.;Yin, J.;
7:4:30:1 The influence of low-level pre-stressing on resonant magnetoelectric coupling in Terfenol-D/PZT/Terfenol-D laminated composite structure
DOI:10.1063/1.4876721 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:3 AU: Chen, Zhengxin;Su, Yu;
7:4:30:2 Modeling of magnetoelectric effects in flexural nanobilayers: The effects of surface stress
DOI:10.1063/1.4795167 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Hao, Feng;Fang, Daining;
7:4:30:3 The effects of interface misfit strain and surface tension on magnetoelectric effects in layered magnetostrictive-piezoelectric composites
DOI:10.1063/1.4816693 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:7 AU: Hao, Feng;Pei, Yongmao;Fang, Daining;
7:4:30:4 Static magnetoelectric coupling of magnetoelectric laminated composites under combined temperature and stress loadings
DOI:10.1063/1.4866688 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:5 AU: Zhou, Hao-Miao;Cui, Xiao-Le;
7:4:30:5 Nonlinear magnetoelectric effect in PZT/Terfenol-D nanobilayer on a substrate with surface stress
DOI:10.1063/1.4887435 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Shi, Yang;Niu, Longfei;Gao, Yuanwen;
7:4:30:6 Numerical simulation of nonlinear magnetic-mechanical-electric coupling effect in laminated magnetoelectric composites
DOI:10.1016/j.jmmm.2011.06.018 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:12 AU: Zhou, Hao-Miao;Xuan, Li-Ming;Li, Chao;Wei, Jing;
7:4:30:7 A four-state magnetoelectric coupling for embedded piezoelectric/magnetic composites
DOI:10.1063/1.3653293 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Fang, F.;Xu, Y. T.;Zhu, W. P.;Yang, W.;
7:4:30:8 Magnetoelectric coupling of laminated composites under combined thermal and magnetic loadings
DOI:10.1063/1.3677945 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:12 AU: Fang, F.;Xu, Y. T.;Yang, W.;
7:4:30:9 A nonlinear magnetoelectric model for magnetoelectric layered composite with coupling stress
DOI:10.1016/j.jmmm.2014.02.028 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:3 AU: Shi, Yang;Gao, Yuanwen;
7:4:30:10 A dual-peak phenomenon of magnetoelectric coupling in laminated Terfenol-D/PZT/Terfenol-D composites
DOI:10.1088/0964-1726/19/12/125004 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:12 AU: Zhao, C. P.;Fang, F.;Yang, W.;
7:4:30:11 Equivalent circuit method research of resonant magnetoelectric characteristic in magnetoelectric laminate composites using nonlinear magnetostrictive constitutive model
DOI:10.1088/0964-1726/20/3/035001 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:18 AU: Zhou, Hao-Miao;Li, Chao;Xuan, Li-Ming;Wei, Jing;Zhao, Ji-Xiang;
7:4:30:12 A multipeak phenomenon of magnetoelectric coupling in Terfenol-D/P(VDF-TrFE)/Terfenol-D laminates
DOI:10.1063/1.3511747 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:7 AU: Fang, F.;Shan, S. C.;Yang, W.;
7:4:30:13 Influence of mechanical load bias on converse magnetoelectric laminate composites
DOI:10.1063/1.3362919 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:8 AU: Wu, Tao;Emmons, Michael;Chung, Tien-Kan;Sorge, Jian;Carman, Gregory P.;
7:4:30:14 Enhanced magnetoelectric effect for flexible current sensor applications
DOI:10.1063/1.4876910 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:3 AU: Le, Minh-Quyen;Belhora, Fouad;Cornogolub, Alexandru;Cottinet, Pierre-Jean;Lebrun, Laurent;Hajjaji, Abdelouahed;
7:4:30:15 Direct and inverse magnetoelectric effect in layered composites in electromechanical resonance range: A review
DOI:10.1016/j.jmmm.2012.02.086 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:12 AU: Bichurin, M. I.;Petrov, V. M.;Petrov, R. V.;
7:4:31:1 Interfacial magnetoelectric coupling in tricomponent superlattices
DOI:10.1103/PhysRevB.81.144425 JN:PHYSICAL REVIEW B PY:2010 TC:28 AU: Lee, Jaekwang;Sai, Na;Cai, Tianyi;Niu, Qian;Demkov, Alexander A.;
7:4:31:2 Prediction of giant magnetoelectric effect in LaMnO3/BaTiO3/SrMnO3 superlattice: The role of n-type SrMnO3/LaMnO3 interface
DOI:10.1063/1.4893370 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Chen, L. Y.;Chen, C. L.;Jin, K. X.;Wu, T.;
7:4:31:3 Magnetoelectric coupling in a ferroelectric/ferromagnetic chain revealed by ferromagnetic resonance
DOI:10.1063/1.4772746 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:10 AU: Sukhov, A.;Horley, P. P.;Jia, C. -L.;Berakdar, J.;
7:4:31:4 Enhancement of magnetoelectric effect by combining different interfacial coupling mechanisms
DOI:10.1063/1.4719972 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:11 AU: Dai, Jian-Qing;Song, Yu-Min;Zhang, Hu;
7:4:31:5 Favorable magnetoelectric phenomenon in Co2MnSi/PbTiO3 (001) ultrathin bilayer: A density functional theory study
DOI:10.1063/1.4824369 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Chen, L. Y.;Chen, C. L.;Jin, K. X.;Du, X. J.;Ali, A.;
7:4:31:6 Influence of magnetoelectric coupling on electric field induced magnetization reversal in a composite unstrained multiferroic chain
DOI:10.1103/PhysRevB.85.054401 JN:PHYSICAL REVIEW B PY:2012 TC:10 AU: Horley, Paul P.;Sukhov, Alexander;Jia, Chenglong;Martinez, Eduardo;Berakdar, Jamal;
7:4:31:7 Large positive spin polarization and giant inverse tunneling magnetoresistance in Fe/PbTiO3/Fe multiferroic tunnel junction
DOI:10.1016/j.jmmm.2013.09.048 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:1 AU: Dai, Jian-Qing;Zhang, Hu;Song, Min;
7:4:31:8 Ferromagnetic resonance shifts from electric fields: Field-enhanced screening charge in ferromagnet/ferroelectric multilayers
DOI:10.1103/PhysRevB.85.104411 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Gunawan, V.;Stamps, R. L.;
7:4:31:9 Large magnetoelectric coupling in ferromagnetic/ferroelectric superlattices with asymetric interfaces
DOI:10.1016/j.jmmm.2013.11.029 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:1 AU: Dai, Jian-Qing;Song, Yu-Min;Zhang, Hu;
7:4:31:10 Interfacial electronic structure and magnetoelectric effect in M/BaTiO3 (M=Ni, Fe) superlattices
DOI:10.1016/j.jmmm.2012.06.046 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:7 AU: Dai, Jian-Qing;Zhang, Hu;Song, Yu-Min;
7:4:31:11 Uniaxial strain-modulated conductivity in manganite superlattice (LaMnO3/SrMnO3)
DOI:10.1063/1.3548675 JN:APPLIED PHYSICS LETTERS PY:2011 TC:4 AU: Cao, Dan;Cai, Meng-Qiu;Hu, Wang-Yu;Peng, Jun;Zheng, Yue;Huang, Hai-Tao;
7:4:31:12 Complex domain structure in relaxed PbTiO3 thick films grown on (100)(c)SrRuO3//(100)SrTiO3 substrates
DOI:10.1063/1.4746078 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Yasui, Shintaro;Ehara, Yoshitaka;Utsugi, Satoru;Nakajima, Mitsumasa;Funakubo, Hiroshi;Gruverman, Alexei;
7:4:31:13 Room-temperature magnetoelectric properties of Fe doped BaZr0.05Ti0.95O3
DOI:10.1063/1.4795425 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Kumari, Mukesh;Prakash, Chandra;Chatterjee, Ratnamala;
7:4:31:14 Strong coupling of Jahn-Teller distortion to oxygen-octahedron rotation and functional properties in epitaxially strained orthorhombic LaMnO3
DOI:10.1103/PhysRevB.88.174426 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:4:32:1 Effect of rare earth substitution on properties of barium strontium titanate ceramic and its multiferroic composite with nickel cobalt ferrite
DOI:10.1016/j.jallcom.2014.07.204 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Pahuja, Poonam;Kotnala, R. K.;Tandon, R. P.;
7:4:32:2 Synthesis and characterization of Ni0.8Co0.2Fe2O4-Ba0.95ST0.05TiO3 multiferroic composites
DOI:10.1016/j.ceramint.2013.05.061 JN:CERAMICS INTERNATIONAL PY:2013 TC:6 AU: Pahuja, Poonam;Sharma, Richa;Prakash, Chandra;Tandon, R. P.;
7:4:32:3 Comparative study of magnetoelectric composite system Ba0.95Sr0.05TiO3-Ni0.8Co0.2Fe2O4 with ferrite prepared by different methods
DOI:10.1016/j.ceramint.2013.11.012 JN:CERAMICS INTERNATIONAL PY:2014 TC:2 AU: Pahuja, Poonam;Prakash, Chandra;Tandon, R. P.;
7:4:32:4 Large remanent polarization in multiferroic NdFeO3-PbTiO3 thin film
DOI:10.1063/1.4819386 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Zhao, Hanqing;Peng, Xin;Zhang, Linxing;Chen, Jun;Yan, Wensheng;Xing, Xianran;
7:4:32:5 Magnetic and magnetoelectric properties of nickel ferrite lead iron niobate relaxor composites
DOI:10.1016/j.jeurceramsoc.2011.10.035 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:15 AU: Guzdek, P.;Sikora, M.;Gora, L.;Kapusta, Cz.;
7:4:32:6 Magnetic field induced polarization and magnetoelectric effect of Ba0.8Ca0.2TiO3-Ni0.2Cu0.3Zn0.5Fe2O4 nanomultiferroic
DOI:10.1063/1.4795820 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Sadhana, Katlakunta;Murthy, Sarabu Ramana;Jie, Shang;Xie, Yali;Liu, Yiwei;Zhan, Qingfeng;Li, Run-Wei;
7:4:32:7 Optimal multiferroic properties and enhanced magnetoelectric coupling in SmFeO3-PbTiO3 solid solutions
DOI:10.1063/1.3380596 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:6 AU: Singh, Anupinder;Choudhary, Ishan;Mehta, Sunita;Dahiya, Sajjan;Walia, Chitsimranjit Singh;Raina, K. K.;Chatterjee, Ratnamala;
7:4:32:8 Magnetoelectric effect in composite structures based on ferroelectric-ferromagnetic perovskites
DOI:10.1016/j.jeurceramsoc.2009.05.043 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:12 AU: Solopan, S. A.;V'yunov, O. I.;Belous, A. G.;Tovstolytkin, A. I.;Kovalenko, L. L.;
7:4:32:9 The magnetostrictive and magnetoelectric characterization of Ni0.3Zn0.62Cu0.08Fe2O4-Pb(FeNb)(0.5)O-3 laminated composite
DOI:10.1016/j.jmmm.2013.08.064 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:8 AU: Guzdek, P.;
7:4:32:10 Studies of dielectric properties of rare earth (Dy, Tb, Eu) doped barium titanate sintered in pure nitrogen
DOI:10.1016/j.ceramint.2011.04.042 JN:CERAMICS INTERNATIONAL PY:2012 TC:7 AU: Li, Yan-Xia;Yao, Xi;Wang, Xu-Sheng;Hao, Ying-Bin;
7:4:32:11 Ac electrical conductivity and magnetic properties of BiFeO3-CoFe2O4 nanocomposites
DOI:10.1016/j.jallcom.2014.02.024 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:4 AU: Sharma, H. B.;Devi, K. Nomita;Gupta, V.;Lee, J. H.;Singh, S. Bobby;
7:4:32:12 Absence of morphotropic phase boundary effects in BiFeO3-PbTiO3 thin films grown via a chemical multilayer deposition method
DOI:10.1007/s00339-010-6163-5 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2011 TC:6 AU: Gupta, Shashaank;Bhattacharjee, Shuvrajyoti;Pandey, Dhananjai;Bansal, Vipul;Bhargava, Suresh K.;Peng, Ju Lin;Garg, Ashish;
7:4:32:13 Effect of CoFe2O4 mole percentage on multiferroic and magnetoelectric properties of Na0.5Bi0.5TiO3/CoFe2O4 particulate composites
DOI:10.1016/j.ceramint.2013.12.123 JN:CERAMICS INTERNATIONAL PY:2014 TC:3 AU: Krishnaiah, R. V.;Srinivas, A.;Kamat, S. V.;Karthik, T.;Asthana, Saket;
7:4:32:14 NiZnCu ferrite applied for LTCC microinductor
DOI:10.1016/j.jmmm.2010.05.001 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:7 AU: Guzdek, P.;Kulawik, J.;Zaraska, K.;Bienkowski, A.;
7:4:32:15 Structural, electrical, magnetic and dielectric properties of rare-earth substituted cobalt ferrites nanoparticles synthesized by the co-precipitation method
DOI:10.1016/j.jmmm.2013.11.052 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:20 AU: Nikumbh, A. K.;Pawar, R. A.;Nighot, D. V.;Gugale, G. S.;Sangale, M. D.;Khanvilkar, M. B.;Nagawade, A. V.;
7:4:32:16 Anomalous electrical transport properties of nonstoichiometric nickel ferrite below room temperature
DOI:10.1016/j.materresbull.2011.03.007 JN:MATERIALS RESEARCH BULLETIN PY:2011 TC:4 AU: Ghatak, S.;Sinha, M.;Meikap, A. K.;Pradhan, S. K.;
7:4:33:1 Imaging and Control of Surface Magnetization Domains in a Magnetoelectric Antiferromagnet
DOI:10.1103/PhysRevLett.106.087202 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:18 AU: Wu, Ning;He, Xi;Wysocki, Aleksander L.;Lanke, Uday;Komesu, Takashi;Belashchenko, Kirill D.;Binek, Christian;Dowben, Peter A.;
7:4:33:2 Equilibrium Magnetization at the Boundary of a Magnetoelectric Antiferromagnet
DOI:10.1103/PhysRevLett.105.147204 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:18 AU: Belashchenko, K. D.;
7:4:33:3 Electric Control of Exchange Bias Training
DOI:10.1103/PhysRevLett.111.187204 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:4 AU: Echtenkamp, W.;Binek, Ch.;
7:4:33:4 Scaling of the Magnetoelectric Effect in Chromia Thin Films
DOI:10.1080/00150193.2012.671113 JN:FERROELECTRICS PY:2012 TC:7 AU: He, X.;Echtenkamp, W.;Binek, Ch.;
7:4:33:5 Increasing the Neel temperature of magnetoelectric chromia for voltage-controlled spintronics
DOI:10.1063/1.4880938 JN:APPLIED PHYSICS LETTERS PY:2014 TC:3 AU: Street, M.;Echtenkamp, W.;Komesu, Takashi;Cao, Shi;Dowben, P. A.;Binek, Ch.;
7:4:33:6 Positive exchange bias observed in Pt-inserted Cr2O3/Co exchange coupled bilayers
DOI:10.1063/1.4902828 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Nozaki, T.;Oida, M.;Ashida, T.;Shimomura, N.;Shibata, T.;Sahashi, M.;
7:4:33:7 Giant temperature dependence of the spin reversal field in magnetoelectric chromia
DOI:10.1063/1.4861780 JN:APPLIED PHYSICS LETTERS PY:2014 TC:6 AU: Fallarino, Lorenzo;Berger, Andreas;Binek, Christian;
7:4:33:8 Effect of substitutional doping on the Neel temperature of Cr2O3
DOI:10.1103/PhysRevB.87.054435 JN:PHYSICAL REVIEW B PY:2013 TC:5 AU: Mu, Sai;Wysocki, A. L.;Belashchenko, K. D.;
7:4:33:9 Observation of magnetoelectric effect in Cr2O3/Pt/Co thin film system
DOI:10.1063/1.4871515 JN:APPLIED PHYSICS LETTERS PY:2014 TC:4 AU: Ashida, T.;Oida, M.;Shimomura, N.;Nozaki, T.;Shibata, T.;Sahashi, M.;
7:4:33:10 Microscopic origin of the structural phase transitions at the Cr2O3 (0001) surface
DOI:10.1103/PhysRevB.86.165443 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Wysocki, A. L.;Shi, Siqi;Belashchenko, K. D.;
7:4:33:11 Isothermal switching of perpendicular exchange bias by pulsed high magnetic field
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7:4:33:12 Exchange bias and ferromagnetic coercivity in heterostructures with antiferromagnetic Cr2O3
DOI:10.1063/1.3621460 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Borisov, P.;Kleemann, W.;
7:4:33:13 Anomalous temperature dependence of training effect in specular spin valve using ultrathin Cr2O3-nano-oxide layer with magnetoelectric effect
DOI:10.1063/1.3340512 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Sawada, Kazuya;Shimomura, Naoki;Doi, Masaaki;Sahashi, Masashi;
7:4:33:14 Effect of the Pt buffer layer on perpendicular exchange bias based on collinear/non-collinear coupling in a Cr2O3/Co3Pt interface
DOI:10.1063/1.4797472 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Ashida, T.;Sato, Y.;Nozaki, T.;Sahashi, M.;
7:4:33:15 Demonstration of magnetoelectric effect in ultrathin Cr2O3/Fe2O3 nano-oxide layer by training effect
DOI:10.1063/1.4731274 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Shimomura, Naoki;Sawada, Kazuya;Nozaki, Tomohiro;Doi, Masaaki;Sahashi, Masashi;
7:4:33:16 Equilibrium Magnetization at the Boundary of a Magnetoelectric Antiferromagnet (vol 105, 147204, 2010)
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7:4:34:1 Magnetoelectric effect of (1-x) Ba0.5Sr0.5Zr0.5Ti0.5O3+(x) Ni0.12Mg0.18Cu0.2Zn0.5Fe2O4 composites
DOI:10.1016/j.jmmm.2014.07.025 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:4 AU: Rahaman, Md. D.;Saha, S. K.;Ahmed, T. N.;Saha, D. K.;Hossain, A. K. M. Akther;
7:4:34:2 Impedance spectroscopic characterization of fine-grained magnetoelectric Pb(Zr0.53Ti0.47)O-3-(Ni0.5Zn0.5)Fe2O4 ceramic composites
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7:4:34:3 Composition dependent electrical, dielectric, magnetic and magnetoelectric properties of (x)Co0.5Zn0.5Fe2O4 + (1-x)PLZT composites
DOI:10.1016/j.jallcom.2009.12.164 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:19 AU: Fawzi, Abdul Samee;Sheikh, A. D.;Mathe, V. L.;
7:4:34:4 Microstructure and properties of sol-gel derived PbTiO3/NiFe2O4 multiferroic composite thin film with the two nano-crystalline phases dispersed homogeneously
DOI:10.1016/j.jallcom.2010.05.025 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:12 AU: Zhu, Lu;Dong, Yanling;Zhang, Xuhui;Yao, Yiying;Weng, Wenjian;Han, Gaorong;Ma, Ning;Du, Piyi;
7:4:34:5 Impedance spectroscopy and conductivity mechanism of CoFe2O4-Pb(Zr0.53Ti0.47)O-3 composite thick films
DOI:10.1016/j.jallcom.2010.08.029 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:8 AU: Chen, W.;Zhu, W.;Ke, C.;Yang, Z.;Wang, L.;Chen, X. F.;Tan, O. K.;
7:4:34:6 Structure and electrical properties of BiFeO3 thin films grown on LaNiO3 electrode by chemical solution deposition
DOI:10.1016/j.jallcom.2010.03.192 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:10 AU: Zhang, Hailei;Chen, Xinman;Wang, Tao;Wang, Feifei;Shi, Wangzhou;
7:4:34:7 Electrical and magnetic properties of low-temperature sintered xBa(0.6)Sr(0.4)TiO(3) + (1-x)Nia(0.2)Cu(0.2)Zn(0.62)O(Fe2O3)(0.98) composite ceramics
DOI:10.1016/j.jallcom.2010.01.029 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:9 AU: Su, Li-na;Liu, Peng;He, Ying;Zhou, Jian-ping;Cao, Lei;Liu, Cheng;Zhang, Huai-wu;
7:4:34:8 Structural, electrical, magnetic and magnetoelectric properties of composites
DOI:10.1016/j.jmmm.2013.06.001 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:3 AU: Rani, Renu;Juneja, J. K.;Singh, Sangeeta;Prakash, Chandra;Raina, K. K.;
7:4:34:9 Dielectric properties of Zr substituted BST ceramics
DOI:10.1016/j.ceramint.2011.03.080 JN:CERAMICS INTERNATIONAL PY:2011 TC:7 AU: Rani, Renu;Singh, Sangeeta;Juneja, J. K.;Raina, K. K.;Prakash, Chandra;
7:4:34:10 Electrical and magnetic properties of NiCuZn-CaCu3Ti4O12 composites doped with Bi2O3
DOI:10.1016/j.jallcom.2010.06.001 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:3 AU: He, Ying;Zhang, Huaiwu;Wang, Yunyan;Ling, Weiwei;Mu, Chunhong;Bai, Feiming;Liu, Peng;
7:4:34:11 Preparation and characterization of BaTiO3+MgCuZnFe2O4 nanocomposites
DOI:10.1016/j.jmmm.2013.04.037 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:2 AU: Kanakadurga, M.;Raju, P.;Murthy, S. R.;
7:4:34:12 Magnetic properties of xNi(0.53)Cu(0.12)Zn(0.35)Fe(1.88)O(4)+(1-x)BaTiO3 nanocomposites
DOI:10.1016/j.jmmm.2010.06.007 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:3 AU: Sadhana, K.;Praveena, K.;Murthy, S. R.;
7:4:34:13 Dielectric and Ferroelectric Properties of BST and Ni-Zn Ferrite Composites
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7:4:34:14 Dielectric and magnetic properties of 0.4PZT+0.6NiCuZn-ferrite composites modified with P2O5-Co2O3
DOI:10.1063/1.3360197 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:1 AU: Jia, Lijun;Zhang, Huaiwu;Li, Tao;Liu, Yingli;Wen, Qiye;Shen, Jian;
7:4:34:15 Dielectric and magnetoelectric properties of Li0.5Ni0.75-x/2Znx/2Fe2O4 + Ba0.5Sr0.5TiO3 ME composites
DOI:10.1016/j.matchemphys.2011.08.069 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:4 AU: Durgadsimi, S. U.;Chougule, S. S.;Chougule, B. K.;Bhosale, C. H.;Bellad, S. S.;
7:4:35:1 Large converse magnetoelectric effect in Metglas FeCoBSi and 0.7Pb(Mg1/3Nb2/3)O-3-0.3PbTiO(3) laminated composite
DOI:10.1063/1.3549871 JN:APPLIED PHYSICS LETTERS PY:2011 TC:15 AU: Xuan, H. C.;Wang, L. Y.;Ma, S. C.;Zheng, Y. X.;Cao, Q. Q.;Wang, D. H.;Du, Y. W.;
7:4:35:2 Electric field control of magnetism without magnetic bias field in the Ni/Pb(Mg1/3Nb2/3)O-3-PbTiO3/Ni composite
DOI:10.1063/1.3616137 JN:APPLIED PHYSICS LETTERS PY:2011 TC:9 AU: Xuan, H. C.;Wang, L. Y.;Zheng, Y. X.;Li, Y. L.;Cao, Q. Q.;Chen, S. Y.;Wang, D. H.;Huang, Z. G.;Du, Y. W.;
7:4:35:3 Electric field control of magnetic properties in CoPt/Pb(Mg1/3Nb2/3)O-3-PbTiO3 heterostructure at room temperature
DOI:10.1063/1.4819459 JN:APPLIED PHYSICS LETTERS PY:2013 TC:9 AU: Yang, Y. T.;Zhang, Q. M.;Wang, D. H.;Song, Y. Q.;Wang, L. Y.;Lv, L. Y.;Cao, Q. Q.;Du, Y. W.;
7:4:35:4 Electric-field control of magnetic anisotropy in Fe81Ga19/BaTiO3 heterostructure films
DOI:10.1063/1.4901911 JN:AIP ADVANCES PY:2014 TC:2 AU: Xie, Yali;Zhan, Qingfeng;Liu, Yiwei;Dai, Guohong;Yang, Huali;Zuo, Zhenghu;Chen, Bin;Wang, Baomin;Zhang, Yao;Rong, Xin;Li, Run-Wei;
7:4:35:5 Electric-field-assisted magnetization switching in FePd/Pb(Mg1/3Nb2/3)O-3-PbTiO3 heterostructure at room temperature
DOI:10.1063/1.4824542 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Yang, Y. T.;Wang, D. H.;Song, Y. Q.;Gao, J. L.;Lv, L. Y.;Cao, Q. Q.;Du, Y. W.;
7:4:35:6 Electric field control of magnetism in FePd/PMN-PT heterostructure for magnetoelectric memory devices
DOI:10.1063/1.4861618 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:5 AU: Yang, Y. T.;Song, Y. Q.;Wang, D. H.;Gao, J. L.;Lv, L. Y.;Cao, Q. Q.;Du, Y. W.;
7:4:35:7 Effect of phase transformation on the converse magnetoelectric properties of a heterostructure of Ni49.2Mn29.6Ga21.2 and 0.7PbMg(1/3)Nb(2/3)O(3)-0.3PbTiO(3) crystals
DOI:10.1063/1.3427388 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Zeng, M.;Or, Siu Wing;Chan, Helen Lai Wa;
7:4:35:8 Large converse magnetoelectric coupling effect at room temperature in CoPd/PMN-PT (001) heterostructure
DOI:10.1063/1.3531648 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Kim, Ju-Hyun;Ryu, Kwang-Su;Jeong, Jae-Woo;Shin, Sung-Chul;
7:4:35:9 Electric-field-controlled magnetic responses in Metglas and lead zirconate titanate laminated composite
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7:4:35:10 Effect of electric field on magneto-transport properties in La-2/3(Ca0.6Ba0.4)(1/3)MnO3/Pb(Zr0.52Ti0.48)O-3 laminated composite
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7:4:36:1 Reversible control of magnetic domains in a Tb0.3Dy0.7Fe2/Pt/PbZr0.56Ti0.44O3 thin film heterostructure deposited on Pt/TiO2/SiO2/Si substrate
DOI:10.1063/1.4880736 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: More-Chevalier, J.;Ferri, A.;Cibert, C.;Poullain, G.;Desfeux, R.;Bouregba, R.;
7:4:36:2 Influence of Stress and Orientation on Magnetoelectric Coupling of Pb(Zr,Ti)O-3-CoFe2O4 Bilayer Films
DOI:10.1111/j.1551-2916.2010.04195.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:20 AU: Li, Zheng;Gao, Ya;Yang, Bin;Lin, Yuanhua;Yu, Rong;Nan, Ce-Wan;
7:4:36:3 Room temperature magnetoelectric coupling in Zn1-xCoxO/BaTiO3 bilayer system
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7:4:36:4 Preparation and characterization of AlN/FeCoSiB magnetoelectric thin film composites
DOI:10.1016/j.ceramint.2013.02.019 JN:CERAMICS INTERNATIONAL PY:2013 TC:3 AU: Tong, Bei;Yang, Xiaofei;Guo, Zhe;Li, Kun;Ouyang, Jun;Lin, Gengqi;Chen, Shi;
7:4:36:5 Ultra-sensitive magnetoelectric microcantilever at a low frequency
DOI:10.1063/1.4764944 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Lee, Dong Gun;Kim, Sung Man;Yoo, Yong Kyung;Han, Jun Hyun;Chun, Dong Won;Kim, Yu-Chan;Kim, Jinseok;Hwang, Kyo Seon;Kim, Tae Song;Jo, Won Woo;Kim, Hyungsuk;Song, Seung-Ho;Lee, Jeong Hoon;
7:4:36:6 Local two-way magnetoelectric couplings in multiferroic composites via scanning probe microscopy
DOI:10.1063/1.3481459 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:10 AU: Xie, S. H.;Liu, Y. M.;Liu, X. Y.;Zhou, Q. F.;Shung, K. K.;Zhou, Y. C.;Li, J. Y.;
7:4:36:7 Design of magnetoelectric coupling in a self-assembled epitaxial nanocomposite via chemical interaction
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7:4:36:8 Fabrication and characterization of shape anisotropy AlN/FeCoSiB magnetoelectric composite films
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7:4:36:9 Magnetoelectric coupling of multilayered Pb(Zr0.52Ti0.48)O-3-CoFe2O4 film by piezoresponse force microscopy under magnetic field
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7:4:36:10 Magnetoelectric coupling in Tb0.3Dy0.7Fe2/Pt/PbZr0.56Ti0.44O3 thin films deposited on Pt/TiO2/SiO2/Si substrate
DOI:10.1063/1.4775764 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Cibert, C.;Zhu, J.;Poullain, G.;Bouregba, R.;More-Chevalier, J.;Pautrat, A.;
7:4:36:11 Piezoelectric and piezomagnetic force microscopies of multiferroic BiFeO3-LiMn2O4 heterostructures
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7:4:36:12 Inverse effect of magnetostriction in magnetoelectric laminates
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7:4:36:13 Magnetic properties of Terfenol-D film on a compliant substrate
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7:4:36:14 Atomic force microscopy-coupled microcoils for cellular-scale nuclear magnetic resonance spectroscopy
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7:4:37:1 Temperature dependence of magnetoelectric effect in Bi3.15Nd0.85Ti3O12-La0.7Ca0.3MnO3 multiferroic composite films buffered by a LaNiO3 layer
DOI:10.1039/c3tc32105c JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2014 TC:4 AU: Tang, Zhenhua;Xiong, Ying;Tang, Minghua;Xiao, Yongguang;Zhang, Wei;Yuan, Meiling;Ouyang, Jun;Zhoua, Yichun;
7:4:37:2 Enhanced magnetoelectric effect in La0.67Sr0.33MnO3/PbZr0.52Ti0.48O3 multiferroic nanocomposite films with a SrRuO3 buffer layer
DOI:10.1063/1.4803057 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Tang, Z. H.;Tang, M. H.;Lv, X. S.;Cai, H. Q.;Xiao, Y. G.;Cheng, C. P.;Zhou, Y. C.;He, J.;
7:4:37:3 Room temperature multiferroic effects in superlattice nanocapacitors
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7:4:37:4 Resonance Magnetoelectric Effect in NaNbO3-NiFe2O4 Composite
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7:4:37:5 Effect of electrode resistance on dielectric and transport properties of multiferroic superlattice: A Impedance spectroscopy study
DOI:10.1063/1.4746026 JN:AIP ADVANCES PY:2012 TC:6 AU: Dussan, Sandra;Kumar, Ashok;Scott, J. F.;Katiyar, Ram S.;
7:4:37:6 Magneto-Electric Properties of Multiferroic Pb(Zr0.52Ti0.48)O-3-NiFe2O4 Nanoceramic Composites
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7:4:37:7 Photoconductivity in BiFeO3/La0.7Sr0.3MnO3 heterostructure
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7:4:37:8 Dielectric and electrical conductivity studies of bulk lead (II) oxide (PbO)
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7:4:37:9 Effect of PbZr0.52Ti0.48O3 thin layer on structure, electronic and magnetic properties of La0.65Sr0.35MnO3 and La0.65Ca0.30MnO3 thin-films
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7:4:37:10 Effect of packing fraction on ferromagnetic resonance in NiFe2O4 nanocomposites
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7:4:38:1 Electrophoretic deposition of multiferroic BaTiO3/CoFe2O4 bilayer films
DOI:10.1016/j.matchemphys.2011.02.004 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:20 AU: Zhou, Dongxiang;Jian, Gang;Hu, Yunxiang;Zheng, Yanan;Gong, Shuping;Liu, Huan;
7:4:38:2 Electrophoretic deposition of multiferroic BiFeO3 sub-micrometric particles from stabilized suspensions
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7:4:38:3 Large magneto-electric effects in hexagonal La0.7Ba0.3MnO3-BaTiO3 solid solutions and magneto-electric coupling mechanism discussion
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7:4:38:4 Double Perovskite Sr2FeMoO6 Films Prepared by Electrophoretic Deposition
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7:4:38:5 First-principles calculations of the structural and dynamical properties of ferroelectric YMnO3
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7:4:39:1 Ferroelectric and dielectric properties of 0.62Pb(Mg1/3Nb2/3)O-3-0.38PbTiO(3) thin films on La0.6Sr0.4CoO3 buffered Si substrates
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7:4:39:6 Effects of Mg doping on multiferroic properties of bilayered Co1-xMgxFe2O4/PMN-PT composite thin films
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7:4:40:9 Wrinkles of magnetoelectric composite thin films bonded on compliant buffer-layers
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7:4:40:10 Electronic structure and magnetism of Fe-doped LiNbO3
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7:4:41:1 Electrical resistance load effect on magnetoelectric coupling of magnetostrictive/piezoelectric laminated composite
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7:4:41:3 Lead-free magnetoelectric laminated composite of Mn-doped Na0.5Bi0.5TiO3-BaTiO3 single crystal and Tb0.3Dy0.7Fe1.92 alloy
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7:4:41:8 Finite element modeling of magnetic field sensors based on nonlinear magnetoelectric effect
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7:4:41:9 Magnetoelectric sensor with miniature universal tunable bias magnetic circuit
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7:4:41:10 Research on a novel force sensor based on giant magnetostrictive material and its model
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7:4:45:3 Microstructures and electrical properties of Ba0.9Sr0.1Ti0.99Mn0.01O3 multilayers
DOI:10.1016/j.jallcom.2014.06.021 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:1 AU: Hong, Xuekun;Liu, Yushen;Zhang, Debao;Feng, Jinfu;Chu, Junhao;
7:4:45:4 Patterning of Epitaxial Perovskites from Micro and Nano Molded Stencil Masks
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7:4:45:5 Engineering 180 degrees ferroelectric domains in epitaxial PbTiO3 thin films by varying the thickness of the underlying (La,Sr)MnO3 layer
DOI:10.1063/1.4897144 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Jin, L.;Jia, C. L.;Vrejoiu, I.;
7:4:45:6 Influence of the interfacing with an electrically inhomogeneous bottom electrode on the ferroelectric properties of epitaxial PbTiO3
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7:4:45:7 Structural, magnetic and electrical properties of ferromagnetic/ferroelectric multilayers
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7:4:45:8 Nanoscale patterning of functional perovskite-type complex oxides by pulsed laser deposition through a nanostencil
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7:4:45:9 Hybrid garnet crystal growth for thin-disc lasing applications by multi-beam pulsed laser deposition
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7:4:46:1 Efficient magnetic hysteresis model for field and stress application in magnetostrictive Galfenol
DOI:10.1063/1.3318494 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:28 AU: Evans, P. G.;Dapino, M. J.;
7:4:46:2 Dependence of magnetic susceptibility on stress in textured polycrystalline Fe81.6Ga18.4 and Fe79.1Ga20.9 Galfenol alloys
DOI:10.1063/1.3280374 JN:APPLIED PHYSICS LETTERS PY:2010 TC:10 AU: Mahadevan, A.;Evans, P. G.;Dapino, M. J.;
7:4:46:3 Relationships between magnetization and dynamic stress for Galfenol rod alloy and its application in force sensor
DOI:10.1063/1.4795328 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Weng, Ling;Wang, Bowen;Dapino, M. J.;Sun, Ying;Wang, Li;Cui, Baozhi;
7:4:46:4 Major and minor stress-magnetization loops in textured polycrystalline Fe81.6Ga18.4 Galfenol
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7:4:46:5 Stress-dependent susceptibility of Galfenol and application to force sensing
DOI:10.1063/1.3486019 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:5 AU: Evans, P. G.;Dapino, M. J.;
7:4:46:6 Nonlinear finite element model for 3D Galfenol systems
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7:4:46:7 A nonlinear transient constitutive model with eddy current effects for giant magnetostrictive materials
DOI:10.1063/1.3524479 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:7 AU: Wang, Tian-Zhong;Zhou, You-He;
7:4:46:8 Fully coupled discrete energy-averaged model for Terfenol-D
DOI:10.1063/1.3687372 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Chakrabarti, S.;Dapino, M. J.;
7:4:46:9 Stress and magnetic field-dependent Young's modulus in single crystal iron-gallium alloys
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7:4:46:10 Hysteresis, d(33)(star) and d(33) of Fe81.6Ga18.4 textured polycrystals
DOI:10.1063/1.3554252 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Restorff, J. B.;Wun-Fogle, M.;Summers, Eric;
7:4:46:11 A three dimensional rate equation model for the dynamical sensing effect of magnetostrictive Galfenol
DOI:10.1063/1.3549630 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Weetman, Philip;Akhras, George;
7:4:46:12 Vector magnetic hysteresis modeling of stress annealed galfenol
DOI:10.1063/1.4798307 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Adly, A. A.;Davino, D.;Giustiniani, A.;Visone, C.;
7:4:46:13 Modeling a Galfenol based stress sensor capable of sensing up to three axial stresses
DOI:10.1063/1.4831666 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Weetman, Philip;Akhras, George;
7:4:46:14 Fully coupled, dynamic model of a magnetostrictive amorphous ribbon and its validation
DOI:10.1063/1.4861735 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Bergmair, Bernhard;Huber, Thomas;Bruckner, Florian;Vogler, Christoph;Fuger, Markus;Suess, Dieter;
7:4:46:15 A dynamic model for a displacement amplified magnetostrictive driver for active mounts
DOI:10.1088/0964-1726/19/5/055009 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:10 AU: Chakrabarti, Suryarghya;Dapino, Marcelo J.;
7:4:46:16 Modeling magnetostrictive material for high-speed tracking
DOI:10.1063/1.3560044 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Bottauscio, Oriano;Roccato, Paolo E.;Zucca, Mauro;
7:4:46:17 Effects of hysteresis losses on dynamic behavior of magnetostrictive actuators
DOI:10.1063/1.3656981 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Jin, Ke;Kou, Yong;Liang, Yirui;Zheng, Xiaojing;
7:4:47:1 Magnetic nanoparticles: recent advances in synthesis, self-assembly and applications
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7:4:47:2 Pattern transfer nanomanufacturing using magnetic recording for programmed nanoparticle assembly
DOI:10.1088/0957-4484/23/18/185304 JN:NANOTECHNOLOGY PY:2012 TC:12 AU: Henderson, J.;Shi, S.;Cakmaktepe, S.;Crawford, T. M.;
7:4:47:3 Assembly of magnetic nanoparticles into higher structures on patterned magnetic beads under the influence of magnetic field
DOI:10.1088/0957-4484/21/12/125603 JN:NANOTECHNOLOGY PY:2010 TC:13 AU: Ozdemir, Tugce;Sandal, Deniz;Culha, Mustafa;Sanyal, Amitav;Atay, Naz Zeynep;Bucak, Seyda;
7:4:47:4 Real time monitoring of superparamagnetic nanoparticle self-assembly on surfaces of magnetic recording media
DOI:10.1063/1.4864738 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Ye, L.;Qi, B.;Pearson, T.;Cordeau, Y.;Mefford, O. T.;Crawford, T. M.;
7:4:47:5 Cobalt nanoparticles doped emaraldine salt of polyaniline: A promising room temperature magnetic semiconductor
DOI:10.1016/j.jmmm.2010.08.022 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:5 AU: Hatamie, Shadie;Kulkarni, M. V.;Kulkarni, S. D.;Ningthoujam, R. S.;Vatsa, R. K.;Kale, S. N.;
7:4:47:6 Shape Induced Symmetry in Self-Assembled Mesocrystals of Iron Oxide Nanocubes (vol 11, pg 1651, 2011)
DOI:10.1021/nl201951d JN:NANO LETTERS PY:2011 TC:1 AU: Disch, Sabrina;Wetterskog, Erik;Hermann, Raphael P.;Salazar-Alvarez, German;Busch, Peter;Brueckel, Thomas;Bergstroem, Lennart;Kamali, Saeed;
7:4:47:7 Repeatability of magnetic-field driven self-assembly of magnetic nanoparticles
DOI:10.1063/1.3556770 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Henderson, J. R.;Crawford, T. M.;
7:4:47:8 Imaging magnetic flux lines with iron oxide nanoparticles using a "fossilized liquid assembly"
DOI:10.1039/c1sm05057e JN:SOFT MATTER PY:2011 TC:1 AU: Schmidt, Ryan;Benkoski, Jason;Cavicchi, Kevin;Karim, Alamgir;
7:4:48:1 Enhanced magnetoelectric properties in lead-free Ni0.83Co0.15Cu0.02Fe1.9O4-delta -Na0.5Bi0.5TiO3 composites by spark plasma sintering
DOI:10.1016/j.scriptamat.2014.03.004 JN:SCRIPTA MATERIALIA PY:2014 TC:5 AU: Mudinepalli, Venkata Ramana;Song, S. H.;Murty, B. S.;
7:4:48:2 Sol-gel derived nanocrystalline multiferroic BiFeO3 and R3+ (R=Er and Tm) doped therein: Magnetic phase transitions and enhancement of magnetic properties
DOI:10.1016/j.jmmm.2012.07.045 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:10 AU: Acharya, S.;Sutradhar, S.;Mandal, J.;Mukhopadhyay, K.;Deb, A. K.;Chakrabarti, P. K.;
7:4:48:3 Enhanced electric property and magneto-capacitance co-efficient co-related with modulated Raman spectroscopy of GaFeO3 in (GaFeO3)(0.50)(Ni0.40Zn0.40Cu0.20Fe2O4)(0.50)
DOI:10.1016/j.mseb.2014.07.010 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2014 TC:0 AU: Mukhopadhyay, K.;Ghosh, M.;Mallick, P. K.;Chakrabarti, P. K.;
7:4:48:4 Enhanced magnetic behavior, exchange bias effect, and dielectric property of BiFeO3 incorporated in (BiFeO3)(0.50) (Co0.4Zn0.4Cu0.2 Fe2O4) (0.5) nanocomposite
DOI:10.1063/1.4869077 JN:AIP ADVANCES PY:2014 TC:0 AU: Mukhopadhyay, K.;Mahapatra, A. S.;Sutradhar, S.;Chakrabarti, P. K.;
7:4:48:5 Dielectric, magnetic and magnetoelectric properties of multiferroic BiFe0.5Cr0.5O3-NiFe2O4 composites
DOI:10.1063/1.3360353 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:11 AU: Babu, S. Narendra;Hsu, Jen-Hwa;Chen, Y. S.;Lin, J. G.;
7:4:48:6 Effect of grain size on the electrical properties of high dense BPT nano crystalline ferro electric ceramics
DOI:10.1016/j.ceramint.2013.07.078 JN:CERAMICS INTERNATIONAL PY:2014 TC:7 AU: Mudinepalli, Venkata Ramana;Song, Shenhua;Li, Junqin;Murty, B. S.;
7:4:48:7 Large converse magnetoelectric effect in Na0.5Bi0.5TiO3-CoFe2O4 lead-free multiferroic composites
DOI:10.1063/1.3679054 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Babu, S. Narendra;Malkinski, Leszek;
7:4:48:8 Characterization of submicrometer-sized NiZn ferrite prepared by spark plasma sintering
DOI:10.1016/j.ceramint.2013.11.099 JN:CERAMICS INTERNATIONAL PY:2014 TC:7 AU: Song, Shenhua;Song, Qingguo;Li, Junqin;Mudinepalli, Venkata Ramana;Zhang, Zhongyi;
7:4:48:9 Electric field tunable magnetic properties of lead-free Na0.5Bi0.5TiO3/CoFe2O4 multiferroic composites
DOI:10.1063/1.3544500 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Babu, S. Narendra;Min, Seong Gi;Malkinski, Leszek;
7:4:48:10 Study of 0.9 BaTiO3-0.1 NixZn1-xFe2O4 magneto-electric composite ceramics
DOI:10.1063/1.4796145 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:7 AU: Upadhyay, Sanjay Kumar;Reddy, V. Raghavnedra;
7:4:48:11 Effect of CoFe2O4 Content on the Dielectric and Magnetoelectric Properties in CoFe2O4/Pb(Mg1/3Nb2/3)(0.35)Ti0.65O3 Composites
DOI:10.1080/00150193.2010.492726 JN:FERROELECTRICS PY:2011 TC:3 AU: Pei, Ying;Li, Qishou;Shi, Wei;Zhang, Bin;Chen, Qiang;Yue, Xi;Xiao, Dingquan;Zhu, Jianguo;
7:4:48:12 Magnetoelectric response in lead-free multiferroic NiFe2O4-Na0.5Bi0.5TiO3 composites
DOI:10.1063/1.3540623 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:11 AU: Babu, S. Narendra;Hsu, Jen-Hwa;Chen, Y. S.;Lin, J. G.;
7:4:48:13 Static and dynamic magnetic behavior of nanocrystalline and nanocomposites of (Mn0.6Zn0.4Fe2O4)((1-z))(SiO2)(z) (z=0.0, 0.10, 0.15, 0.25)
DOI:10.1063/1.3499644 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:5 AU: Modak, S.;Karan, S.;Roy, S. K.;Chakrabarti, P. K.;
7:4:49:1 Growth of (111) oriented NiFe2O4 polycrystalline thin films on Pt(111) via sol-gel processing
DOI:10.1063/1.4752725 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:7 AU: Seifikar, Safoura;Tabei, Ali;Sachet, Edward;Rawdanowicz, Thomas;Bassiri-Gharb, Nazanin;Schwartz, Justin;
7:4:49:2 Structural and magnetic properties of biaxially textured NiFe2O4 thin films grown on c-plane sapphire
DOI:10.1063/1.4770366 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Seifikar, Safoura;Calandro, Bridget;Deeb, Elisabeth;Sachet, Edward;Yang, Jijin;Maria, Jon-Paul;Bassiri-Gharb, Nazanin;Schwartz, Justin;
7:4:49:3 Electric-field-control of magnetic remanence of NiFe2O4 thin film epitaxially grown on Pb(Mg1/3Nb2/3)O-3-PbTiO3
DOI:10.1063/1.3427311 JN:APPLIED PHYSICS LETTERS PY:2010 TC:10 AU: Park, Jung Hwan;Jeong, Young Kyu;Ryu, Sangwoo;Son, Jong Yeog;Jang, Hyun Myung;
7:4:49:4 Optimized Growth of Heteroepitaxial (111) NiFe2O4 Thin Films on (0001) Sapphire with Two In-Plane Variants via Chemical Solution Deposition
DOI:10.1111/jace.12520 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:2 AU: Seifikar, Safoura;Calandro, Bridget;Rasic, Goran;Deeb, Elisabeth;Yang, Jijin;Bassiri-Gharb, Nazanin;Schwartz, Justin;
7:4:49:5 Synthesis of the nanocrystalline CoFe2O4 ferrite thin films by a novel sol-gel method using glucose as an additional agent
DOI:10.1016/j.mseb.2011.12.017 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2012 TC:14 AU: Sun, Jianrong;Wang, Zhiguang;Wang, Yuyu;Zhu, Yabin;Shen, Tielong;Pang, Lilong;Wei, Kongfang;Li, Fashen;
7:4:49:6 Piezoelectrically enhanced exchange bias in multiferroic heterostructures
DOI:10.1039/c4tc01337a JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2014 TC:0 AU: Kim, Tae Y.;Song, Seungwoo;Jang, Hyun M.;Peters, John A.;Jeong, Young K.;
7:4:49:7 Structural and magnetic properties of sol-gel derived NiFe2O4 thin films on silicon substrates
DOI:10.1016/j.jmmm.2014.03.004 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:0 AU: Seifikar, Safoura;Rawdanowicz, Thomas;Straka, Weston;Quintero, Christopher;Bassiri-Gharb, Nazanin;Schwartz, Justin;
7:4:50:1 Colossal electroresistance and colossal magnetoresistance in spinel multiferroic CdCr2S4
DOI:10.1063/1.3368123 JN:APPLIED PHYSICS LETTERS PY:2010 TC:13 AU: Sun, C. P.;Huang, C. L.;Lin, C. C.;Her, J. L.;Ho, C. J.;Lin, J. -Y.;Berger, H.;Yang, H. D.;
7:4:50:2 Disorder enhanced intrinsic electroresistance in Sm0.60Sr0.40Mn1-xFexO3
DOI:10.1063/1.4726265 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Mahmud, S. T.;Saber, M. M.;Alagoz, H. S.;Biggart, K.;Bouveyron, R.;Khan, Mahmud;Jung, J.;Chow, K. H.;
7:4:50:3 Intrinsic electroresistance of Sm0.60Sr0.40MnO3 and Sm0.55Sr0.45MnO3
DOI:10.1063/1.3687179 JN:APPLIED PHYSICS LETTERS PY:2012 TC:5 AU: Mahmud, S. T.;Saber, M. M.;Alagoz, H. S.;Bouveyron, R.;Jung, J.;Chow, K. H.;
7:4:50:4 Negative differential resistance in Gd0.5Sr0.5MnO3: A consequence of Joule heating
DOI:10.1063/1.3486221 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:7 AU: Wagh, Aditya A.;Kumar, P. S. Anil;Bhat, H. L.;Elizabeth, Suja;
7:4:50:5 Electroresistance, magnetocapacitance and magnetotransport properties of La0.55Ca0.45MnO3/BaTiO3 composite
DOI:10.1016/j.matchemphys.2012.08.009 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:3 AU: Deac, I. G.;Balasz, I.;
7:4:50:6 Current driven discontinuous insulator-metal transition and low-field colossal magnetoresistance in Sm0.6Sr0.4MnO3
DOI:10.1063/1.3386535 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Rebello, A.;Mahendiran, R.;
7:4:50:7 Electronic, structural and magnetic phase diagram of Sm1-xSrxMnO3 manganites
DOI:10.1016/j.jmmm.2009.11.034 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:10 AU: Kurbakov, A. I.;
7:4:50:8 Electro-thermal bistability in (La0.7Sr0.3) MnO3 suspended microbridges: Thermal characterization and transient analysis
DOI:10.1063/1.4864222 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Ceriale, Valentina;Pellegrino, Luca;Manca, Nicola;Marre, Daniele;
7:4:50:9 Electroresistance and Joule heating effects in manganite thin films
DOI:10.1063/1.4792222 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Balcells, Ll.;Pena, L.;Galceran, R.;Pomar, A.;Bozzo, B.;Konstantinovic, Z.;Sandiumenge, F.;Martinez, B.;
7:4:50:10 Annealing induced colossal magnetocapacitance and colossal magnetoresistance in In-doped CdCr2S4
DOI:10.1063/1.4770486 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Xie, Y. M.;Yang, Z. R.;Li, L.;Yin, L. H.;Hu, X. B.;Huang, Y. L.;Jian, H. B.;Song, W. H.;Sun, Y. P.;Zhou, S. Q.;Zhang, Y. H.;
7:4:51:1 Present status of theoretical modeling the magnetoelectric effect in magnetostrictive-piezoelectric nanostructures. Part I: Low frequency and electromechanical resonance ranges
DOI:10.1063/1.3313919 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:33 AU: Bichurin, M. I.;Petrov, V. M.;Averkin, S. V.;Liverts, E.;
7:4:51:2 Direct measurements of field-induced strain at magnetoelectric interfaces by grazing incidence x-ray diffraction
DOI:10.1063/1.4773358 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Abes, M.;Koops, C. T.;Hrkac, S. B.;Greve, H.;Quandt, E.;Collins, S. P.;Murphy, B. M.;Magnussen, O. M.;
7:4:51:3 Enhancing magnetoelectric effect via the curvature of composite cylinder
DOI:10.1063/1.3415528 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:22 AU: Wang, H. M.;Pan, E.;Chen, W. Q.;
7:4:51:4 Effective magnetoelectric effect in multicoated circular fibrous multiferroic composites
DOI:10.1063/1.3583580 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:16 AU: Kuo, Hsin-Yi;Pan, Ernian;
7:4:51:5 Preparation and properties of the CoFe2O4/Bi3.15Nd0.85Ti3O12 multiferroic composite coaxial nanotubes
DOI:10.1016/j.matlet.2012.05.058 JN:MATERIALS LETTERS PY:2012 TC:1 AU: Liu, Xiaolian;Li, Meiya;Hu, Zhongqiang;Zhu, Yongdan;Dong, Shuxiang;Zhao, Xingzhong;
7:4:51:6 Local magnetization and strain in single magnetoelectric microrod composites
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7:4:51:7 Magnetoelectric effect of three-phase core-shell-matrix particulate multiferroic composites
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7:4:51:8 Direct measurements of field-induced strain in magnetoelectric composites by X-ray diffraction studies of forbidden reflections
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7:4:51:9 Optimization of magnetoelectricity in piezoelectric-magnetostrictive bilayers
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7:4:51:10 Influence of thin interphase on magnetoelectric effect of coated cylindrical fibrous multiferroic composites
DOI:10.1063/1.4808318 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Yue, Y. M.;Xu, K. Y.;
7:4:52:1 Linear magnetoelectric coupling and ferroelectricity induced by the flexomagnetic effect in ferroics
DOI:10.1103/PhysRevB.84.174112 JN:PHYSICAL REVIEW B PY:2011 TC:13 AU: Eliseev, E. A.;Glinchuk, M. D.;Khist, V.;Skorokhod, V. V.;Blinc, R.;Morozovska, A. N.;
7:4:52:2 Colossal dielectric and magnetodielectric effect in Er2O3 nanoparticles embedded in a SiO2 glass matrix
DOI:10.1103/PhysRevB.82.104107 JN:PHYSICAL REVIEW B PY:2010 TC:15 AU: Mukherjee, S.;Chen, C. H.;Chou, C. C.;Tseng, K. F.;Chaudhuri, B. K.;Yang, H. D.;
7:4:52:3 Magnetodielectric effect via a noncollinear-to-collinear spin reorientation in rare-earth iron garnets
DOI:10.1103/PhysRevB.83.012404 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Song, K. M.;Park, Y. A.;Lee, K. D.;Yun, B. K.;Jung, M. H.;Cho, J.;Jung, J. H.;Hur, N.;
7:4:52:4 Magnetic properties of MnO nanocrystals dispersed in a silica matrix
DOI:10.1016/j.jmmm.2011.12.020 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:2 AU: Mukherjee, S.;Yang, H. D.;Pal, A. K.;Majumdar, S.;
7:4:52:5 Magnetic nanoparticles induced dielectric enhancement in (La, Gd)(2)O-3: SiO2 composite systems
DOI:10.1016/j.jmmm.2013.06.054 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:0 AU: Kao, T. H.;Mukherjee, S.;Yang, H. D.;
7:4:52:6 Reply to "Comment on 'Colossal dielectric and magnetodielectric effect in Er2O3 nanoparticles embedded in a SiO2 glass matrix"'
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7:4:52:7 Searching for high-k RE2O3 nanoparticles embedded in SiO2 glass matrix
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7:4:52:9 Particle size reduction: A way to enhanced dielectric properties of magnetocapacitive La2/3Ca1/3MnO3
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7:4:52:10 Spin density in frustrated magnets under mechanical stress: Mn-based antiperovskites
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7:4:53:1 Role of the interface on the magnetoelectric properties of BaTiO3 thin films deposited on polycrystalline Ni foils
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7:4:53:2 Growth Dynamics of Barium Titanate Thin Films on Polycrystalline Ni Foils Using Polymer-Assisted Deposition Technique
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7:4:53:3 In situ photoelectron study of the (Ba,Sr)TiO3/RuO2 contact formation
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7:4:53:4 Compositional Substitutions and Aliovalent Doping of BaTiO3-Based Thin Films on Nickel Foils Prepared by Chemical Solution Deposition
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7:4:53:5 Active low temperature oxidation as a route to minimize electrode-oxide interface reactions in nanoscale capacitors
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7:4:53:6 Pulsed Laser Deposition of BaTiO3 Thin Films on Different Substrates
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7:4:53:7 Magnetoelectric properties of flexible BiFeO3/Ni tapes
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7:4:53:8 Electrophoretic deposition of BaTiO3 thin films from stable colloidal aqueous solutions
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7:4:53:9 Processing of chemical solution-deposited BaTiO3-based thin films on Ni foils
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7:4:53:10 An inexpensive and efficient method for the synthesis of BTO and STO at temperatures lower than 200 degrees C
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7:4:53:11 Ceramic-Controlled Piezoelectric Bulk Implanted with Pt Wire Based on BaTiO3 (Optical Microscopy, SEM, EDS) and PLZT (Optical Bi-dimensional Characterization)
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7:4:54:1 Precise Tuning of (YBa2Cu3O7-delta)(1-x):(BaZrO3)(x) Thin Film Nanocomposite Structures
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7:4:54:2 Nanostructure manipulation and its influence on functionalities in self-assembled oxide thin films
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7:4:54:3 Superhydrophobic ceramic coatings enabled by phase-separated nanostructured composite TiO2-Cu2O thin films
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7:4:54:4 Interactive Growth Effects of Rare-Earth Nanoparticles on Nanorod Formation in YBa2Cu3Ox Thin Films
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7:4:54:5 Self-Assembly of Nanostructured, Complex, Multication Films via Spontaneous Phase Separation and Strain-Driven Ordering
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7:4:54:6 Kinetic Monte Carlo simulations of nanocolumn formation in two-component epitaxial growth
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7:4:54:7 Nanostructured columnar heterostructures of TiO2 and Cu2O enabled by a thin-film self-assembly approach: Potential for photovoltaics
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7:4:54:8 The fabrication of controlled coral-like Cu2O films and their hydrophobic property
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7:4:54:9 Influence of BaZrO3 dopant concentration on properties of YBa2Cu3O6+x films in magnetic fields up to 30 T
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7:4:54:10 Structural transition of secondary phase oxide nanorods in epitaxial YBa2Cu3O7-delta films on vicinal substrates
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7:4:55:1 Predicting effective magnetoelectric response in magnetic-ferroelectric composites via phase-field modeling
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7:4:55:2 Phase field model of dielectric and magnetic composites
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7:4:55:3 Phase-field model of multiferroic composites: Domain structures of ferroelectric particles embedded in a ferromagnetic matrix
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7:4:55:4 Equivalency principle for magnetoelectroelastic multiferroics with arbitrary microstructure: The phase field approach
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7:4:55:5 Phase field modeling of current density distribution and effective electrical conductivity in complex microstructures
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7:4:55:6 Phase field modeling and simulation of particulate magnetoelectric composites: Effects of connectivity, conductivity, poling and bias field
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7:4:55:7 Control of the polarity of magnetization vortex by torsion
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7:4:55:8 Strain-induced polarity switching of magnetic vortex in Fe1-xGax alloys with different compositions
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7:4:55:9 Effect of magnetic domain structure on longitudinal and transverse magnetoelectric response of particulate magnetostrictive-piezoelectric composites
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7:4:56:1 Magnetocapacitance effects of Pb0.7Sr0.3TiO3/La0.7Sr0.3MnO3 thin film on Si substrate
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7:4:56:2 Magnetoelectric Characterization of Multiferroic Nanostructure Materials
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7:4:56:3 Study of physical properties of integrated ferroelectric/ferromagnetic heterostructures
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7:4:56:4 Physical properties of bifunctional BST/LSMO nanocomposites
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7:4:56:5 Observation of strong magnetoelectric effects in Ba0.7Sr0.3TiO3/La0.7Sr0.3MnO3 thin film heterostructures
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7:4:56:6 Diffuse phase transition and magnetoelectric effect in (f) Co0.8Ni0.2Fe2O4 + (1-f) PMN-PT particulate composites
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7:4:56:7 Effect of Ferrite Concentration on Dielectric and Magnetoelectric Properties in (1-x)Pb(Mg1/3Nb2/3)(0.68)Ti0.32O3 +(x) CoFe2O4 Particulate Composites
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7:4:56:8 Effect of polarization-memory in SrTiO3/La0.9Sr0.1MnO3 multilayer on Si substrate
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7:4:57:1 Highly constrained ferroelectric [BaTiO3]((1-x)Lambda)/[BaZrO3](x Lambda) superlattices: X-ray diffraction and Raman spectroscopy
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7:4:57:2 Effect of periodicity and composition in artificial BaTiO3/(Ba,Sr)TiO3 superlattices
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7:4:57:3 Ferroelectric BaTiO3/BaZrO3 superlattices: X-ray diffraction, Raman spectroscopy, and polarization hysteresis loops
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7:4:57:4 Phase transitions in BaTiO3 thin films and BaTiO3/BaZrO3 superlattices
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7:4:57:5 Ferroelectric and Dielectric Properties of BaTiO3/Ba0.30Sr0.70TiO3 Superlattices
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7:4:57:7 Phase Diagrams of BaTiO3/BaZrO3 Superlattices
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7:4:57:8 Strain tunable ferroelectric and dielectric properties of BaZrO3
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7:4:57:9 X-ray Diffraction Study of BaTiO3/(Ba1-xSrx)TiO3 Artificial Superlattices
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7:4:57:10 Analysis for the nonlinear electro-optic modulation effect of BaTiO3 crystal thin-film waveguide modulators
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7:4:58:1 Magnetodielectric effect in lead-free multiferroic CoFe2O4/K0.5Na0.5NbO3 bilayers
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7:4:58:2 Crystal structure and multiferroic properties of BiFeO3-Na0.5K0.5NbO3 solid solution ceramics prepared by Pechini method
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7:4:58:3 Magnetodielectric effect in NaNbO3-NiFe2O4 particulate composite
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7:4:58:4 Fabrication of multiferroic Ba0.7Sr0.3TiO3-Ni0.8Zn0.2Fe2O4 composite nanofibers by electrospinning
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7:4:58:5 Obtainment of exchange coupling coefficient of Ni0.6Zn0.4Fe2O4/SrFe12O19 composites
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7:4:58:6 Monolithic magnetoelectric heterostructure with enhanced ferroelectric and piezoelectric properties and tunable magnetic properties
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7:4:58:7 Magnetoelectric Pb(Zr0.52Ti0.48)O-3-La0.65Sr0.35MnO3 composite thin films derived by the pulse laser deposition method
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7:4:59:1 Magnetodielectric effects of Y3Fe5-xTixO12+x/2 ceramics
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7:4:59:2 Enhanced Ferroelectric and Dielectric Properties of CoFe2O4-Pb(Zr0.53Ti0.47)O-3 Multiferroic Composite Thick Films
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7:4:59:3 Magnetic and magnetodielectric properties of Bi-substituted yttrium iron garnet ceramics
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7:4:59:4 Effects of Al Substitution on Dielectric Response and Magnetic Behavior of Yttrium Iron Garnet Ceramics
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7:4:59:5 Dielectric relaxation and magnetic behavior of bismuth-substituted yttrium iron garnet
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7:4:59:6 Effects of Bi-Substitution on Dielectric and Ferroelectric Properties of Yttrium Iron Garnet Ceramics
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7:4:59:7 Magnetodielectric response in the charge ordered oxyborate Fe2OBO3
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7:4:59:8 Synthesis and magnetic properties of hexagonal Y(Mn,Cu)O-3 multiferroic materials
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7:4:59:9 Dielectric properties of strontium iron holmium niobate ceramics
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7:4:59:10 Dielectric and magnetic properties of Y3-xTbxFe5O12 ferrimagnets
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7:4:60:2 Quantitative strain analysis and growth mode of pulsed laser deposited epitaxial CoFe2O4 thin films
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7:4:60:3 Molecular Auxetic Behavior of Epitaxial Co-Ferrite Spinel Thin Film
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7:4:60:4 Growth mechanism and magnetism of CoFe2O4 thin films; Role of the substrate
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7:4:60:5 Electric-field control of magnetic properties of CoFe2O4 films on Pb(Mg1/3Nb2/3)O-3-PbTiO3 substrate
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7:4:60:6 Origin of enhanced magnetoelectric coupling in NiFe2O4/BaTiO3 multilayers studied by x-ray magnetic circular dichroism
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7:4:60:7 Epitaxial growth of CoFe2O4 on SrTiO3 (100) and MgO (100) substrates without buffer layer by laser molecular beam epitaxy technique
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7:4:61:1 Exchange-bias like hysteretic magnetoelectric-coupling of as-grown synthetic antiferromagnetic structures
DOI:10.1063/1.4748304 JN:APPLIED PHYSICS LETTERS PY:2012 TC:8 AU: Rizwan, Syed;Zhang, S.;Zhao, Y. G.;Han, X. F.;
7:4:61:2 Piezoelectric manipulation of Co/CoO exchange-bias bilayer system at low-temperature
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7:4:61:3 Magnetic field-induced elastic bending in bilayers of Tb1-xDyxFe2-y and Pb(Zr1-zTiz)O-3
DOI:10.1016/j.jmmm.2014.04.025 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:1 AU: Tao Jin;Wu Qichao;Zhang Ning;
7:4:61:4 Electric-field control of CoFeB/IrMn exchange bias system
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7:4:61:5 Piezoelectric enhancement of giant magnetoresistance in spin-valves with different magnetic anisotropies
DOI:10.1063/1.4775574 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Rizwan, Syed;Zhang, S.;Yu, Tian;Zhao, Y. G.;Han, X. F.;
7:4:61:6 Room temperature magneto-birefringence in composites of stress-birefringence and magnetostriction
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7:4:61:7 Magneto-optical coupling in bilayer composites of Terfenol-D and Polycarbonate
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7:4:61:8 Exchange-bias like hysteretic magnetoelectric-coupling of as-grown synthetic antiferromagnetic structures (vol 101, 082414, 2012)
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7:4:61:9 Room temperature magneto-birefringence in composites of stress-birefringence and magnetostriction (vol 113, 173903, 2013)
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7:4:62:1 Multiferroic Ni0.6Zn0.4Fe2O4-BaTiO3 nanostructures: Magnetoelectric coupling, dielectric, and fluorescence
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7:4:62:2 Multiferroic properties of Ba(FexTi1-x)O-3 nanorods
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7:4:62:3 Raman spectra, photoluminescence, magnetism and magnetoelectric coupling in pure and Fe doped BaTiO3 nanostructures
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7:4:62:4 The magnetoelectric properties of La0.7Sr0.3MnO3/BaTiO3 bilayers with various orientations
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7:4:62:5 Thickness and frequency dependence of magnetoelectric effect for epitaxial La0.7Sr0.3MnO3/BaTiO3 bilayer
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7:4:62:6 Magnetoelectric effect in La0.7Sr0.3MnO3-BaTiO3 core-shell nanocomposite
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7:4:62:7 Anisotropic electronic structure in single crystalline orthorhombic TbMnO3 thin films
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7:4:63:1 Enhanced magnetoelectric effect in a stress-biased lead magnesium niobate-lead titanate single crystal/Terfenol-D alloy magnetoelectric sensor
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7:4:63:2 Frequency response of magnetoelectric 1-3-type composites
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7:4:63:3 Magnetoelectricity of lateral 1-3 type composites with CoFe2O4 ferromagnetic microstrips embedded in (K,Na)NbO3-based piezoceramic substrate
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7:4:63:4 Magnetoelectric response of AlN/[(Fe90Co10)(78)Si12B10 + Terfenol-D] composite films
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7:4:63:5 LPF-doped core-shell structure based CFO/PLZT 0-3 magnetoelectric composite ceramics
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7:4:63:6 Magnetoelectric effect in lead-free sandwich film composed of Co-ferrite and (K0.5Na0.5)NbO3-based ferroelectric
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7:4:63:7 Enhanced magnetoelectrical coupling in cobalt ferrite/lead lanthanum zirconate titanate 0-3 composites through phase boundary modification
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7:4:63:8 Kerf profile and piezoresponse study of the laser micro-machined PMN-PT single crystal using 355 nm Nd:YAG
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7:4:64:1 Magnetic field modulated dielectric relaxation behavior of Pt/BiScO3-PbTiO3/La0.7Sr0.3MnO3 heterostructure in metal-insulator transition region: An equivalent-circuit method
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7:4:64:2 The magnetodielectric effect in BaTiO3-SrFe12O19 nanocomposites
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7:4:64:3 Magnetodielectric response in 0.36BiScO(3)-0.64PbTiO(3)/La0.7Sr0.3MnO3 thin films and the corresponding model modifications
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7:4:64:4 Dielectric, magnetoelectric and magnetodielectric properties in CMFO-SBN composites
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7:4:64:5 Large magnetodielectric response in Pr0.6Ca0.4MnO3/polyvinylidene fluoride nanocomposites
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7:4:64:6 Magnetodielectric properties of La0.67Sr0.33MnO3 and Ba0.7Sr0.3TiO3 thin film heterostructures
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7:4:64:7 Growth and Electric Properties of MPB BiScO3-PbTiO3 Thin Films on La0.7Sr0.3MnO3-Coated Silicon Substrates
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7:4:64:8 Large Magnetodielectric Effect in (1-X) La2NiMnO6-(X) La2/3Sr1/3MnO3 Composites
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7:4:64:9 Magnetic field modulated dielectric relaxation behavior of Pt/BiScO3-PbTiO3/La0.7Sr0.3MnO3 heterostructure in metal-insulator transition region: An equivalent-circuit method (vol 110, 114118, 2011)
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7:4:65:1 Inequivalence of direct and converse magnetoelectric coupling at electromechanical resonance
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7:4:65:2 Uniformity of direct and converse magnetoelectric effects in magnetostrictive-piezoelectric composites
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7:4:65:3 Equivalence of direct and converse magnetoelectric coefficients in strain-coupled two-phase systems
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7:4:65:4 Electrical impedance dependence on the direct and converse magnetoelectric resonances in magnetostrictive/piezoelectric laminated composites
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7:4:65:5 Magnetostrictive/piezoelectric drum magnetoelectric transducer for H-2 detection
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7:4:66:1 Preparation and multiferroic properties of 2-2 type CoFe2O4/Pb(Zr,Ti)O-3 composite films with different structures
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7:4:66:2 Enhanced magnetoelectric coupling in Pb(Zr0.52Ti0.48)O-3 film-on-CoFe2O4 bulk ceramic composite with LaNiO3 bottom electrode
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7:4:66:3 Active ferroelectricity in nanostructured multiferroic BiFeO3 bulk ceramics
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7:4:66:4 Investigation of spin phonon coupling in BiFeO3 based system by Fourier transform infrared spectroscopy
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7:4:66:5 Spin-glass behavior of nanocrystalline multiferroic bismuth ferrite lead titanate
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7:4:66:6 Thickness dependence of magnetoelectric response for composites of Pb(Zr0.52Ti0.48)O-3 films on CoFe2O4 ceramic substrates
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7:4:66:7 The ferroelectric and ferromagnetic characterization of CoFe2O4/Pb(Mg1/3Nb2/3)O-3-PbTiO3 multilayered thin films
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7:4:67:1 Magnetoelectric coupling in solution derived 3-0 type PbZr0.52Ti0.48O3:xCoFe(2)O(4) nanocomposite films
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7:4:67:2 Surface contributions to the alternating current and direct current magnetic properties of oleic acid coated CoFe2O4 nanoparticles
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7:4:67:3 Stress magnetization model for magnetostriction in multiferroic composite
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7:4:67:4 Structural and Magnetic Properties of CoFe2O4 and Co0.5Zn0.5Fe2O4 Nanoparticles for the Magnetoelectric Composite Films
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7:4:67:5 Anisotropy in magnetoelectric composites
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7:4:67:6 Controllable microstructures and multiferroic properties of Pb(Zr0.53Ti0.47)O-3-CoFe2O4 composite films
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7:4:67:7 Angular Dependence of the Magnetoelectric Effect on PMN-PT/CFO Particulate Composites
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7:4:68:1 The lumped equivalent circuit model of the multi-passband tunable microwave magnetoelectric filters
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7:4:68:2 A generalized lumped element modeling of electrically and magnetically dual-tunable microwave magnetoelectric resonators
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7:4:68:3 A generalized lumped element modeling of electrically and magnetically dual-tunable coupled microstrip filters
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7:4:68:4 Present status of theoretical modeling the magnetoelectric effect in magnetostrictive-piezoelectric nanostructures. Part II: Magnetic and magnetoacoustic resonance ranges
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7:4:68:5 A generalized lumped-element equivalent circuit for tunable magnetoelectric microwave devices with multi-magnetoelectric laminates
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7:4:69:1 Structural characterization of barium titanate-cobalt ferrite composite powders
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7:4:69:2 Room temperature structural, morphological, and enhanced ferroelectromagnetic properties of xBa(0.7)Ca(0.3)TiO(3)-(1-x)BaFe0.2Ti0.8O3 multiferroic composites
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7:4:69:3 Electromagnetic properties of multiferroic magnetoelectric BaTiO3-CoxFe3-xO4 core-shell particles obtained by homogeneous coprecipitation
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7:4:69:4 Structure, Ferroelectric, Dielectric and Energy Storage Studies of Ba0.70Ca0.30TiO3, Ba(Zr0.20Ti0.80)O-3 Ceramic Capacitors
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7:4:69:5 Structural evolution of Ba8Ti3Nb4O24 from BaTiO3 using a series of Ba(Ti1-5xNb4x)O-3 solid solutions
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7:4:69:6 Improvement of the physical properties of novel (1-y) Co0.8Cu0.2Fe2O4 + (y) SrTiO3 nanocomposite
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7:4:69:7 Influence of Ni/Co molar ratio on electromagnetic properties and microwave absorption performances for Ni/Co paraffin composites
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7:4:69:8 In situ investigation of chemical reactions between BaCO3 and anatase or rutile TiO2
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7:4:69:9 Effect of Nd Doping on Structural, Dielectric and Ferroelectric Properties of Ba(Zr0.05Ti0.95)O-3 Ceramic
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7:4:70:1 Electric-field-induced changes in magnetization in PZT/Insulator/CoFe nanometer multilayer
DOI:10.1016/j.jmmm.2012.06.018 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:2 AU: Zhang, Hui;
7:4:70:2 Magnetostriction and its inverse effect in Tb0.3Dy0.7Fe2 alloy
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7:4:70:3 Field-induced changes in polarization and magnetization in Tb0.3Dy0.7Fe2/PZT laminate composite
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7:4:70:4 Strain effects on formation and migration energies of oxygen vacancy in perovskite ferroelectrics: A first-principles study
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7:4:70:5 Anisotropic magnetomechanical effect in Tb0.3Dy0.7Fe2 alloy
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7:4:70:6 Thermo-electromechanical response of a ferroelectric perovskite from molecular dynamics simulations
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7:4:70:7 Electric field induced magnetization of multiferroic horizontal heterostructures
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7:4:71:1 Nanoscale ordering and multiferroic behavior in Pb(Fe1/2Ta1/2)O-3
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7:4:71:2 Dielectric and polarized Raman spectroscopic studies on 0.85Pb(Zn1/3Nb2/3)O-3-0.15PbTiO(3) single crystal
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7:4:71:3 Vibrational, magnetic, and dielectric behavior of La-substituted BiFeO3-PbTiO3
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7:4:71:4 Coexistence of weak ferromagnetism and polar lattice distortion in epitaxial NiTiO3 thin films of the LiNbO3-type structure
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7:4:71:5 x-T phase diagram of La-substituted BiFeO3-PbTiO3
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7:4:71:6 Study of field-induced phase transitions in 0.68PbMg(1/3)Nb(2/3)O(3)-0.32PbTiO(3) relaxor single crystal by polarized micro-Raman spectroscopy
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7:4:72:1 Adiabatic to non adiabatic change in conduction mechanism of Zn doped La0.67Sr0.33MnO3 perovskite
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7:4:72:2 Study of structural, electrical and magnetic properties of Zn doped La0.67Sr0.33MnO3
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7:4:72:3 Influence of Pb doping on the structural, optical and electrical properties of nanocomposite Se-Te thin films
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7:4:72:4 Electrical properties and conduction mechanisms in La2/3Ca1/3MnO3 thin films prepared by pulsed laser deposition on different substrates
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7:4:72:5 Enhancement of localization phenomena driven by covalency in the SrBiMn1.75Ti0.25O6 manganite
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7:4:72:6 Change of conduction mechanism in the impedance of grain boundaries in Pr0.4Ca0.6Mn03
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7:4:72:7 Ferromagnetism and adiabatic to non-adiabatic switching process in La0.33Sr0.67Mn1-xFexO3 (0 <= x <= 0.02) manganite
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7:4:72:8 Synthesis and evolution of magnetic properties of Ni doped La2/3Sr1/3Mn1-xNixO3 nanoparticles
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7:4:73:1 Synthesis of Necklace-like Magnetic Nanorings
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7:4:73:2 High-Yield Solvothermal Synthesis of Magnetic Peapod Nanocomposites via the Capture of Preformed Nanoparticles in Scrolled Nanosheets
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7:4:73:3 In situ synthesis of cobalt nanoparticles in functionalized liquid crystalline polymers
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7:4:73:5 Ultrasonic synthesis, formation mechanism and optical properties of single-crystalline Pb(OH)Br microrings
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7:4:73:6 Periodic nanocomposites: A simple path for the preferential self-assembly of nanoparticles in block-copolymers
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7:4:74:1 Preparation of Cobalt Ferrite Thick Films and Their Magnetic and Electrical Properties
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7:4:74:2 Tape casting of cobalt ferrite from nonaqueous slurry
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7:4:74:3 Structural and dielectric properties of laser ablated BaTiO3 films deposited over electrophoretically dispersed CoFe2O4 grains
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7:4:74:4 Cobalt ferrite dispersion in organic solvents for electrophoretic deposition: Influence of suspension parameters on the film microstructure
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7:4:74:5 Structural and magnetic properties of free-standing Ni0.23Cu0.11Zn0.66Fe2O4 thick films prepared using a modified tape-casting method
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7:4:74:6 Electrophoretic Deposition of CoFe2O4 Nanograins Dispersed in a Laser Ablated BaTiO3 Matrix
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7:4:75:1 Slow magnetic dynamics in the (K3M3M2F15)-M-II-F-III multiferroic system
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7:4:75:2 Magnetic properties of multiferroic K3Cr2Fe3F15
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7:4:75:3 Muon spin relaxation in some multiferroic fluorides
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7:4:75:4 Magnetic memory effect in multiferroic K3Fe5F15 and K3Cr2Fe3F15
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7:4:75:5 Magnetic and Mossbauer characterization of the multiferroic fluoride K3Fe5F15
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7:4:75:6 Phase Separation and Phase Transitions in Multiferroic K0.58FeF3 with the Tetragonal Tungsten Bronze Structure
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7:4:75:7 Magnetism in multiferroic Pb5Cr3F19
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7:4:76:1 Enhanced low field magnetoresistance in nanocrystalline La0.7Sr0.3MnO3 synthesized on MgO nanowires
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7:4:76:2 Preparation and Characterization of Lanthanum Strontium Manganite Thin Films by Metal-Organic Chemical Liquid Deposition
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7:4:76:3 Enhancement of the magnetoresistance and negative differential conductance of nanostructure arrays
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7:4:76:4 Observation of double exchange driven electroresistance of La0.67Ca0.33MnO3 thin film
DOI:10.1063/1.4820587 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Kambhala, Nagaiah;Viswanath, P.;Angappane, S.;
7:4:76:5 Low-Field Magnetoresistance Effect in Core-Shell Structured La0.7Sr0.3CoO3 Nanoparticles
DOI:10.1002/smll.201102070 JN:SMALL PY:2012 TC:4 AU: Wang, Yang;Fan, Hong Jin;
7:4:76:6 Robustness of the magnetoresistance of nanoparticle arrays
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7:4:76:7 Spin transport in ferromagnetic/normal-metal tunnel junction arrays
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7:4:76:8 Switching magnetoresistance in vertically interfaced Pr0.5Ca0.5MnO3 grown on ZnO nanowires
DOI:10.1063/1.3627182 JN:APPLIED PHYSICS LETTERS PY:2011 TC:2 AU: Mangalam, R. V. K.;Zhang, Z.;Wu, T.;Prellier, W.;
7:4:77:1 Thermally mediated multiferroic composites for the magnetoelectric materials
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7:4:77:2 Induced magneto-electric coupling in ferroelectric/ferromagnetic heterostructures
DOI:10.1063/1.4818455 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Carvell, Jeffrey;Cheng, Ruihua;Dowben, P. A.;Yang, Q.;
7:4:77:3 Magnetoelectric effects in ferromagnetic cobalt/ferroelectric copolymer multilayer films
DOI:10.1063/1.3488814 JN:APPLIED PHYSICS LETTERS PY:2010 TC:6 AU: Mardana, A.;Bai, Mengjun;Baruth, A.;Ducharme, Stephen;Adenwalla, S.;
7:4:77:4 Induced magneto-electric coupling at ferroelectric/ferromagnetic interface
DOI:10.1063/1.4794873 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Carvell, Jeffrey;Cheng, Ruihua;Yang, Q.;
7:4:78:1 First-principles study of Fe/MgO based magnetic tunnel junctions with Mg interlayers
DOI:10.1103/PhysRevB.82.054405 JN:PHYSICAL REVIEW B PY:2010 TC:12 AU: Wang, Yan;Zhang, Jia;Zhang, X. -G.;Cheng, Hai-Ping;Han, X. F.;
7:4:78:2 First-principles study of Co concentration and interfacial resonance states in Fe1-Co-x(x) magnetic tunnel junctions
DOI:10.1103/PhysRevB.88.104408 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Trinastic, J. P.;Wang, Yan;Cheng, Hai-Ping;
7:4:78:3 Tailoring tunnel magnetoresistance by ultrathin Cr and Co interlayers: A first-principles investigation of Fe/MgO/Fe junctions
DOI:10.1103/PhysRevB.82.014412 JN:PHYSICAL REVIEW B PY:2010 TC:6 AU: Bose, Peter;Zahn, Peter;Henk, Juergen;Mertig, Ingrid;
7:4:78:4 Correlating transmission and local electronic structure in planar junctions: A tool for analyzing transport calculations
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7:4:78:5 Magnetic fluctuation and frustration in new iron-based layered SrFe1-xCoxAsF superconductors
DOI:10.1063/1.3448233 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:6 AU: Wang, W.;Li, B.;Liu, S.;Liu, M.;Xing, Z. W.;
7:4:79:1 Multiferroic Polymer Composites with Greatly Enhanced Magnetoelectric Effect under a Low Magnetic Bias
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7:4:79:2 Multiferroic Polymer Laminate Composites Exhibiting High Magnetoelectric Response Induced by Hydrogen-Bonding Interactions
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7:4:79:3 Large magnetoelectric coupling coefficient in poly(vinylidene fluoride-hexafluoropropylene)/Metglas laminates
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7:4:79:4 The preparation and characterization of 1D multiferroic BFO/P(VDF-TrFE) composite nanofibers using electrospinning
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7:4:80:1 High sensitivity low field magnetically gated resistive switching in CoFe2O4/La0.66Sr0.34MnO3 heterostructure
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7:4:80:2 Nanoscale modulation of electronic states across unit cell steps on the surface of an epitaxial colossal magnetoresistance manganite film
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7:4:80:3 Effect of "dipolar-biasing" on the tunability of tunneling magnetoresistance in transition metal oxide systems
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7:4:80:4 Engineered spin-valve type magnetoresistance in Fe3O4-CoFe2O4 core-shell nanoparticles
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7:4:80:5 Giant enhancement of magnetoresistance in core-shell ferromagnetic-charge ordered nanostructures
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7:4:80:6 In-situ stoichiometry determination using x-ray fluorescence generated by reflection-high-energy-electron-diffraction
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7:4:81:1 Magnetoelectric coupling in sol-gel synthesized dilute magnetostrictive-piezoelectric composite thin films
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7:4:81:2 Electromechanical resonance in ferrite-piezoelectric nanopillars, nanowires, nanobilayers, and magnetoelectric interactions
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7:4:81:3 Theory of magnetoelectric effect in laminate composites considering two-dimensional internal stresses and equivalent circuit
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7:4:81:4 Optical characteristic of sol-gel synthesized lead lanthanum titanate-cobalt iron oxide multiferroic composite thin film
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7:4:82:1 Enhanced magnetization and conductive phase in NiFe2O4
DOI:10.1016/j.jmmm.2012.07.020 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:5 AU: Cheng, Ching;
7:4:82:2 Strongly reduced band gap in NiMn2O4 due to cation exchange
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7:4:82:3 Local electronic and magnetic structure of mixed ferrite multilayer materials
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7:4:82:4 Cation and magnetic orders in MnFe2O4 from density functional calculations
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7:4:83:1 Picosecond wide-field magneto-optical imaging of magnetization dynamics of amorphous film elements
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7:4:83:2 Ferromagnetic resonance, magnetic susceptibility, and transformation of domain structure in CoFeB film with growth induced anisotropy
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7:4:83:3 Magnetization dynamics of buckling domain structures in patterned thin films
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7:4:83:4 Low-field microwave absorption in epitaxial La0.7Sr0.3MnO3 films that results from the angle-tuned ferromagnetic resonance in the multidomain state
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7:4:83:5 Magnetic Properties of Co-Fe-B Amorphous Films Thermomagnetically Treated with Different Field Directions
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7:4:83:6 Formation and coarsening of the concertina magnetization pattern in elongated thin-film elements
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7:4:83:7 Magnetic domain compensation effect on the magnetodynamic response of ferromagnetic elements
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7:4:83:8 Vortex-antivortex creation and annihilation on CoFeB crosstie patterns
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7:4:84:1 Effect of filler dispersion and dispersion method on the piezoelectric and magnetoelectric response of CoFe2O4/P(VDF-TrFE) nanocomposites
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7:4:84:2 Magnetoelectric properties of CoFe2O4-Pb(Zr0.52Ti0.48)O-3 multilayered composite film via sol-gel method
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7:4:84:3 Post-curing effect on magnetoelectric performance of single PZT rod/continuous Terfenol-D fiber/epoxy 1-1-3 composites
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7:4:84:4 Estimation of the magnetoelectric coefficient of a piezoelectric-magnetostrictive composite via finite element analysis
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7:4:84:5 Effect of filler dispersion and dispersion method on the piezoelectric and magnetoelectric response of CoFe2O4/P(VDF-TrFE) nanocomposites (vol 313, pg 215, 2014)
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7:4:85:2 Phase coexistence and magnetic anisotropy in polycrystalline and nanocrystalline LaMnO3+delta
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7:4:86:1 Magnetization control for bit pattern formation of spinel ferromagnetic oxides by Kr ion implantation
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7:4:86:3 Magnetization suppression in Co/Pd and CoCrPt by nitrogen ion implantation for bit patterned media fabrication
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7:4:86:4 Magnetic properties and recording performances of patterned media fabricated by nitrogen ion implantation
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7:4:86:5 Extraordinarily large perpendicular magnetic anisotropy in epitaxially strained cobalt-ferrite CoxFe3-xO4(001) (x=0.75, 1.0) thin films (vol 103, 162407, 2013)
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7:4:86:6 Switching field distribution of planar-patterned CrPt3 nanodots fabricated by ion irradiation
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7:4:87:1 Formation and characterization of three-ply structured multiferroic Sm0.88Nd0.12Fe1.93-Pb(Zr0.53Ti0.47)O-3 ceramic composites via a solid solution process
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7:4:87:2 MgO Doping Effects on Dielectric Properties of Ba0.55Sr0.45TiO3 Ceramics
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7:4:87:3 Complex impedance and magnetoelectric effect analyses of a novel three-ply-structured (Tb0.3Dy0.7)(0.75)Pr0.25Fe1.55-Pb(Zr0.53Ti0.47)O-3 nanoceramic composites
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7:4:87:4 Multi-parameter magnetoelectric response modeling of magnetostrictive/piezoelectric laminate composites considering shear strain
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7:4:87:5 Highly enhanced sinterability of fine-grained Ba0.6Sr0.4TiO3-MgO bulk ceramics and in-situ nanocomposite thick films
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7:4:87:6 Theoretical analyses on effective magnetoelectric coupling coefficients in piezoelectric/piezomagnetic laminates
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7:4:88:1 Theoretical model for geometry-dependent magnetoelectric effect in magnetostrictive/piezoelectric composites
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7:4:88:4 Magnetoelectric effect in bilayer magnetostrictive-piezoelectric structure. Theory and experiment
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7:4:88:5 Time-harmonic dynamic Green's functions for two-dimensional functionally graded magnetoelectroelastic materials
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7:4:89:1 Investigation of dielectric and electrical properties of Mn doped sodium potassium niobate ceramic system using impedance spectroscopy
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7:4:89:2 Dielectric and magnetic studies of (NKNLS)(1-x)-(NZFO)(x) multiferroic composites
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7:4:89:3 Advanced imaging techniques for characterization of 0.5BaTiO(3)/0.5Ni(0.5)Zn(0.5)Fe(2)O(4) multiferroic nanocomposite
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7:4:89:4 Enhancement in grain and grain boundary resistivity of BPZT ceramics by two stage sintering
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7:4:89:5 Modification of composite ceramics properties via different preparation techniques
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7:4:90:1 Influence of seed layer on crystal orientation and electrical properties of (Na0.85K0.15)(0.5)Bi0.5TiO3 thin films prepared by a sol-gel process
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7:4:90:2 Structural, ferroelectric, and optical properties of Pb0.60Ca0.20Sr0.20TiO3, Pb0.50Ca0.25Sr0.25TiO3 and Pb0.40Ca0.30Sr0.30TiO3 thin films prepared by the chemical solution deposition technique
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7:4:90:3 Piezoelectric and dielectric aging of Bi-0.5(Na0.82K0.18)(0.5)TiO3 lead-free ferroelectric thick films
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7:4:90:4 Effect of Sc Doping on the Structure and Electrical Properties of (Na0.85K0.15)(0.5)Bi0.5TiO3 Thin Films Prepared by Sol-Gel Processing
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7:4:90:5 Dielectric and optical properties of electroceramic PBZNZT thin films prepared by pulsed laser deposition process
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7:4:91:1 A new aluminum-based metal matrix composite reinforced with cobalt ferrite magnetic nanoparticle
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7:4:91:2 Microstructural and mechanical characterization in 7075 aluminum alloy reinforced by silver nanoparticles dispersion
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7:4:92:1 Spin-glass behavior and exchange bias in phase-separated Nd0.85Sr0.15CoO3
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7:4:92:2 In situ dynamical control of the strain and magnetoresistance of La0.7Ca0.15Sr0.15MnO3 thin films using the magnetostriction of Terfenol-D alloy
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7:4:92:3 Epitaxial growth of La0.7Sr0.3CoO3 thin films on SrTiO3 substrates by metal-organic deposition
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7:4:92:4 Structural, electrical and magnetic properties of epitaxial La0.7Sr0.3CoO3 thin films grown on SrTiO3 and LaAlO3 substrates
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7:4:92:5 Spin glass-like behaviour in Fe-rich phases of Sr2Fe1-xMnxMoO6 (0.1 <= x <= 0.4)
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7:4:93:1 Increasing solvent polarity and addition of salts promote beta-phase poly(vinylidene fluoride) formation
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7:4:93:2 Piezoelectric Membrane Based Biosensor Platform
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7:4:93:3 Ferroelectric Thin Film Diaphragm Resonators for Bio-Detection
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7:4:93:4 Resonance Behavior of Piezoelectric Polymer Diaphragms for Biosensors
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7:4:93:5 Residual stress in piezoelectric poly(vinylidene-fluoride-co-trifluoroethylene) thin films deposited on silicon substrates
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7:4:93:6 A Series Piezoelectric Diaphragm Resonator for Biosensor Applications
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7:4:94:1 Polarization rotation and phase transition in [100]-oriented PZN-PT single crystals determined by the electro-crystalline anisotropy
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7:4:94:2 A theory for structural phase transitions in BaTiO3 single crystal and PbZrO3 -xPbTiO(3) solid solution
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7:4:94:3 Effect of the compressive stress on both polarization rotation and phase transitions in PMN-30%PT single crystal
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7:4:94:4 Polarization rotation and field induced phase transition in PZN-4.5% PT single crystal
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7:4:95:1 Electroresistance and current-induced metastable states in the thin film of half-doped manganite Pr0.5Sr0.5MnO3
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7:4:95:2 Large photoinduced conductivity reduction in thin films of metallic ferromagnetic manganites
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7:4:95:3 Magneto- and electro-resistance effects in phase separated Pr-0.55(Ca0.65S0.35)(0.45)MnO3 films
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7:4:95:4 Electroresistance and field effects in epitaxial thin films of Pr0.7Sr0.3MnO3
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7:4:95:5 Influence of epitaxial growth on phase competition in Pr0.5Sr0.5MnO3 films
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7:4:96:1 A-site disorder driven sharp field-induced transition and collapse of charge ordering in Sm1/2Ca1/2-xSrxMnO3
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7:4:96:2 Pressure effects on the magnetic structure in La0.5Ca0.5-xSrxMnO3 (0.1 < x < 0.4) manganites
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7:4:96:3 Effect of B-site doping in (La0.3Pr0.7)(0.65)Ca0.35Mn1-xBxO3 (B=Fe, Cr, Ru and Al) manganites
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7:4:96:4 Magnetic phase separation in Nd(0.5)(Ca, Sr)(0.5)MnO(3)
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7:4:97:1 Magnetoelectric coupling in antiferroelectric and magnetic laminate composites
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7:4:97:2 Direct and converse magnetoelectric effects in Ni43Mn41Co5Sn11/Pb(Zr,Ti)O-3 laminate
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7:4:97:3 Inductance-capacitance resonance effect in the magnetoelectric composites characterization system
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7:4:98:1 Evolution of ferromagnetic clustering in Pr0.5Ca0.5MnO3 and its effect on the critical temperature of YBa2Cu3O7 thin film
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7:4:98:2 Intricacies of strain and magnetic field induced charge order melting in Pr0.5Ca0.5MnO3 thin films
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7:4:98:3 The effects of strain, current, and magnetic field on superconductivity in Pr0.5Ca0.5MnO3/YBa2Cu3O7/Pr0.5Ca0.5MnO3 trilayer
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7:4:98:4 Effect of current induced charge-order melting of Pr0.5Ca0.5MnO3 in partially masked superconducting Pr0.5Ca0.5MnO3/YBa2Cu3O7 bilayer
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7:4:99:1 Valence band offset of ZnO/BaTiO3 heterojunction measured by X-ray photoelectron spectroscopy
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7:4:99:2 Surface potential of BaTiO3 single crystal near the Curie temperature
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7:4:99:3 Influence of the Polarization and the Temperature on the Surface Potential and the Band Diagram in ZnO/BaTiO3 Heterostructure
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7:4:100:1 Effect of Sintering Temperature on Piezoelectric and Ferroelectric Properties of Lead-Free Piezoelectric Ta-modified (K0.5Na0.5)NbO3 Ceramics
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7:4:100:2 DC magnetic field sensor based on electric driving and magnetic tuning in piezoelectric/magnetostrictive bilayer
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7:4:100:3 dc magnetoelectric sensor based on direct coupling of Lorentz force effect in aluminum strip with transverse piezoelectric effect in 0.7Pb(Mg1/3Nb2/3)O-3-0.3PbTiO(3) single-crystal plate
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7:4:100:4 Piezoelectric-metal-magnet dc magnetoelectric sensor with high dynamic response
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7:4:101:1 Ab initio studies of pristine and oxidized Cu3Au(100) and (111) surfaces
DOI:10.1007/s10853-012-6468-1 JN:JOURNAL OF MATERIALS SCIENCE PY:2012 TC:4 AU: Leitao, Alexandre A.;Dionizio Moreira, M.;Dias, L. G.;Silva, Alexander M.;Capaz, Rodrigo B.;Achete, C. A.;
7:4:101:2 Impact of ambient oxygen on the surface structure of alpha-Cr2O3(0001)
DOI:10.1103/PhysRevB.81.205439 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Bikondoa, O.;Moritz, W.;Torrelles, X.;Kim, H. J.;Thornton, G.;Lindsay, R.;
7:4:101:3 V2O3(0001) Surface Termination: Phase Equilibrium
DOI:10.1103/PhysRevLett.107.016105 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:8 AU: Window, A. J.;Hentz, A.;Sheppard, D. C.;Parkinson, G. S.;Niehus, H.;Ahlbehrendt, D.;Noakes, T. C. Q.;Bailey, P.;Woodruff, D. P.;
7:4:101:4 Signatures of oxygen on Cu3Au(100): From isolated impurity to oxide regimes
DOI:10.1103/PhysRevB.82.045408 JN:PHYSICAL REVIEW B PY:2010 TC:6 AU: Leitao, Alexandre A.;Dias, L. G.;Dionizio Moreira, M.;Stavale, F.;Niehus, H.;Achete, C. A.;Capaz, Rodrigo B.;
7:4:102:1 Enhanced ferroelectric properties of 0.95Pb(Sc0.5Ta0.5)O-3-0.05PbTiO(3) thin films with Pb(Zr-0.52,Ti-0.48)O-3 seed layer
DOI:10.1016/j.ceramint.2011.04.090 JN:CERAMICS INTERNATIONAL PY:2012 TC:5 AU: Pu, Yunti;Zhu, Jiliang;Zhu, Xiaohong;Luo, Yuansheng;Li, Xuedong;Wang, Mingsong;Liu, Jing;Li, Xuhai;Zhu, Jianguo;Xiao, Dingquan;
7:4:102:2 Dielectric and ferroelectric properties of (100)-oriented 0.9Pb(Sc0.5Ta0.5)O-3-0.1%PbTiO3/0.55Pb(Sc0.5Ta0.5)O-3-0.45%PbTiO3 heterostructures
DOI:10.1016/j.apsusc.2014.06.149 JN:APPLIED SURFACE SCIENCE PY:2014 TC:1 AU: Li, Xuedong;Liu, Hong;Liu, Gang;Xiao, Dingquan;Zhu, Jianguo;
7:4:102:3 Effect of different annealing methods on ferroelectric properties of 0.95Pb(Sc0.5Ta0.5)O-3-0.05PbTiO(3) thin films
DOI:10.1016/j.apsusc.2011.02.120 JN:APPLIED SURFACE SCIENCE PY:2011 TC:6 AU: Li, Xuedong;Guo, Hongli;Liu, Hong;Xiao, Dingquan;Zhu, Jianguo;
7:4:103:1 Magnetoelectric properties of laminated La0.7Ba0.3MnO3-BaTiO3 ceramic composites
DOI:10.1016/j.jmmm.2014.04.014 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:1 AU: Clabel, J. L. H.;Zabotto, F. L.;Nogueira, I. C.;Schio, P.;Garcia, D.;de Lima, O. F.;Leite, E. R.;Moreira, F. M. A.;Cardoso, C. A.;
7:4:103:2 Improved crystallinity, spatial arrangement and monodispersity of submicron La0.7Ba0.3MnO3 powders: A citrate chelation approach
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7:4:103:3 Temperature dependence of Raman scattering in AlInN
DOI:10.1063/1.3594697 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Jiang, L. F.;Kong, J. F.;Shen, W. Z.;Guo, Q. X.;
7:4:104:1 Response to "Comment on 'Fundamental limits of energy dissipation in charge-based computing' " [Appl. Phys. Lett. 98, 096101, (2011)]
DOI:10.1063/1.3560059 JN:APPLIED PHYSICS LETTERS PY:2011 TC:1 AU: Boechler, G. P.;Whitney, J. M.;Lent, C. S.;Orlov, A. O.;Snider, G. L.;
7:4:104:2 Fundamental limits of energy dissipation in charge-based computing
DOI:10.1063/1.3484959 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Boechler, Graham P.;Whitney, Jean M.;Lent, Craig S.;Orlov, Alexei O.;Snider, Gregory L.;
7:4:104:3 Comment on "Fundamental limits of energy dissipation in charge-based computing" [Appl. Phys. Lett. 97, 103502, (2010)]
DOI:10.1063/1.3560058 JN:APPLIED PHYSICS LETTERS PY:2011 TC:1 AU: Zhirnov, V. V.;Cavin, R. K.;
7:4:104:4 A multiscale simulation technique for molecular electronics: design of a directed self-assembled molecular n-bit shift register memory device
DOI:10.1088/0957-4484/24/50/505202 JN:NANOTECHNOLOGY PY:2013 TC:0 AU: Lambropoulos, Nicholas A.;Reimers, Jeffrey R.;Crossley, Maxwell J.;Hush, Noel S.;Silverbrook, Kia;
7:4:105:1 Density functional theory investigation of site predilection of Fe substitution in barium titanate
DOI:10.1016/j.ceramint.2012.10.080 JN:CERAMICS INTERNATIONAL PY:2013 TC:2 AU: Nimmanpipug, Piyarat;Saelor, Aroon;Srisombat, Laongnuan;Lee, Vannajan Sanghiran;Laosiritaworn, Yongyut;
7:4:105:2 Rebuttal to "density functional theory investigation of site prediction of Fe substitution in barium titanate"
DOI:10.1016/j.ceramint.2014.07.078 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Nimmanpipug, Piyarat;Srisombat, Laongnaun;Saelor, Aroon;Lee, Vannajan Sanghiran;Pramchu, Sittichain;Laosiritaworn, Yongyut;
7:4:105:3 Investigation of A- and B-site Fe substituted BaTiO3 ceramics
DOI:10.1063/1.4796193 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Maikhuri, Neelam;Panwar, Amrish K.;Jha, A. K.;
7:4:105:4 Comment on "Density functional theory investigation of site predilection of Fe substitution in barium titanate"
DOI:10.1016/j.ceramint.2014.07.079 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Melendez, Juan J.;
7:4:106:1 A study on the glass-crystal transformation under non-isothermal regime: Evaluation of the crystallization kinetics of the Ag0.24As0.30Se0.46 glassy semiconductor by using the theoretical method developed (TMD) and a model-fitting approach
DOI:10.1016/j.jallcom.2012.07.139 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:2 AU: Cardenas-Leal, J. L.;Vazquez, J.;Barreda, D. Garcia-G;Lopez-Alemany, P. L.;Gonzalez-Palma, R.;Villares, P.;
7:4:106:2 An extension to isothermal processes of the theoretical method developed (TMD) to analyze the glass-crystal transformation kinetics by differential scanning calorimetry. Application to the crystallization of the Sb0.16As0.22Se0.62 glassy alloy
DOI:10.1016/j.jallcom.2013.07.166 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:1 AU: Cardenas-Leal, J. L.;Vazquez, J.;Barreda, D. Garcia-G.;Lopez-Alemany, P. L.;Gonzalez-Palma, R.;Villares, P.;
7:4:106:3 An integral method to analyze the glass-crystal transformation kinetics by differential scanning calorimetry under non-isothermal regime. Application to the crystallization of the Ge0.08Sb0.15Se0.77 chalcogenide glass
DOI:10.1007/s10853-011-5465-0 JN:JOURNAL OF MATERIALS SCIENCE PY:2011 TC:3 AU: Vazquez, J.;Cardenas-Leal, J. L.;Gonzalez-Palma, R.;Barreda, D. Garcia-G.;Lopez-Alemany, P. L.;Villares, P.;
7:4:107:1 A New Approach of Polyvinylidene Fluoride (PVDF) Poling Method for Higher Electric Response
DOI:10.1080/00150193.2013.820983 JN:FERROELECTRICS PY:2013 TC:3 AU: Ting, Yung;Gunawan, Hariyanto;Sugondo, Amelia;Chiu, Chun-Wei;
7:4:107:2 A new poling method for piezoelectric ceramics with thick film
DOI:10.1016/j.jeurceramsoc.2014.01.010 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:1 AU: Ting, Yung;Gunawan, Hariyanto;Zhong, Jain-Zhi;Chiu, Chun-Wei;
7:4:107:3 A New Approach for Surface Poling of Polyvinylidene Fluoride (PVDF)
DOI:10.1080/00150193.2013.820978 JN:FERROELECTRICS PY:2013 TC:1 AU: Ting, Yung;Gunawan, Hariyanto;Chiu, Chun-Wei;Zhong, Jain-Zhi;
7:4:108:1 Multiferroic properties of CoFe2O4/Bi3.4La0.6Ti3O12 bilayer structure at room temperature
DOI:10.1063/1.4815966 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Charris-Hernandez, A.;Melgarejo, R.;Barrionuevo, D.;Kumar, A.;Tomar, M. S.;
7:4:108:2 Multiferroic Properties of Bi4-xNdxTi3O12/CoFe2O4 Composite Films
DOI:10.1080/10584587.2011.573717 JN:INTEGRATED FERROELECTRICS PY:2011 TC:1 AU: Barrionuevo, D.;Singh, S. P.;Tomar, M. S.;
7:4:108:3 Structural and Multiferroic Properties of Bi3.4La0.6Ti3O12/CoFe2O4 Composite Thin Films
DOI:10.1080/10584587.2014.912081 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Tomar, M. S.;Charris-Hernandez, A.;Barrionuevo, D.;Kumar, A.;
7:4:109:1 Understanding nanoparticle self-assembly for a strong improvement in functionality in thin film nanocomposites
DOI:10.1088/0957-4484/21/9/095604 JN:NANOTECHNOLOGY PY:2010 TC:11 AU: Harrington, S. A.;Durrell, J. H.;Wang, H.;Wimbush, S. C.;Tsai, C. F.;MacManus-Driscoll, J. L.;
7:4:109:2 Surface texture and interior residual stress variation induced by thickness of YBa2Cu3O7-delta thin films
DOI:10.1063/1.4750037 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Zeng, L.;Lu, Y. M.;Liu, Z. Y.;Chen, C. Z.;Gao, B.;Cai, C. B.;
7:4:109:3 Strong correlated pinning at high growth rates in YBa2Cu3O7-x thin films with Ba2YNbO6 additions
DOI:10.1063/1.4890459 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Ercolano, G.;Bianchetti, M.;Sahonta, S. -L.;Kursumovic, A.;Lee, J. H.;Wang, H.;MacManus-Driscoll, J. L.;
7:4:110:1 Voltage tunable photodetecting properties of La0.4Ca0.6MnO3 films grown on miscut LaSrAlO4 substrates
DOI:10.1063/1.3473781 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Li, X. M.;Zhao, K.;Ni, H.;Zhao, S. Q.;Xiang, W. F.;Lu, Z. Q.;Yue, Z. J.;Wang, F.;Kong, Yu-Chau;Wong, H. K.;
7:4:110:2 MSM Ultraviolet Detectors Based on Zr0.1Ti0.9O2 Solid Solution
DOI:10.1080/10584587.2012.688471 JN:INTEGRATED FERROELECTRICS PY:2012 TC:0 AU: Li, Yunfei;Wang, Sida;Guan, Yingzhou;Feng, Jia;Zhang, Haifeng;Ruan, Shengping;Chen, Lihua;Liu, Kuixue;Liu, Caixia;Zhou, Jingran;
7:4:111:1 Lead free heterogeneous multilayers with giant magneto electric coupling for microelectronics/microelectromechanical systems applications
DOI:10.1063/1.4818411 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Nair, Swapna S.;Pookat, Geetha;Saravanan, Venkata;Anantharaman, M. R.;
7:4:111:2 Giant magnetostriction in magnetite nanoparticles
DOI:10.1016/j.mseb.2011.09.023 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2012 TC:2 AU: Balaji, G.;Narayanan, R. Aravinda;Weber, A.;Mohammad, F.;Kumar, C. S. S. R.;
7:4:112:1 Suppression of ferromagnetism and metal-like conductivity in lightly Fe-doped SrRuO3
DOI:10.1063/1.3624764 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Fan, Jiyu;Liao, Sicheng;Wang, Wenqin;Zhang, Lei;Tong, Wei;Ling, Langsheng;Hong, Bo;Shi, Yangguang;Zhu, Yan;Hu, Dazhi;Pi, Li;Zhang, Yuheng;
7:4:112:2 Interrelatedness of Fe composition on structural and magnetic properties in Fe-doped SrRuO3 thin films
DOI:10.1007/s00339-013-7888-8 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2014 TC:0 AU: Yoo, Y. Z.;Chmaissem, O.;Kolesnik, S.;Brown, D. E.;Dabrowski, B.;Kimball, C. W.;Kim, T. -W.;Kim, M. -S.;Genis, A. P.;Song, J. -H.;
7:4:113:1 Magnetoelectric Properties of Two-Layered Composites Tb0.12Dy0.2Fe0.68 - PbZr0.53Ti0.47O3
DOI:10.1080/00150193.2013.785907 JN:FERROELECTRICS PY:2013 TC:0 AU: Kalgin, A. V.;Gridnev, S. A.;Gribe, Z. H.;
7:4:113:2 Magnetic and Magnetoelectric Properties of Particulate (x)PbZr0.53Ti0.47O3-(1-x) Mn0.4Zn0.6Fe2O4 Composites
DOI:10.1080/00150193.2010.484775 JN:FERROELECTRICS PY:2010 TC:3 AU: Gridnev, S. A.;Kalgin, A. V.;Amirov, A. A.;Kamilov, I. K.;
7:4:114:1 Ferromagnetic resonance and magnetoelastic demodulation in thin active films with an uniaxial anisotropy
DOI:10.1063/1.3382911 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:2 AU: Klimov, A.;Ignatov, Yu.;Tiercelin, N.;Preobrazhensky, V.;Pernod, P.;Nikitov, S.;
7:4:114:2 Patterned L1(0)-FePt for polarization of magnetic films
DOI:10.1063/1.3561172 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:0 AU: Dusch, Yannick;Tiercelin, Nicolas;Klimov, Alexey;Rudenko, Vasyl;Ignatov, Yury;Hage-Ali, Sami;Pernod, Philippe;Preobrazhensky, Vladimir;
7:4:115:1 Persistent photoconductivity induced by electric currents in epitaxial thin films of Pr0.7Sr0.3MnO3
DOI:10.1063/1.3536458 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Wang, J. F.;Gao, J.;
7:4:115:2 Electric currents induced step-like resistive jumps and negative differential resistance in thin films of Nd0.7Sr0.3MnO3
DOI:10.1063/1.3675998 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Wang, J. F.;Wu, Z. P.;Gao, J.;
7:4:116:1 Influence of pressure-assisted polymerization on the microstructure and strength of polymer-infiltrated ceramics
DOI:10.1007/s10853-012-7106-7 JN:JOURNAL OF MATERIALS SCIENCE PY:2013 TC:4 AU: Steier, Volker Franco;Koplin, Christof;Kailer, Andreas;
7:4:116:2 Machinability of poly(methyl methacrylate) infiltrated zirconia hybrid composites
DOI:10.1016/j.matlet.2014.06.021 JN:MATERIALS LETTERS PY:2014 TC:0 AU: Li, Shibao;Zhao, Yimin;Zhang, Jian-Feng;Xie, Cheng;Zhao, Xinyi;
7:5:1:1 Low-field magnetoelectric effect at room temperature
DOI:10.1038/nmat2826 JN:NATURE MATERIALS PY:2010 TC:157 AU: Kitagawa, Yutaro;Hiraoka, Yuji;Honda, Takashi;Ishikura, Taishi;Nakamura, Hiroyuki;Kimura, Tsuyoshi;
7:5:1:2 Realization of Giant Magnetoelectricity in Helimagnets
DOI:10.1103/PhysRevLett.104.037204 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:48 AU: Chun, Sae Hwan;Chai, Yi Sheng;Oh, Yoon Seok;Jaiswal-Nagar, Deepshikha;Haam, So Young;Kim, Ingyu;Lee, Bumsung;Nam, Dong Hak;Ko, Kyung-Tae;Park, Jae-Hoon;Chung, Jae-Ho;Kim, Kee Hoon;
7:5:1:3 Multiferroic M-Type Hexaferrites with a Room-Temperature Conical State and Magnetically Controllable Spin Helicity
DOI:10.1103/PhysRevLett.105.257201 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:44 AU: Tokunaga, Y.;Kaneko, Y.;Okuyama, D.;Ishiwata, S.;Arima, T.;Wakimoto, S.;Kakurai, K.;Taguchi, Y.;Tokura, Y.;
7:5:1:4 Magnetic Ordering in Relation to the Room-Temperature Magnetoelectric Effect of Sr3Co2Fe24O41
DOI:10.1103/PhysRevLett.106.087201 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:32 AU: Soda, Minoru;Ishikura, Taishi;Nakamura, Hiroyuki;Wakabayashi, Yusuke;Kimura, Tsuyoshi;
7:5:1:5 Electric Field Control of Nonvolatile Four-State Magnetization at Room Temperature
DOI:10.1103/PhysRevLett.108.177201 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:27 AU: Chun, Sae Hwan;Chai, Yi Sheng;Jeon, Byung-Gu;Kim, Hyung Joon;Oh, Yoon Seok;Kim, Ingyu;Kim, Hanbit;Jeon, Byeong Jo;Haam, So Young;Park, Ju-Young;Lee, Suk Ho;Chung, Jae-Ho;Park, Jae-Hoon;Kim, Kee Hoon;
7:5:1:6 Magnetism and magnetoelectricity of a U-type hexaferrite Sr4Co2Fe36O60
DOI:10.1063/1.3593371 JN:APPLIED PHYSICS LETTERS PY:2011 TC:21 AU: Okumura, K.;Ishikura, T.;Soda, M.;Asaka, T.;Nakamura, H.;Wakabayashi, Y.;Kimura, T.;
7:5:1:7 Neutron diffraction studies on the multiferroic conical magnet Ba2Mg2Fe12O22
DOI:10.1103/PhysRevB.81.174418 JN:PHYSICAL REVIEW B PY:2010 TC:23 AU: Ishiwata, Shintaro;Okuyama, Daisuke;Kakurai, Kazuhisa;Nishi, Masakazu;Taguchi, Yasujiro;Tokura, Yoshinori;
7:5:1:8 Field-induced incommensurate-to-commensurate phase transition in the magnetoelectric hexaferrite Ba0.5Sr1.5Zn2(Fe1-xAlx)(12)O-22
DOI:10.1103/PhysRevB.83.144425 JN:PHYSICAL REVIEW B PY:2011 TC:18 AU: Lee, Hak Bong;Song, Young-Sang;Chung, Jae-Ho;Chun, Sae Hwan;Chai, Yi Sheng;Kim, Kee Hoon;Reehuis, M.;Prokes, K.;Mat'as, S.;
7:5:1:9 Converse magnetoelectric experiments on a room-temperature spirally ordered hexaferrite
DOI:10.1103/PhysRevB.86.024430 JN:PHYSICAL REVIEW B PY:2012 TC:14 AU: Ebnabbasi, Khabat;Vittoria, Carmine;Widom, Allan;
7:5:1:10 Magnetocaloric effect in multiferroic Y-type hexaferrite Ba0.5Sr1.5Zn2(Fe0.92Al0.08)(12)O-22
DOI:10.1063/1.4883235 JN:AIP ADVANCES PY:2014 TC:2 AU: Xu, Wenfei;Yang, Jing;Shen, Yude;Bai, Wei;Zhang, Yuanyuan;Liu, Jia;Tang, Kai;Wang, Zhi;Duan, Chun-Gang;Tang, Xiaodong;Chu, Junhao;
7:5:1:11 Synthesis and room temperature four-state memory prototype of Sr3Co2Fe24O41 multiferroics
DOI:10.1063/1.4753973 JN:APPLIED PHYSICS LETTERS PY:2012 TC:9 AU: Wu, Jiangtao;Shi, Zhan;Xu, Jun;Li, Nan;Zheng, Zhibin;Geng, Hao;Xie, Zhaoxiong;Zheng, Lansun;
7:5:1:12 Heliconical magnetic order and field-induced multiferroicity of the Co2Y-type hexaferrite Ba0.3Sr1.7Co2Fe12O22
DOI:10.1103/PhysRevB.86.094435 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Lee, Hak Bong;Chun, Sae Hwan;Shin, Kwang Woo;Jeon, Byung-Gu;Chai, Yi Sheng;Kim, Kee Hoon;Schefer, Juerg;Chang, Hun;Yun, Sae-Na;Joung, Tae-Young;Chung, Jae-Ho;
7:5:1:13 Magnetoelectric effects at microwave frequencies on Z-type hexaferrite
DOI:10.1063/1.4744591 JN:APPLIED PHYSICS LETTERS PY:2012 TC:10 AU: Ebnabbasi, Khabat;Mohebbi, Marjan;Vittoria, Carmine;
7:5:1:14 Low magnetic field reversal of electric polarization in a Y-type hexaferrite
DOI:10.1063/1.3697636 JN:APPLIED PHYSICS LETTERS PY:2012 TC:12 AU: Wang, Fen;Zou, Tao;Yan, Li-Qin;Liu, Yi;Sun, Young;
7:5:1:15 Magnetic field reversal of electric polarization and magnetoelectric phase diagram of the hexaferrite Ba1.3Sr0.7Co0.9Zn1.1Fe10.8Al1.2O22
DOI:10.1063/1.4862690 JN:APPLIED PHYSICS LETTERS PY:2014 TC:4 AU: Shen, Shipeng;Yan, Liqin;Chai, Yisheng;Cong, Junzhuang;Sun, Young;
7:5:1:16 Magnetoelectric effect in PbCoTiFe10O19 multiferroic ceramic
DOI:10.1016/j.ceramint.2014.07.097 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Zhou, W. P.;Wang, L. Y.;Song, Y. Q.;Fang, Y.;Wang, D. H.;Cao, Q. Q.;Du, Y. W.;
7:5:1:17 Spin reorientation transition and near room-temperature multiferroic properties in a W-type hexaferrite SrZn1.15Co0.85Fe16O27
DOI:10.1063/1.4867370 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Song, Y. Q.;Fang, Y.;Wang, L. Y.;Zhou, W. P.;Cao, Q. Q.;Wang, D. H.;Du, Y. W.;
7:5:1:18 Mutual control of magnetization and electrical polarization by electric and magnetic fields at room temperature in Y-type BaSrCo2-xZnxFe11AlO22 ceramics
DOI:10.1063/1.4862432 JN:APPLIED PHYSICS LETTERS PY:2014 TC:6 AU: Hirose, Sakyo;Haruki, Kohei;Ando, Akira;Kimura, Tsuyoshi;
7:5:1:19 Magnetic and magnetoelectric properties of Ba2-xSrxNi2Fe12O22 single crystals with Y-type hexaferrite structure
DOI:10.1063/1.3622332 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:18 AU: Hiraoka, Yuji;Nakamura, Hiroyuki;Soda, Minoru;Wakabayashi, Yusuke;Kimura, Tsuyoshi;
7:5:1:20 Al doping effect on magnetic phase transitions of magnetoelectric hexaferrite Ba0.7Sr1.3Zn2(Fe1-xAlx)(12)O-22
DOI:10.1103/PhysRevB.85.064402 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Chang, Hun;Lee, Hak Bong;Song, Young-Sang;Chung, Jae-Ho;Kim, S. A.;Oh, I. H.;Reehuis, M.;Schefer, J.;
7:5:1:21 Giant magnetoresistance due to magnetoelectric currents in Sr3Co2Fe24O41 hexaferrites
DOI:10.1063/1.4896326 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Wang, Xian;Su, Zhijuan;Sokolov, Alexander;Hu, Bolin;Andalib, Parisa;Chen, Yajie;Harris, Vincent G.;
7:5:1:22 Analysis of the alternating current conductivity and magnetic behaviors for the polycrystalline Y-type Ba0.5Sr1.5Co2(Fe1-xAlx)(12)O-22 hexaferrites
DOI:10.1063/1.4903835 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Wu, M. X.;Zhong, W. J.;Gao, X. S.;Liu, L. J.;Liu, Z. W.;
7:5:1:23 Lattice modulation induced by magnetic order in the magnetoelectric helimagnet Ba0.5Sr1.5Zn2Fe12O22
DOI:10.1103/PhysRevB.83.130401 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Asaka, T.;Yu, X. Z.;Hiraoka, Y.;Kimoto, K.;Hirayama, T.;Kimura, T.;Matsui, Y.;
7:5:1:24 Multilevel magnetization switching by electric field in c-axis oriented polycrystalline Z-type hexaferrite
DOI:10.1063/1.4816268 JN:APPLIED PHYSICS LETTERS PY:2013 TC:8 AU: Okumura, K.;Haruki, K.;Ishikura, T.;Hirose, S.;Kimura, T.;
7:5:1:25 Growth of M-type hexaferrite thin films with conical magnetic structure
DOI:10.1063/1.4776223 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Borisov, P.;Alaria, J.;Yang, T.;McMitchell, S. R. C.;Rosseinsky, M. J.;
7:5:1:26 Structural, dielectric, magnetic, and nuclear magnetic resonance studies of multiferroic Y-type hexaferrites
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7:5:1:27 Electric polarization of magnetic textures: New horizons of micromagnetism
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7:5:1:28 TRANSITION-METAL OXIDES Resistance is not futile
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7:5:1:29 Tensor properties of the magnetoelectric coupling in hexaferrites
DOI:10.1103/PhysRevB.89.134413 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Vittoria, Carmine;Somu, Sivasubramanian;Widom, Allan;
7:5:1:30 The effects of Co-Ti co-doping on the magnetic, electrical, and magnetodielectric behaviors of M-type barium hexaferrites
DOI:10.1063/1.4860948 JN:AIP ADVANCES PY:2013 TC:2 AU: Guan, Yujie;Lin, Yuanbin;Zou, Liangying;Miao, Qing;Zeng, Min;Liu, Zhongwu;Gao, Xingsen;Liu, Junming;
7:5:1:31 Magnetodielectric effect in Z-type hexaferrite
DOI:10.1063/1.3677672 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Zhang, X.;Zhao, Y. G.;Cui, Y. F.;Ye, L. D.;Wang, J. W.;Zhang, S.;Zhang, H. Y.;Zhu, M. H.;
7:5:1:32 Spin Structures and Domain Walls in Multiferroics Spin Structures and Magnetic Domain Walls in Multiferroics
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7:5:1:33 Magnetic properties of Zn doped Co2Y hexaferrite by using high-field Mossbauer spectroscopy
DOI:10.1063/1.4865879 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Lim, Jung Tae;Kim, Chul Sung;
7:5:1:34 Magnetic fan structures in Ba0.5Sr1.5Zn2Fe12O22 hexaferrite revealed by resonant soft x-ray diffraction
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7:5:1:35 Investigation of magnetic properties of non-magnetic ion (Al, Ga, In) doped Ba2Mg0.5Co1.5Fe12O22
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7:5:1:36 Performance of Z-type hexagonal ferrite core under demagnetizing and external static fields
DOI:10.1063/1.3457224 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:9 AU: Kato, Tomotsugu;Mikami, Hideto;Noguchi, Shin;
7:5:1:37 Dielectric, magnetic, and lattice dynamics properties of Y-type hexaferrite Ba0.5Sr1.5Zn2Fe12O22: Comparison of ceramics and single crystals
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7:5:1:38 Strong magnetoelectric coupling in hexaferrites at room temperature
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7:5:1:39 First observation of magnetoelectric effect in M-type hexaferrite thin films
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7:5:1:40 Investigation of site preference of Zn doped Ba3Co2-xZnxFe24O41 by Mossbauer spectroscopy
DOI:10.1063/1.4861676 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Lim, Jung Tae;Kim, Chul Sung;
7:5:1:41 Magnetic properties of Ni substituted Y-type barium ferrite
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7:5:1:42 Fe-57 NMR study of the magnetoelectric hexaferrite Ba0.5Sr1.5Zn2Fe12O22 and Ba0.5Sr1.5Zn2(Fe0.92Al0.08)(12)O-22
DOI:10.1103/PhysRevB.88.064404 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Kwon, Sangil;Yoon, Dong Young;Lee, Soonchil;Chai, Yi Sheng;Chun, Sae Hwan;Kim, Kee Hoon;
7:5:1:43 Effect of Ni substitution on Y-type barium ferrite
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7:5:1:44 Spin-phonon coupling in multiferroic Ba1.6Sr1.4CO2Fe24O41
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7:5:1:45 Magnetic and Dielectric Properties in Multiferroic Y-type Hexaferrite
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7:5:1:46 Room temperature magnetoelectric effects in bulk poly-crystalline materials of M- and Z-type hexaferrites
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7:5:1:47 Magnetic properties and Fe-57 NMR studies of U-type hexaferrites
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7:5:1:48 Synthesis of single-phase Sr3Co2Fe24O41 Z-type ferrite by polymerizable complex method
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7:5:1:49 Multi-domain resonance in textured Z-type hexagonal ferrite
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7:5:1:50 Magnetic and microwave properties of ferrimagnetic Zr-substituted Ba2Zn2Fe12O22 (Zn-Y) single crystals
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7:5:1:51 Magneto-electric effects on Sr Z-type hexaferrite at room temperature
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7:5:1:52 The crystal structure and magnetic properties of Ba2-xSrxCo2Fe12O22
DOI:10.1063/1.4866892 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Cho, Kwang Lae;Rhee, Chan Hyuk;Kim, Chul Sung;
7:5:1:53 Enhancement of Curie temperature of barium hexaferrite by dense electronic excitations
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7:5:1:54 Micromagnetic simulations of magnetoelectric materials
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7:5:1:55 Growth of Y-type hexaferrite thin films by alternating target laser ablation deposition
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7:5:1:56 Realization of Giant Magnetoelectricity in Helimagnets (vol 104, art no 037204 , 2010)
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7:5:1:57 Lattice modulation induced by magnetic order in the magnetoelectric helimagnet Ba0.5Sr1.5Zn2Fe12O22 (vol 83, 130401, 2011)
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7:5:1:58 Al doping effect on magnetic phase transitions of magnetoelectric hexaferrite Ba0.7Sr1.3Zn2(Fe1-xAlx)(12)O-22 (vol 85, 064402, 2012)
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7:5:1:59 Mutual control of magnetization and electrical polarization by electric and magnetic fields at room temperature in Y-type BaSrCo2-xZnx Fe11AlO22 ceramics" (vol 104, 022907, 2014)
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7:5:1:60 Numerical simulation of wave propagation in Y- and Z-type hexaferrites for high frequency applications
DOI:10.1063/1.3338970 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:1 AU: Wang, J. W.;Geiler, A. L.;Harris, V. G.;Vittoria, C.;
7:5:1:61 Internal magnetic fields in submicron particles of barium hexaferrite detected by Fe-57 NMR
DOI:10.1016/j.jmmm.2009.04.002 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:8 AU: Stepankova, Helena;Kouril, Karel;Chlan, Vojtech;Goernert, Peter;Mueller, Robert;Stepanek, Josef;
7:5:1:62 The effect of externally applied uniaxial compressive stress on the magnetic properties of power MnZn-ferrites
DOI:10.1007/s10853-013-7183-2 JN:JOURNAL OF MATERIALS SCIENCE PY:2013 TC:3 AU: Tsakaloudi, V.;Holz, D.;Zaspalis, V.;
7:5:2:1 Charge Order in LuFe2O4: An Unlikely Route to Ferroelectricity
DOI:10.1103/PhysRevLett.108.187601 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:24 AU: de Groot, J.;Mueller, T.;Rosenberg, R. A.;Keavney, D. J.;Islam, Z.;Kim, J. -W.;Angst, M.;
7:5:2:2 Competing Ferri- and Antiferromagnetic Phases in Geometrically Frustrated LuFe2O4
DOI:10.1103/PhysRevLett.108.037206 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:21 AU: de Groot, J.;Marty, K.;Lumsden, M. D.;Christianson, A. D.;Nagler, S. E.;Adiga, S.;Borghols, W. J. H.;Schmalzl, K.;Yamani, Z.;Bland, S. R.;de Souza, R.;Staub, U.;Schweika, W.;Su, Y.;Angst, M.;
7:5:2:3 Lattice dynamical probe of charge order and antipolar bilayer stacking in LuFe2O4
DOI:10.1103/PhysRevB.82.014304 JN:PHYSICAL REVIEW B PY:2010 TC:21 AU: Xu, X. S.;de Groot, J.;Sun, Q. -C.;Sales, B. C.;Mandrus, D.;Angst, M.;Litvinchuk, A. P.;Musfeldt, J. L.;
7:5:2:4 Strong local lattice instability in hexagonal ferrites RFe2O4 (R = Lu, Y, Yb) revealed by x-ray absorption spectroscopy
DOI:10.1103/PhysRevB.89.045129 JN:PHYSICAL REVIEW B PY:2014 TC:3 AU: Lafuerza, Sara;Garcia, Joaquin;Subias, Gloria;Blasco, Javier;Cuartero, Vera;
7:5:2:5 Origin of the colossal dielectric permittivity and magnetocapacitance in LuFe2O4
DOI:10.1063/1.3560564 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:24 AU: Ren, P.;Yang, Z.;Zhu, W. G.;Huan, C. H. A.;Wang, L.;
7:5:2:6 Dielectric Properties of Charge-Ordered LuFe2O4 Revisited: The Apparent Influence of Contacts
DOI:10.1103/PhysRevLett.109.016405 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:23 AU: Niermann, D.;Waschkowski, F.;de Groot, J.;Angst, M.;Hemberger, J.;
7:5:2:7 Charge and spin ordering in the mixed-valence compound LuFe2O4
DOI:10.1103/PhysRevB.81.134417 JN:PHYSICAL REVIEW B PY:2010 TC:17 AU: Harris, A. B.;Yildirim, T.;
7:5:2:8 Intrinsic electrical properties of LuFe2O4
DOI:10.1103/PhysRevB.88.085130 JN:PHYSICAL REVIEW B PY:2013 TC:7 AU: Lafuerza, Sara;Garcia, Joaquin;Subias, Gloria;Blasco, Javier;Conder, Kazimierz;Pomjakushina, Ekaterina;
7:5:2:9 Robust charge and magnetic orders under electric field and current in multiferroic LuFe2O4
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7:5:2:10 Ferroelectric charge order stabilized by antiferromagnetism in multiferroic LuFe2O4
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7:5:2:11 Evidence of oxygen-dependent modulation in LuFe2O4
DOI:10.1103/PhysRevB.85.064102 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Bourgeois, J.;Hervieu, M.;Poienar, M.;Abakumov, A. M.;Elkaim, E.;Sougrati, M. T.;Porcher, F.;Damay, F.;Rouquette, J.;Van Tendeloo, G.;Maignan, A.;Haines, J.;Martin, C.;
7:5:2:12 Determination of the sequence and magnitude of charge order in LuFe2O4 by resonant x-ray scattering
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7:5:2:13 Electro-optical effects and temperature-dependent electrical properties of LuFe2O4 thin films
DOI:10.1016/j.tsf.2014.04.022 JN:THIN SOLID FILMS PY:2014 TC:0 AU: Cai, Bo;Nakarmi, Mim L.;Franks, Brandon S.;Rai, Ram C.;
7:5:2:14 Infrared study of the charge-ordered multiferroic LuFe2O4
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7:5:2:15 Structural properties in RFe2O4 compounds (R = Tm, Yb, and Lu)
DOI:10.1103/PhysRevB.90.094119 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Blasco, J.;Lafuerza, S.;Garcia, J.;Subias, G.;
7:5:2:16 Evolution of charge order through the magnetic phase transition of LuFe2O4
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7:5:2:17 Charge gap and charge-phonon coupling in LuFe2O4
DOI:10.1103/PhysRevB.87.144416 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Glamazda, A.;Choi, K. -Y.;Lemmens, P.;Wulferding, D.;Park, S.;Cheong, S. -W.;
7:5:2:18 Pressure effect on the magnetic order of LuFe2O4
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7:5:2:19 Electronic transport and I-V characteristics of polycrystalline LuFe2O4
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7:5:2:20 Growth diagram and magnetic properties of hexagonal LuFe2O4 thin films
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7:5:2:21 Stoichiometric YFe2O4 (-) (delta) single crystals grown by the optical floating zone method
DOI:10.1016/j.jcrysgro.2015.07.015 JN:JOURNAL OF CRYSTAL GROWTH PY:2015 TC:0 AU: Mueller, Thomas;de Groot, Joost;Strempfer, Joerg;Angst, Manuel;
7:5:2:22 Pressure-Induced Structural Transition in LuFe2O4: Towards a New Charge Ordered State
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7:5:2:23 Interplay between R 4f and Fe 3d states in charge-ordered RFe2O4 (R = Er, Tm, Lu)
DOI:10.1103/PhysRevB.87.184409 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Kim, D. H.;Hwang, Jihoon;Lee, Eunsook;Kim, J.;Lee, B. W.;Lee, Han-Koo;Kim, J. -Y.;Han, W.;Hong, S. C.;Kang, Chang-Jong;Min, B. I.;Kang, J. -S.;
7:5:2:24 Nonlinear transport properties and Joule heating effect in charge ordered LuFe2O4
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7:5:2:25 The adsorption-controlled growth of LuFe2O4 by molecular-beam epitaxy
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7:5:2:26 Magnetoelectric Effect Driven by Magnetic Domain Modification in LuFe2O4
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7:5:2:27 Effect of structural distortion on ferrimagnetic order in Lu1-xLxFe2O4 (L=Y and Er; x=0.0, 0.1, and 0.5)
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7:5:2:28 Infrared and transport properties of LuFe2O4 under electric fields
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7:5:2:29 Evidence of magnetic phase separation in LuFe2O4
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7:5:2:30 Pressure effects on multiferroic LuFe2O4
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7:5:2:31 Microstructure and oxidation states in multiferroic Lu-2(Fe,Mn)(3)O-7
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7:5:2:32 Oxygen storage capacity and structural flexibility of LuFe2O4+x C x ( 0 <= x <= 0.5)
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7:5:2:33 Structural and dielectric properties of LuFe2O4 thin films grown by pulsed-laser deposition
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7:5:2:34 Observations of charge-ordered and magnetic domains in LuFe2O4 using transmission electron microscopy
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7:5:2:35 Helical scattering signatures of strain and electronic textures in YbFe2O4 from three-dimensional reciprocal-space imaging
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7:5:2:36 Preparation, Dielectric, and Magnetic Characteristics of LuFe2O4 Ceramics
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7:5:2:37 Infrared optical response of LuFe2O4 under dc electric field
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7:5:2:38 Spin-charge-orbital coupling in multiferroic LuFe2O4 thin films
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7:5:2:39 Nonlinear Electric Conductivity of Charge Ordered System RFe2O4 (R = Lu, Yb)
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7:5:2:40 Extrinsic and intrinsic nonlinear current-voltage characteristics in charge ordered oxides
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7:5:2:41 Oxygen stoichiometry and magnetic properties of LuFe2O4+delta
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7:5:2:42 Temperature Dependent Relaxation Behavior of Polycrystralline LuFe2O4 Studied By Dielectric Spectroscopy
DOI:10.1080/10584587.2013.787839 JN:INTEGRATED FERROELECTRICS PY:2013 TC:0 AU: Han, Ruobing;Wang, Zhihong;Dai, Chao;
7:5:2:43 Tunable dielectric properties in Mn-doped LuFe2O4 system
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7:5:2:44 Dielectric tunability and magnetoelectric coupling in LuFe2O4 epitaxial thin film deposited by pulsed-laser deposition
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7:5:2:45 Multiferroic Character and Magnetic Phase of LuFe2O4
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7:5:2:46 Dielectric, Ferroelectric, and Magnetic Characteristics of LuFeCuO4 Ceramics
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7:5:2:47 Dielectric and magnetic characteristics of LuFeMgO4 ceramics
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7:5:2:48 Direct observation of low-temperature superstructure in spin-and charge-frustrated ferrite YFe2O4-delta
DOI:10.1103/PhysRevB.82.184119 JN:PHYSICAL REVIEW B PY:2010 TC:3 AU: Horibe, Y.;Ikeda, N.;Yoshii, K.;Mori, S.;
7:5:2:49 Charge and spin ordering in the mixed-valence compound LuFe2O4 (vol 81, 134417, 2010)
DOI:10.1103/PhysRevB.82.029902 JN:PHYSICAL REVIEW B PY:2010 TC:0 AU: Harris, A. B.;Yildirim, T.;
7:5:2:50 Infrared optical response of LuFe2O4 under dc electric field (vol 85, 014303, 2012)
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7:5:2:51 Electric Field Response of Stoichiometric LuFe2O4
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7:5:2:52 Study of LuFe2O4 Thin Film Growth and Its Structural and Multiferroic Properties
DOI:10.1080/10584587.2012.660803 JN:INTEGRATED FERROELECTRICS PY:2012 TC:0 AU: Dai, J. Y.;Liu, J.;
7:5:2:53 Charge ordering in PrCuMn6O12 and its behavior under pressure
DOI:10.1063/1.3294608 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:2 AU: Zhang, W.;Yao, L. D.;Yang, L. X.;Liu, Z. X.;Jin, C. Q.;Yu, R. C.;
7:5:2:54 Pressure-Induced Structural Transition in LuFe2O4: Towards a New Charge Ordered State (vol 105, 237203, 2010)
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7:5:2:55 Temperature-dependent piezoelectric and dielectric properties of charge-ordered Lu2Fe2.1Mn0.9O7
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7:5:3:1 Perovskite manganites hosting versatile multiferroic phases with symmetric and antisymmetric exchange strictions
DOI:10.1103/PhysRevB.81.100411 JN:PHYSICAL REVIEW B PY:2010 TC:57 AU: Ishiwata, Shintaro;Kaneko, Yoshio;Tokunaga, Yusuke;Taguchi, Yasujiro;Arima, Taka-hisa;Tokura, Yoshinori;
7:5:3:2 Spin Model of Magnetostrictions in Multiferroic Mn Perovskites
DOI:10.1103/PhysRevLett.105.037205 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:46 AU: Mochizuki, Masahito;Furukawa, Nobuo;Nagaosa, Naoto;
7:5:3:3 Theory of spin-phonon coupling in multiferroic manganese perovskites RMnO3
DOI:10.1103/PhysRevB.84.144409 JN:PHYSICAL REVIEW B PY:2011 TC:23 AU: Mochizuki, Masahito;Furukawa, Nobuo;Nagaosa, Naoto;
7:5:3:4 Magnetically driven ferroelectric atomic displacements in orthorhombic YMnO3
DOI:10.1103/PhysRevB.84.054440 JN:PHYSICAL REVIEW B PY:2011 TC:23 AU: Okuyama, D.;Ishiwata, S.;Takahashi, Y.;Yamauchi, K.;Picozzi, S.;Sugimoto, K.;Sakai, H.;Takata, M.;Shimano, R.;Taguchi, Y.;Arima, T.;Tokura, Y.;
7:5:3:5 Effects of holmium substitution on multiferroic properties in Tb0.67Ho0.33MnO3
DOI:10.1063/1.4792526 JN:APPLIED PHYSICS LETTERS PY:2013 TC:13 AU: Staruch, M.;Lawes, G.;Kumarasiri, A.;Cotica, L. F.;Jain, M.;
7:5:3:6 Origin of the Large Polarization in Multiferroic YMnO3 Thin Films Revealed by Soft- and Hard-X-Ray Diffraction
DOI:10.1103/PhysRevLett.108.047203 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:21 AU: Wadati, H.;Okamoto, J.;Garganourakis, M.;Scagnoli, V.;Staub, U.;Yamasaki, Y.;Nakao, H.;Murakami, Y.;Mochizuki, M.;Nakamura, M.;Kawasaki, M.;Tokura, Y.;
7:5:3:7 Ferroelectricity of polycrystalline GdMnO3 and multifold magnetoelectric responses
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7:5:3:8 Mechanism of exchange striction of ferroelectricity in multiferroic orthorhombic HoMnO3 single crystals
DOI:10.1103/PhysRevB.84.020101 JN:PHYSICAL REVIEW B PY:2011 TC:20 AU: Lee, N.;Choi, Y. J.;Ramazanoglu, M.;Ratcliff, W., II;Kiryukhin, V.;Cheong, S. -W.;
7:5:3:9 Magnetic switch of polarization in epitaxial orthorhombic YMnO3 thin films
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7:5:3:10 Ho substitution suppresses collinear Dy spin order and enhances polarization in DyMnO3
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7:5:3:11 Strain-Induced Ferromagnetism in Antiferromagnetic LuMnO3 Thin Films
DOI:10.1103/PhysRevLett.111.037201 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:10 AU: White, J. S.;Bator, M.;Hu, Y.;Luetkens, H.;Stahn, J.;Capelli, S.;Das, S.;Doebeli, M.;Lippert, Th.;Malik, V. K.;Martynczuk, J.;Wokaun, A.;Kenzelmann, M.;Niedermayer, Ch.;Schneider, C. W.;
7:5:3:12 Multiferroicity and phase transitions in Tm-substituted GdMnO3
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7:5:3:13 Coexistence of two cycloid-phases in multiferroic RMnO3: Consequence of the next-nearest-neighbor spin interaction modulations
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7:5:3:14 Cycloidal Order of 4f Moments as a Probe of Chiral Domains in DyMnO3
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7:5:3:15 Coupled Magnetic Cycloids in Multiferroic TbMnO3 and Eu3/4Y1/4MnO3
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7:5:3:16 Multiferroicity in an orthorhombic YMnO3 single-crystal film
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7:5:3:17 Uniaxial strain-induced magnetic order transition from E-type to A-type in orthorhombic YMnO3 from first-principles
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7:5:3:18 Multiferroic Properties of o-LuMnO3 Controlled by b-Axis Strain
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7:5:3:19 Multiferroic phase diagram of Y partially substituted Dy1-xYxMnO3
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7:5:3:20 High-Pressure Hydrothermal Crystal Growth and Multiferroic Properties of a Perovskite YMnO3
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7:5:3:21 Ferroelectric ground state and polarization-switching path of orthorhombic YMnO3 with coexisting E-type and cycloidal spin phases
DOI:10.1103/PhysRevB.88.014116 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Lee, Jung-Hoon;Song, Seungwoo;Jang, Hyun Myung;
7:5:3:22 Electromagnons in the multiferroic state of perovskite manganites with symmetric exchange striction
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7:5:3:23 Magnetic and electronic orderings in orthorhombic RMnO3 (R = Tm, Lu) studied by resonant soft x-ray powder diffraction
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7:5:3:24 Effects of strain on ferroelectric polarization and magnetism in orthorhombic HoMnO3
DOI:10.1103/PhysRevB.87.014403 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Iusan, Diana;Yamauchi, Kunihiko;Barone, Paolo;Sanyal, Biplab;Eriksson, Olle;Profeta, Gianni;Picozzi, Silvia;
7:5:3:25 Effect of the synthesis atmosphere on the magnetic and structural properties of TbMnO3 multiferroic polycrystals
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7:5:3:26 Strain-driven transition from E-type to A-type magnetic order in YMnO3 epitaxial films
DOI:10.1103/PhysRevB.86.024420 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Jimenez-Villacorta, F.;Gallastegui, J. A.;Fina, I.;Marti, X.;Fontcuberta, J.;
7:5:3:27 Effect of B-site Al-doping on electric polarization in DyMnO3
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7:5:3:28 Stability of multiferroicity against Dy/Mn off-stoichiometry in DyMnO3
DOI:10.1063/1.4868075 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Wang, J. X.;Liu, M. F.;Zhao, Z. Y.;Yan, Z. B.;Liu, J. -M.;
7:5:3:29 Intrinsic ferroelectric polarization of orthorhombic manganites with E-type spin order
DOI:10.1103/PhysRevB.85.184406 JN:PHYSICAL REVIEW B PY:2012 TC:10 AU: Chai, Y. S.;Oh, Y. S.;Wang, L. J.;Manivannan, N.;Feng, S. M.;Yang, Y. S.;Yan, L. Q.;Jin, C. Q.;Kim, Kee Hoon;
7:5:3:30 The electrical and magnetic properties of epitaxial orthorhombic YMnO3 thin films grown under various oxygen pressures
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7:5:3:31 Enhanced polarization and magnetoelectric response in Tb1-x Ho (x) MnO3
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7:5:3:32 Experimental and ab initio investigations of the x-ray absorption near edge structure of orthorhombic LuMnO3
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7:5:3:33 Investigation on the pyroelectric property of polycrystalline GdMnO3
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7:5:3:34 MOCVD selective growth of orthorhombic or hexagonal YMnO3 phase on Si(100) substrate
DOI:10.1016/j.apsusc.2014.01.090 JN:APPLIED SURFACE SCIENCE PY:2014 TC:3 AU: Iliescu, I.;Boudard, M.;Rapenne, L.;Chaix-Pluchery, O.;RousselLaboratoire, H.;
7:5:3:35 Enhanced ferroelectricity in orthorhombic manganites Gd1-xHoxMnO3
DOI:10.1063/1.3535543 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Zhang, G. Q.;Luo, S. J.;Dong, S.;Gao, Y. J.;Wang, K. F.;Liu, J. -M.;
7:5:3:36 Lattice distortion and strain relaxation in epitaxial thin films of multiferroic TbMnO3 probed by X-ray diffractometry and micro-Raman spectroscopy
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7:5:3:37 Magnetic switch of polarization in epitaxial orthorhombic YMnO3 thin films (vol 97, 232905, 2010)
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7:5:3:38 Effects of holmium substitution on multiferroic properties in Tb0.67Ho0.33MnO3 (vol 102, 062908, 2013)
DOI:10.1063/1.4870403 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Staruch, M.;Lawes, G.;Kumarasiri, A.;Cotica, L. F.;Jain, M.;
7:5:3:39 Enhanced dielectric and ferroelectric properties of BaTiO3 ceramics prepared by microwave assisted radiant hybrid sintering
DOI:10.1016/j.ceramint.2014.01.039 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Reddy, V. Raghavendra;Upadhyaya, Sanjay Kumar;Gupta, Ajay;Awasthi, Anand M.;Hussain, Shamima;
7:5:3:40 Large magneto (thermo) dielectric effect in multiferroic orthorhombic LuMnO3
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7:5:4:1 Ordering process and ferroelectricity in a spinel derived from FeV2O4
DOI:10.1103/PhysRevB.85.054405 JN:PHYSICAL REVIEW B PY:2012 TC:17 AU: Zhang, Q.;Singh, K.;Guillou, F.;Simon, C.;Breard, Y.;Caignaert, V.;Hardy, V.;
7:5:4:2 Spin and orbital order in the vanadium spinel MgV2O4
DOI:10.1103/PhysRevB.82.140406 JN:PHYSICAL REVIEW B PY:2010 TC:28 AU: Wheeler, Elisa M.;Lake, Bella;Islam, A. T. M. Nazmul;Reehuis, Manfred;Steffens, Paul;Guidi, Tatiana;Hill, Adrian H.;
7:5:4:3 Dielectric properties and magnetostriction of the collinear multiferroic spinel CdV2O4
DOI:10.1103/PhysRevB.83.060402 JN:PHYSICAL REVIEW B PY:2011 TC:31 AU: Giovannetti, G.;Stroppa, A.;Picozzi, S.;Baldomir, D.;Pardo, V.;Blanco-Canosa, S.;Rivadulla, F.;Jodlauk, S.;Niermann, D.;Rohrkamp, J.;Lorenz, T.;Streltsov, S.;Khomskii, D. I.;Hemberger, J.;
7:5:4:4 Quantum 120 degrees model on pyrochlore lattice: Orbital ordering in MnV2O4
DOI:10.1103/PhysRevB.81.125127 JN:PHYSICAL REVIEW B PY:2010 TC:18 AU: Chern, Gia-Wei;Perkins, Natalia;Hao, Zhihao;
7:5:4:5 Magnetic order and ice rules in the multiferroic spinel FeV2O4
DOI:10.1103/PhysRevB.86.060414 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: MacDougall, G. J.;Garlea, V. O.;Aczel, A. A.;Zhou, H. D.;Nagler, S. E.;
7:5:4:6 Critical behavior of spinel MnV2O4 investigated by dc-magnetization
DOI:10.1063/1.4884339 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Zhang, Lei;Han, Hui;Qu, Zhe;Fan, Jiyu;Ling, Langsheng;Zhang, Changjin;Pi, Li;Zhang, Yuheng;
7:5:4:7 Strain effects in epitaxial FeV2O4 thin films fabricated by pulsed laser deposition
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7:5:4:8 Magnetic excitations and anomalous spin-wave broadening in multiferroic FeV2O4
DOI:10.1103/PhysRevB.89.224416 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Zhang, Qiang;Ramazanoglu, Mehmet;Chi, Songxue;Liu, Yong;Lograsso, Thomas A.;Vaknin, David;
7:5:4:9 Orbital structures in spinel vanadates AV(2)O(4) (A = Fe, Mn)
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7:5:4:10 Magnon spectra and strong spin-lattice coupling in magnetically frustrated MnB2O4 (B = Mn,V): Inelastic light-scattering studies
DOI:10.1103/PhysRevB.89.134402 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Gleason, S. L.;Byrum, T.;Gim, Y.;Thaler, A.;Abbamonte, P.;MacDougall, G. J.;Martin, L. W.;Zhou, H. D.;Cooper, S. L.;
7:5:4:11 Orbital ordering in FeV2O4: Spinel with two orbitally active sites
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7:5:4:12 Dielectric properties of single crystal spinels in the series FeV2O4, MnV2O4, and CoV2O4 in high magnetic fields
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7:5:4:13 Orbital-spin-coupled fluctuations in spinel vanadate MnV2O4
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7:5:4:14 Observation of the large magnetocaloric effect and suppression of orbital entropy change in Fe-doped MnV2O4
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7:5:4:15 Co[V-2]O-4: A Spinel Approaching the Itinerant Electron Limit
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7:5:4:16 Magnons and a two-component spin gap in FeV2O4
DOI:10.1103/PhysRevB.89.224404 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: MacDougall, G. J.;Brodsky, I.;Aczel, A. A.;Garlea, V. O.;Granroth, G. E.;Christianson, A. D.;Hong, T.;Zhou, H. D.;Nagler, S. E.;
7:5:4:17 Magnetic Field Induced Transition in Vanadium Spinels
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7:5:4:18 Valence states and spin structure of spinel FeV2O4 with different orbital degrees of freedom
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7:5:4:19 Chemical pressure effects on structural, magnetic, and transport properties of Mn1-xCoxV2O4
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7:5:4:20 Fe3+ doping effects on the structure and multiferroicity of Fe1+xV2-xO4 (0 <= x <= 0.4) spinels
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7:5:4:21 Orbital Disorder Induced by Charge Fluctuations in Vanadium Spinels
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7:5:4:22 Magnetic susceptibility and specific heat of a spinel MnV2O4 single crystal
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7:5:4:23 Change of the optical conductivity spectra with orbital and spin ordering in spinel MnV2O4
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7:5:4:24 Observation of the large orbital entropy in Zn-doped orbital-spin-coupled system MnV2O4
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7:5:4:25 Appearance of magnetization jumps in magnetic hysteresis curves in spinel oxide FeV2O4
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7:5:4:26 Evolution of phonon Raman spectra with orbital ordering in spinel MnV2O4
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7:5:4:27 Evolution of magnetic and structural transitions and enhancement of magnetocaloric effect in Fe1-xMnx V2O4
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7:5:4:28 Critical behavior of spinel vanadate MnV1.95Al0.05O4
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7:5:4:29 Orbital ordering in the geometrically frustrated MgV2O4: Ab initio electronic structure calculations
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7:5:4:30 Orbital fluctuations in spinel Mn(V1-xAlx)(2)O-4 studied by thermal conductivity measurements
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7:5:4:31 Infrared phonon anomalies and orbital ordering in single-crystalline MnV2O4 spinel
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7:5:4:32 Direct observation of orbital ordering in the spinel oxide FeCr2O4 through electrostatic potential using convergent-beam electron diffraction
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7:5:4:33 Nonmonotonic evolution of the charge gap in ZnV2O4 under pressure
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7:5:4:34 Photoinduced dynamics in spinel and pyrochlore vanadates as Mott-Hubbard insulators with magnetic ordering
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7:5:4:35 Soft x-ray magnetic circular dichroism study of valence and spin states in FeT2O4 (T = V, Cr) spinel oxides
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7:5:4:36 Large reversible magnetocaloric effect in spinel MnV2O4 with minimal Al substitution
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7:5:4:37 Magnetic domain structure in the orbital-spin-coupled system MnV2O4
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7:5:4:38 Exchange constants and spin waves of the orbital-ordered noncollinear spinel MnV2O4
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7:5:4:39 Effect of pressure on the electronic and magnetic properties of CdV2O4: Density functional theory studies
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7:5:4:40 Dynamic spin correlations in the frustrated cubic phase of MnV2O4
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7:5:4:41 TEM studies of domain formation mechanisms in MnV2O4
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7:5:4:42 Effect of Zn doping on the magneto-caloric effect and critical constants of Mott insulator MnV2O4
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7:5:4:43 Effects of applied pressure in ZnV2 O-4 and evidences for a dimerized structure
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7:5:4:44 The micromagnetic study of the vanadate spinel MnV2O4
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7:5:4:45 A-Type Antiferro-Orbital Ordering with I4(1)/a Symmetry and Geometrical Frustration in the Spinel Vanadate MgV2O4
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7:5:4:46 Magnetic shape memory effect in orbital-spin-coupled system MnV2O4
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7:5:5:1 Near-Room-Temperature Colossal Magnetodielectricity and Multiglass Properties in Partially Disordered La2NiMnO6
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7:5:5:2 Dielectric, Ferromagnetic Characteristics, and Room-Temperature Magnetodielectric Effects in Double Perovskite La2CoMnO6 Ceramics
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7:5:5:3 Preparation, characterization and dielectric tunability of La2NiMnO6 ceramics
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7:5:5:4 Magnetism driven ferroelectricity above liquid nitrogen temperature in Y2CoMnO6
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7:5:5:5 Dielectric and Magnetodielectric Properties of R2NiMnO6 (R = Nd, Eu, Gd, Dy, and Y)
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7:5:5:6 Spin-phonon coupling in Gd(Co1/2Mn1/2)O-3 perovskite
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7:5:5:7 Multiferroic behavior in the double-perovskite Lu2MnCoO6
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7:5:5:8 Magnetic and dielectric properties of sol-gel derived nanoparticles of double perovskite Y2NiMnO6
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7:5:5:9 Magnetic entropy change and critical exponents in double perovskite Y2NiMnO6
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7:5:5:10 Griffiths phase-like behavior and spin-phonon coupling in double perovskite Tb2NiMnO6
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7:5:5:11 Magnetic and dielectric properties of metamagnetic TbCo0.5Mn0.5O3.07 ceramics
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7:5:5:12 Theoretical prediction of multiferroicity in double perovskite Y2NiMnO6
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7:5:5:13 Electronic structure and phonons in La2CoMnO6: A ferromagnetic insulator driven by Coulomb-assisted spin-orbit coupling
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7:5:5:14 Strain control of orbital polarization and correlated metal-insulator transition in La2CoMnO6 from first principles
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7:5:5:15 Giant zero field cooled spontaneous exchange bias effect in phase separated La1.5Sr0.5CoMnO6
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7:5:5:16 Spin-phonon coupling in BaFe12O19 M-type hexaferrite
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7:5:5:17 Griffiths phase, spin-phonon coupling, and exchange bias effect in double perovskite Pr2CoMnO6
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7:5:5:18 Spin-phonon coupling in Y2NiMnO6 double perovskite probed by Raman spectroscopy
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7:5:5:19 Synthesis of nanocrystalline LaMn0.5Fe0.5O3 powders via a PVA sol-gel route
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7:5:5:20 Magnetodielectric behavior in La2CoMnO6 nanoparticles
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7:5:5:21 Dielectric relaxations in La2NiMnO6 with signatures of Griffiths phase
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7:5:5:22 Re-entrant spin glass behaviour and magneto-dielectric effect in insulating Sm2NiMnO6 double perovskite
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7:5:5:23 The giant dielectric tunability effect in bulk Y2NiMnO6 around room temperature
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7:5:5:24 Electronic and magnetic properties of La2NiMnO6 and La2CoMnO6 with cationic ordering
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7:5:5:25 The giant dielectric constant and tunable properties of La2NiMnO6-xMgO ceramics
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7:5:5:26 Colossal magnetoresistance in the double perovskite oxide La2CoMnO6
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7:5:5:27 Observation of spin glass state in weakly ferromagnetic Sr2FeCoO6 double perovskite
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7:5:5:28 Atomic and electronic structure of La2CoMnO6 on SrTiO3 and LaAlO3 substrates from first principles
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7:5:5:29 Reentrant cluster glass behavior in La2CoMnO6 nanoparticles
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7:5:5:30 B-site ordering induced suppression of magnetic cluster glass and dielectric anomaly in La2-xBixCoMnO6
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7:5:5:31 Evaluation of the intrinsic magneto-dielectric coupling in LaMn0.5Co0.5O3 single crystals
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7:5:5:32 Strong ferromagnetic-dielectric coupling in multiferroic Lu2CoMnO6 single crystals
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7:5:5:33 Structure, magnetic, and dielectric properties of La2Ni(Mn1-xTix)O-6 ceramics
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7:5:5:34 The effect of Ca-substitution in La-site on the magnetic properties of La2CoMnO6
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7:5:5:35 Influence of bismuth on the magnetic & electrical properties of La2MnNiO6
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7:5:5:36 Collective vibrational modes, x-ray photoemission spectra, and dielectric susceptibility of Ba2YMO6 (M = Nb,Ta)
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7:5:5:37 Nature of short-range ferromagnetic ordered state above TC in double perovskite La2NiMnO6
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7:5:5:38 An Original Polymorph Sequence in the High-Temperature Evolution of the Perovskite Pb2TmSbO6
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7:5:5:39 Magnetization-steps in Y2CoMnO6 double perovskite: The role of antisite disorder
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7:5:5:40 Electronic structure and magnetic properties of hole-carrier-doped La2MnNiO6:La2-xSrxMnNiO6
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7:5:5:41 First-principles study on the differences of possible ferroelectric behavior and magnetic exchange interaction between Bi2NiMnO6 and La2NiMnO6
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7:5:5:42 Structure, magnetic, and dielectric characteristics of Ln(2)NiMnO(6) (Ln = Nd and Sm) ceramics
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7:5:5:43 Lanthanide contraction effect on crystal structures, magnetic, and dielectric properties in ordered double perovskites LnPbCoSbO(6) (Ln = La, Pr, Nd)
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7:5:5:44 Magnetic, dielectric and transport characteristics of Ln(2)CoMnO(6) (Ln=Nd and Sm) double perovskite ceramics
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7:5:5:45 Engineering the microstructure and magnetism of La2CoMnO6-delta thin films by tailoring oxygen stoichiometry
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7:5:5:46 Electronic structure and linear optical properties of Sr2CdWO6 through Modified Becke-Johnson potential
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7:5:5:47 Neutron diffraction study of MnNiGa2-Structural and magnetic behaviour
DOI:10.1063/1.4857455 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Wang, J. L.;Ma, L.;Hofmann, M.;Avdeev, M.;Kennedy, S. J.;Campbell, S. J.;Din, M. F. Md;Hoelzel, M.;Wu, G. H.;Dou, S. X.;
7:5:5:48 Structure Correlated Enhancement in Dielectric and Electrical Properties of Strontium Based Niobates
DOI:10.1080/10584587.2010.492285 JN:INTEGRATED FERROELECTRICS PY:2010 TC:2 AU: Bishnoi, Bhagwati;Mehta, P. K.;Kumar, Ravi;Choudhary, R. J.;Phase, D. M.;
7:5:5:49 Dielectric and optical properties of Ba0.6Sr0.4Ti0.99Fe0.01O3 thin films deposited by pulsed laser deposition technique for microwave tunable devices
DOI:10.1016/j.jallcom.2013.06.057 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:2 AU: Laishram, Radhapiyari;Pandey, S. K.;Thakur, O. P.;Bhattacharya, D. K.;
7:5:5:50 Effect of the internal pressure and the anti-site disorder on the structure and magnetic properties of ALaFeTiO(6) (A=Ca, Sr, Ba) double perovskite oxides
DOI:10.1016/j.jmmm.2012.07.035 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:2 AU: Elbadawi, A. A.;Yassin, O. A.;Gismelseed, Abbasher A.;
7:5:6:1 Spin-Canting-Induced Improper Ferroelectricity and Spontaneous Magnetization Reversal in SmFeO3
DOI:10.1103/PhysRevLett.107.117201 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:61 AU: Lee, Jung-Hoon;Jeong, Young Kyu;Park, Jung Hwan;Oak, Min-Ae;Jang, Hyun Myung;Son, Jong Yeog;Scott, James F.;
7:5:6:2 Hydrothermal synthesis and magnetic properties of multiferroic rare-earth orthoferrites
DOI:10.1016/j.jallcom.2013.08.129 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:8 AU: Zhou, Zhiqiang;Guo, Li;Yang, Haixia;Liu, Qiang;Ye, Feng;
7:5:6:3 Spin switching and magnetization reversal in single-crystal NdFeO3
DOI:10.1103/PhysRevB.87.184405 JN:PHYSICAL REVIEW B PY:2013 TC:14 AU: Yuan, S. J.;Ren, W.;Hong, F.;Wang, Y. B.;Zhang, J. C.;Bellaiche, L.;Cao, S. X.;Cao, G.;
7:5:6:4 Room-Temperature Multiferroic Hexagonal LuFeO3 Films
DOI:10.1103/PhysRevLett.110.237601 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:18 AU: Wang, Wenbin;Zhao, Jun;Wang, Wenbo;Gai, Zheng;Balke, Nina;Chi, Miaofang;Lee, Ho Nyung;Tian, Wei;Zhu, Leyi;Cheng, Xuemei;Keavney, David J.;Yi, Jieyu;Ward, Thomas Z.;Snijders, Paul C.;Christen, Hans M.;Wu, Weida;Shen, Jian;Xu, Xiaoshan;
7:5:6:5 Structurally Tailored Hexagonal Ferroelectricity and Multiferroism in Epitaxial YbFeO3 Thin-Film Heterostructures
DOI:10.1021/ja210341b JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2012 TC:20 AU: Jeong, Young Kyu;Lee, Jung-Hoon;Ahn, Suk-Jin;Song, Seung-Woo;Jang, Hyun Myung;Choi, Hyojin;Scott, James F.;
7:5:6:6 Interface Strain-Induced Multiferroicity in a SmFeO3 Film
DOI:10.1021/am500762c JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:2 AU: Cheng, Zhenxiang;Hong, Fang;Wang, Yuanxu;Ozawa, Kiyoshi;Fujii, Hiroki;Kimura, Hideo;Du, Yi;Wang, Xiaolin;Dou, Shixue;
7:5:6:7 Preparation and characterization of Bi-doped LuFeO3 thin films grown on LaNiO3 substrate
DOI:10.1016/j.jcrysgro.2013.10.039 JN:JOURNAL OF CRYSTAL GROWTH PY:2014 TC:4 AU: Zhu, Liping;Deng, Hongmei;Liu, Jian;Sun, Lin;Yang, Pingxiong;Jiang, Anquan;Chu, Junhao;
7:5:6:8 Relaxor-like improper ferroelectricity induced by S-i center dot S-j-type collinear spin ordering in a M-type hexaferrite PbFe6Ga6O19
DOI:10.1016/j.actamat.2013.09.007 JN:ACTA MATERIALIA PY:2013 TC:0 AU: Na, Eun Hye;Song, Seungwoo;Koo, Yang-Mo;Jang, Hyun M.;
7:5:6:9 Weak ferromagnetism in hexagonal orthoferrites RFeO3 (R = Lu, Er-Tb)
DOI:10.1063/1.3643043 JN:APPLIED PHYSICS LETTERS PY:2011 TC:19 AU: Akbashev, A. R.;Semisalova, A. S.;Perov, N. S.;Kaul, A. R.;
7:5:6:10 Electric field control of magnetization in Nd1-xSmxFeO3 (x=0, 0.2, and 0.4) at room temperature
DOI:10.1063/1.4867024 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Du, Chuanjiang;Qin, Hongwei;Ren, Shaoqing;Zhao, Lei;Zhao, Minglei;Su, Wenbin;Hu, Jifan;
7:5:6:11 Morphology-controlled synthesis of orthorhombic LuFeO3 particles via a hydrothermal route
DOI:10.1016/j.jallcom.2014.08.057 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Zhou, M.;Yang, H.;Xian, T.;Ma, J. Y.;Zhang, H. M.;Feng, W. J.;Wei, Z. Q.;Jiang, J. L.;
7:5:6:12 Structural and electronic origin of the magnetic structures in hexagonal LuFeO3
DOI:10.1103/PhysRevB.90.014436 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Wang, Hongwei;Solovyev, Igor V.;Wang, Wenbin;Wang, Xiao;Ryan, Philip J.;Keavney, David J.;Kim, Jong-Woo;Ward, Thomas Z.;Zhu, Leyi;Shen, Jian;Cheng, X. M.;He, Lixin;Xu, Xiaoshan;Wu, Xifan;
7:5:6:13 Crystal field splitting and optical bandgap of hexagonal LuFeO3 films
DOI:10.1063/1.4771601 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Wang, Wenbin;Wang, Hongwei;Xu, Xiaoying;Zhu, Leyi;He, Lixin;Wills, Elizabeth;Cheng, Xuemei;Keavney, David J.;Shen, Jian;Wu, Xifan;Xu, Xiaoshan;
7:5:6:14 The multiferroic perovskite YFeO3
DOI:10.1063/1.4791697 JN:APPLIED PHYSICS LETTERS PY:2013 TC:10 AU: Shang, Mingyu;Zhang, Chenyang;Zhang, Tingsong;Yuan, Lin;Ge, Lei;Yuan, Hongming;Feng, Shouhua;
7:5:6:15 Optical properties and electronic structure of multiferroic hexagonal orthoferrites RFeO3 (R = Ho, Er, Lu)
DOI:10.1063/1.3693588 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:11 AU: Pavlov, V. V.;Akbashev, A. R.;Kalashnikova, A. M.;Rusakov, V. A.;Kaul, A. R.;Bayer, M.;Pisarev, R. V.;
7:5:6:16 Dielectric, ferroelectric and magnetic properties of Mn-doped LuFeO3 ceramics
DOI:10.1063/1.4789605 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Qin, Ying;Liu, Xiao Qiang;Chen, Xiang Ming;
7:5:6:17 k=0 Magnetic Structure and Absence of Ferroelectricity in SmFeO3
DOI:10.1103/PhysRevLett.113.217203 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Kuo, C. -Y.;Drees, Y.;Fernandez-Diaz, M. T.;Zhao, L.;Vasylechko, L.;Sheptyakov, D.;Bell, A. M. T.;Pi, T. W.;Lin, H. -J.;Wu, M. -K.;Pellegrin, E.;Valvidares, S. M.;Li, Z. W.;Adler, P.;Todorova, A.;Kuechler, R.;Steppke, A.;Tjeng, L. H.;Hu, Z.;Komarek, A. C.;
7:5:6:18 Room temperature multiferroicity in orthorhombic LuFeO3
DOI:10.1063/1.4892664 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Chowdhury, Ujjal;Goswami, Sudipta;Bhattacharya, Dipten;Ghosh, Jiten;Basu, Soumen;Neogi, Samya;
7:5:6:19 Optical properties of multiferroic LuFeO3 ceramics
DOI:10.1016/j.ceramint.2013.07.001 JN:CERAMICS INTERNATIONAL PY:2014 TC:2 AU: Zhu, L. P.;Deng, H. M.;Sun, L.;Yang, J.;Yang, P. X.;Chu, J. H.;
7:5:6:20 Hydrothermal synthesis and magnetic properties of Fe3+-doped multiferroic hexagonal rare-earth manganates
DOI:10.1016/j.jallcom.2014.07.162 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:1 AU: Guo, Li;Zhou, Zhiqiang;Yuan, Hongming;
7:5:6:21 First-order spin reorientation transition and specific-heat anomaly in CeFeO3
DOI:10.1063/1.4821516 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Yuan, S. J.;Cao, Y. M.;Li, L.;Qi, T. F.;Cao, S. X.;Zhang, J. C.;DeLong, L. E.;Cao, G.;
7:5:6:22 Comment on "Spin-Canting-Induced Improper Ferroelectricity and Spontaneous Magnetization Reversal in SmFeO3"
DOI:10.1103/PhysRevLett.108.219701 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:10 AU: Johnson, R. D.;Terada, N.;Radaelli, P. G.;
7:5:6:23 Comment on "Spin-Canting-Induced Improper Ferroelectricity and Spontaneous Magnetization Reversal in SmFeO3'' Reply
DOI:10.1103/PhysRevLett.108.219702 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:10 AU: Lee, Jung-Hoon;Jeong, Young Kyu;Park, Jung Hwan;Oak, Min-Ae;Jang, Hyun Myung;Son, Jong Yeog;Scott, James F.;
7:5:6:24 Cluster-glass behavior correlated with spin reorientation in Yb1-x Pr (x) FeO3
DOI:10.1007/s00339-012-7221-y JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2012 TC:2 AU: Yuan, Shujuan;Chang, Fenfen;Cao, Yiming;Wang, Xinyan;Kang, Baojuan;Zhang, Jincang;Cao, Shixun;
7:5:6:25 Intrinsic magnetic properties of hexagonal LuFeO3 and the effects of nonstoichiometry
DOI:10.1063/1.4861795 JN:APL MATERIALS PY:2014 TC:8 AU: Moyer, Jarrett A.;Misra, Rajiv;Mundy, Julia A.;Brooks, Charles M.;Heron, John T.;Muller, David A.;Schlom, Darrell G.;Schiffer, Peter;
7:5:6:26 Epitaxially Constrained Hexagonal Ferroelectricity and Canted Triangular Spin Order in LuFeO3 Thin Films
DOI:10.1021/cm300846j JN:CHEMISTRY OF MATERIALS PY:2012 TC:14 AU: Jeong, Young Kyu;Lee, Jung-Hoon;Ahn, Suk-Jin;Jang, Hyun Myung;
7:5:6:27 Structure and magnetic properties of Y1-xLuxFeO3 (0 <= x <= 1) ceramics
DOI:10.1063/1.3691243 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Yuan, Xue-Ping;Tang, Yan-Kun;Sun, Yue;Xu, Ming-Xiang;
7:5:6:28 Anisotropy and extremely high coercivity in weak ferromagnetic LuFeO3
DOI:10.1063/1.3681789 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Zhu, Wenka;Pi, Li;Tan, Shun;Zhang, Yuheng;
7:5:6:29 Anomalous properties of hexagonal rare-earth ferrites from first principles
DOI:10.1103/PhysRevB.89.205122 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Xu, Changsong;Yang, Yurong;Wang, Shanying;Duan, Wenhui;Gu, Binglin;Bellaiche, L.;
7:5:6:30 Structural and magnetic properties in YFe0.8Mn0.2O3 ceramics
DOI:10.1016/j.matlet.2014.08.020 JN:MATERIALS LETTERS PY:2014 TC:0 AU: Zhang, Chao;Wang, Zhaowu;Yan, Haitao;Wang, Xiaofei;Kang, Dawei;Li, Liben;
7:5:6:31 Spin dependent electrical abnormal in TbFeO3
DOI:10.1016/j.jallcom.2011.12.058 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:4 AU: Zou, Y. H.;Li, W. L.;Wang, S. L.;Zhu, H. W.;Li, P. G.;Tang, W. H.;
7:5:6:32 Multiferroism in hexagonally stabilized TmFeO3 thin films below 120 K
DOI:10.1039/c4tc00461b JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2014 TC:1 AU: Ahn, Suk-Jin;Lee, Jung-Hoon;Jang, Hyun Myung;Jeong, Young Kyu;
7:5:6:33 Mechanisms of magnetic and temperature hysteresis in ErFeO3 and TmFeO3 single crystals
DOI:10.1063/1.3499616 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:3 AU: Tsymbal, L. T.;Bazaliy, Ya. B.;Kakazei, G. N.;Vasiliev, S. V.;
7:5:6:34 Structural and electronic origin of the magnetic structures in hexagonal LuFeO3 (vol 90, 014436, 2014)
DOI:10.1103/PhysRevB.90.059903 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Wang, Hongwei;Solovyev, Igor V.;Wang, Wenbin;Wang, Xiao;Ryan, Philip J.;Keavney, David J.;Kim, Jong-Woo;Ward, Thomas Z.;Zhu, Leyi;Shen, Jian;Cheng, X. M.;He, Lixin;Xu, Xiaoshan;Wu, Xifan;
7:5:6:35 Room-temperature ferromagnetism induced and controlled by electric field in BaNbO3 films
DOI:10.1063/1.4769901 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Cao, Ensi;Qin, Hongwei;Zhang, Yongjia;Hu, Jifan;
7:5:6:36 Correlation of magnetic ordering and electric polarization in multiferroic LuMn1-xFexO3 (0 <= x <= 0.2)
DOI:10.1063/1.3360355 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Lin, J. G.;Chen, Y. S.;Han, T. C.;
7:5:6:37 Local spin reversal and associated magnetic responses in Ga-substituted Pb-hexaferrites
DOI:10.1016/j.jmmm.2012.04.031 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:1 AU: Na, Eun Hye;Lee, Jung-Hoon;Ahn, Suk-Jin;Hong, Kun-Pyo;Koo, Yang Mo;Jang, Hyun Myung;
7:5:7:1 Direct Hydrothermal Synthesis and Physical Properties of Rare-Earth and Yttrium Orthochromite Perovskites
DOI:10.1021/cm102925z JN:CHEMISTRY OF MATERIALS PY:2011 TC:45 AU: Sardar, Kripasindhu;Lees, Martin R.;Kashtiban, Reza J.;Sloan, Jeremy;Walton, Richard I.;
7:5:7:2 Magnetic exchange bias and high-temperature giant dielectric response in SmCrO3 ceramics
DOI:10.1016/j.ceramint.2014.05.115 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Huang, S.;Zerihun, G.;Tian, Z.;Yuan, S.;Gong, G.;Yin, C.;Wang, L.;
7:5:7:3 Spin-Reorientation, Ferroelectricity, and Magnetodielectric Effect in YFe1-xMnxO3(0.1 <= x <= 0.40)
DOI:10.1103/PhysRevLett.107.137202 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:27 AU: Mandal, P.;Bhadram, Venkata Srinu;Sundarayya, Y.;Narayana, Chandrabhas;Sundaresan, A.;Rao, C. N. R.;
7:5:7:4 Phonon Raman scattering of RCrO3 perovskites (R = Y, La, Pr, Sm, Gd, Dy, Ho, Yb, Lu)
DOI:10.1103/PhysRevB.85.054303 JN:PHYSICAL REVIEW B PY:2012 TC:16 AU: Weber, M. C.;Kreisel, J.;Thomas, P. A.;Newton, M.;Sardar, K.;Walton, R. I.;
7:5:7:5 Magnetic and magnetocaloric properties of bulk dysprosium chromite
DOI:10.1063/1.4821016 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:9 AU: McDannald, A.;Kuna, L.;Jain, M.;
7:5:7:6 Field-induced polar order at the Neel temperature of chromium in rare-earth orthochromites: Interplay of rare-earth and Cr magnetism
DOI:10.1103/PhysRevB.86.214409 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;
7:5:7:7 Multiferroicity and magnetoelectric coupling enhanced large magnetocaloric effect in DyFe0.5Cr0.5O3
DOI:10.1063/1.4862665 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Yin, L. H.;Yang, J.;Zhang, R. R.;Dai, J. M.;Song, W. H.;Sun, Y. P.;
7:5:7:8 Ferroelectricity Induced by Cations of Nonequivalent Spins Disordered in the Weakly Ferromagnetic Perovskites, YCr1-xMxO3 (M = Fe or Mn)
DOI:10.1021/cm301944s JN:CHEMISTRY OF MATERIALS PY:2012 TC:15 AU: Rajeswaran, B.;Mandal, P.;Saha, Rana;Suard, E.;Sundaresan, A.;Rao, C. N. R.;
7:5:7:9 One-step hydrothermal synthesis, characterization and magnetic properties of orthorhombic PrCrO3 cubic particles
DOI:10.1016/j.materresbull.2014.07.049 JN:MATERIALS RESEARCH BULLETIN PY:2014 TC:0 AU: Zhang, Youjin;Yao, Chengpeng;Fan, Yun;Zhou, Maozhong;
7:5:7:10 Magnetic ordering in TbMn0.5Cr0.5O3 studied by neutron diffraction and first-principles calculations
DOI:10.1063/1.4890637 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Staruch, M.;Sharma, V.;dela Cruz, C.;Ramprasad, R.;Jain, M.;
7:5:7:11 Phonons and magnetic excitation correlations in weak ferromagnetic YCrO3
DOI:10.1063/1.4875099 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:4 AU: Sharma, Yogesh;Sahoo, Satyaprakash;Perez, William;Mukherjee, Somdutta;Gupta, Rajeev;Garg, Ashish;Chatterjee, Ratnamala;Katiyar, Ram S.;
7:5:7:12 A novel multiferroic system: Rare earth chromates
DOI:10.1063/1.3360358 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:12 AU: Cheng, Z. X.;Wang, X. L.;Dou, S. X.;Kimura, H.;Ozawa, K.;
7:5:7:13 Structural, magnetic, and magnetodielectric studies of metamagnetic DyFe0.5Cr0.5O3
DOI:10.1063/1.4870139 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Nair, Vidhya G.;Pal, L.;Subramanian, V.;Santhosh, P. N.;
7:5:7:14 General synthesis of rare-earth orthochromites with quasi-hollow nanostructures and their magnetic properties
DOI:10.1039/c3ta12281f JN:JOURNAL OF MATERIALS CHEMISTRY A PY:2013 TC:7 AU: Lei, Shuijin;Liu, Lei;Wang, Chunying;Wang, Chuanning;Guo, Donghai;Zeng, Suyuan;Cheng, Baochang;Xiao, Yanhe;Zhou, Lang;
7:5:7:15 Magnetic and dielectric properties and Raman spectroscopy of GdCrO3 nanoparticles
DOI:10.1063/1.3275926 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:20 AU: Jaiswal, Adhish;Das, Raja;Vivekanand, K.;Maity, Tuhin;Abraham, Priya Mary;Adyanthaya, Suguna;Poddar, Pankaj;
7:5:7:16 Magnetic structure and magnetodielectric effect of YFe0.5Cr0.5O3
DOI:10.1063/1.4808459 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Nair, Vidhya G.;Das, A.;Subramanian, V.;Santhosh, P. N.;
7:5:7:17 Intrinsic structural distortion and superexchange interaction in the orthorhombic rare-earth perovskites RCrO3
DOI:10.1103/PhysRevB.81.214115 JN:PHYSICAL REVIEW B PY:2010 TC:15 AU: Zhou, J. -S.;Alonso, J. A.;Pomjakushin, V.;Goodenough, J. B.;Ren, Y.;Yan, J. -Q.;Cheng, J. -G.;
7:5:7:18 Structural and physical properties of microwave synthesized orthorhombic perovskite erbium chromite ErCrO3
DOI:10.1016/j.jeurceramsoc.2011.10.002 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:6 AU: Prado-Gonjal, Jesus;Schmidt, Rainer;Avila, David;Amador, Ulises;Moran, Emilio;
7:5:7:19 Observation of electric polarization reversal and magnetodielectric effect in orthochromites: A comparison between LuCrO3 and ErCrO3
DOI:10.1103/PhysRevB.89.144401 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Meher, K. R. S. Preethi;Wahl, Alexandre;Maignan, Antoine;Martin, Christine;Lebedev, Oleg I.;
7:5:7:20 Temperature dependence of magnetic properties and change of specific heat in perovskite ErCrO3 chromites
DOI:10.1007/s00339-010-5839-1 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:12 AU: Su, Yuling;Zhang, Jincang;Li, Li;Li, Beizhan;Zhou, Yun;Deng, Dongmei;Chen, Zhenping;Cao, Shixun;
7:5:7:21 Novel Magnetization Induced by Phase Coexistence in Multiferroic HoCrO3 Chromites
DOI:10.1080/00150193.2010.492729 JN:FERROELECTRICS PY:2011 TC:12 AU: Su, Y. L.;Zhang, J. C.;Li, L.;Feng, Z. J.;Li, B. Z.;Zhou, Y.;Cao, S. X.;
7:5:7:22 Structure, magnetic, and thermal properties of Nd1-xLaxCrO3 (0 <= x <= 1.0)
DOI:10.1063/1.3505800 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:9 AU: Du, Yi;Cheng, Zhen Xiang;Wang, Xiao-Lin;Dou, Shi Xue;
7:5:7:23 Dielectric and spin relaxation behaviour in DyFeO3 nanocrystals
DOI:10.1063/1.3669154 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:7 AU: Jaiswal, Adhish;Das, Raja;Maity, Tuhin;Poddar, Pankaj;
7:5:7:24 Crystalline and magnetic properties of Er and Yb chromites modified by Mn and Ca cations
DOI:10.1016/j.jeurceramsoc.2012.04.039 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:1 AU: Moure, C.;Tartaj, J.;Moure, A.;Pena, O.;
7:5:7:25 Magnetic Structure of LaCrO3 Perovskite under High Pressure from In Situ Neutron Diffraction
DOI:10.1103/PhysRevLett.106.057201 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:9 AU: Zhou, J. -S.;Alonso, J. A.;Muonz, A.;Fernandez-Diaz, M. T.;Goodenough, J. B.;
7:5:7:26 Abnormal high dielectric constant in SmFeO3 semiconductor ceramics
DOI:10.1016/j.materresbull.2011.06.001 JN:MATERIALS RESEARCH BULLETIN PY:2011 TC:15 AU: Prasad, Bandi Vittal;Rao, G. Narsinga;Chen, J. W.;Babu, D. Suresh;
7:5:7:27 Comparative Raman study of isostructural YCrO3 and YMnO3: Effects of structural distortions and twinning
DOI:10.1103/PhysRevB.83.224303 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Todorov, N. D.;Abrashev, M. V.;Ivanov, V. G.;Tsutsumanova, G. G.;Marinova, V.;Wang, Y. -Q.;Iliev, M. N.;
7:5:7:28 The dependence of magnetic properties on temperature for rare earth ErCrO3 chromites
DOI:10.1016/j.ceramint.2011.05.024 JN:CERAMICS INTERNATIONAL PY:2012 TC:3 AU: Su, Yuling;Zhang, Jincang;Li, Beizhan;Kang, Baojuan;Yu, Qianying;Jing, Chao;Cao, Shixun;
7:5:7:29 Local symmetry breaking and spin-phonon coupling in SmCrO3 orthochromite
DOI:10.1016/j.jmmm.2014.02.057 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:1 AU: El Amrani, M.;Zaghrioui, M.;Ta Phuoc, V.;Gervais, F.;Massa, Nestor E.;
7:5:7:30 Impedance and AC Conductivity of GdCr(1-x)CoxO(3) (x=0, 0.33, 0.5, 0.67 and 1) Perovskites
DOI:10.1111/jace.13205 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:0 AU: Pecovska-Gjorgjevich, Margareta;Aleksovska, Slobotka;Marinsek, Marjan;Dimitrovska-Lazova, Sandra;
7:5:7:31 Mild hydrothermal synthesis and physical property of perovskite Sr doped LaCrO3
DOI:10.1016/j.matlet.2013.03.083 JN:MATERIALS LETTERS PY:2013 TC:6 AU: Wang, Shan;Huang, Keke;Zheng, Beining;Zhang, Jiaqi;Feng, Shouhua;
7:5:7:32 Dielectric and optical phonon anomalies near antiferromagnetic ordering in LaCrO3: A possible near room temperature magnetodielectric system
DOI:10.1063/1.4824919 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Tiwari, Brajesh;Dixit, A.;Naik, R.;Lawes, G.;Rao, M. S. Ramachandra;
7:5:7:33 Hysteresis in magnetization-temperature curves of the orthochromite La0.1Gd0.9CrO3
DOI:10.1016/j.jallcom.2012.08.051 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:2 AU: Sharma, Neha;Srivastava, Bipin K.;Krishnamurthy, Anjali;Nigam, A. K.;
7:5:7:34 Low temperature neutron diffraction study of Nd1-xSrxCrO3 (0.05 <= x <= 0.15)
DOI:10.1016/j.jmmm.2014.02.018 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:0 AU: Chakraborty, Keka R.;Mukherjee, S.;Kaushik, S. D.;Rayaprol, S.;Prajapat, C. L.;Singh, M. R.;Siruguri, V.;Tyagi, A. K.;Yusuf, S. M.;
7:5:7:35 Synthesis and optical studies of GdCrO3 nanoparticles
DOI:10.1007/s11051-010-0090-4 JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2011 TC:5 AU: Jaiswal, Adhish;Das, Raja;Adyanthaya, Suguna;Poddar, Pankaj;
7:5:7:36 Relaxor ferroelectric like giant permittivity in PrCrO3 semiconductor ceramics
DOI:10.1016/j.matchemphys.2010.12.013 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:8 AU: Prasad, Bandi Vittal;Rao, G. Narsinga;Chen, J. W.;Babu, D. Suresh;
7:5:7:37 Size dependent structural and magnetic properties of Al substituted Co-Mg ferrites synthesized by the sol-gel auto-combustion method
DOI:10.1016/j.materresbull.2014.01.003 JN:MATERIALS RESEARCH BULLETIN PY:2014 TC:3 AU: Ahmad, Imran;Abbas, Tahir;Ziya, A. B.;Abbas, Ghazanfar;Maqsood, Asghari;
7:5:7:38 Magnetic and magnetocaloric properties of bulk dysprosium chromite (vol 114, 113904, 2013)
DOI:10.1063/1.4868220 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: McDannald, A.;Kuna, L.;Jain, M.;
7:5:7:39 Hydrothermally controlled growth and magnetic properties of multi-morphology manganese oxide (RMnO3, R = Ca, Sr, Ba) nano- and microcrystals
DOI:10.1016/j.jcrysgro.2013.06.008 JN:JOURNAL OF CRYSTAL GROWTH PY:2013 TC:1 AU: Zhang, Jinhua;Yu, Dabin;Du, Kai;Wang, Feng;Zhao, Dapeng;Wang, Yong;Chen, Leilei;Kong, Mingguang;Zou, Jiwei;
7:5:8:1 Ferroelectricity Induced by Spin-Dependent Metal-Ligand Hybridization in Ba2CoGe2O7
DOI:10.1103/PhysRevLett.105.137202 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:53 AU: Murakawa, H.;Onose, Y.;Miyahara, S.;Furukawa, N.;Tokura, Y.;
7:5:8:2 Enhanced Directional Dichroism of Terahertz Light in Resonance with Magnetic Excitations of the Multiferroic Ba2CoGe2O7 Oxide Compound
DOI:10.1103/PhysRevLett.106.057403 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:42 AU: Kezsmarki, I.;Kida, N.;Murakawa, H.;Bordacs, S.;Onose, Y.;Tokura, Y.;
7:5:8:3 Effect of spin excitations with simultaneous magnetic- and electric-dipole character on the static magnetoelectric properties of multiferroic materials
DOI:10.1103/PhysRevB.89.184419 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Szaller, David;Bordacs, Sandor;Kocsis, Vilmos;Room, Toomas;Nagel, Urmas;Kezsmarki, Istvan;
7:5:8:4 Evolution of two-dimensional antiferromagnetism with temperature and magnetic field in multiferroic Ba2CoGe2O7
DOI:10.1103/PhysRevB.89.064403 JN:PHYSICAL REVIEW B PY:2014 TC:2 AU: Hutanu, V.;Sazonov, A. P.;Meven, M.;Roth, G.;Gukasov, A.;Murakawa, H.;Tokura, Y.;Szaller, D.;Bordacs, S.;Kezsmarki, I.;Guduru, V. K.;Peters, L. C. J. M.;Zeitler, U.;Romhanyi, J.;Nafradi, B.;
7:5:8:5 Comprehensive study of the ferroelectricity induced by the spin-dependent d-p hybridization mechanism in Ba2XGe2O7 (X = Mn, Co, and Cu)
DOI:10.1103/PhysRevB.85.174106 JN:PHYSICAL REVIEW B PY:2012 TC:12 AU: Murakawa, H.;Onose, Y.;Miyahara, S.;Furukawa, N.;Tokura, Y.;
7:5:8:6 Theoretical investigation of magnetoelectric effects in Ba2CoGe2O7
DOI:10.1103/PhysRevB.84.165137 JN:PHYSICAL REVIEW B PY:2011 TC:16 AU: Yamauchi, Kunihiko;Barone, Paolo;Picozzi, Silvia;
7:5:8:7 Spontaneous toroidal moment and field-induced magnetotoroidic effects in Ba2CoGe2O7
DOI:10.1103/PhysRevB.84.094421 JN:PHYSICAL REVIEW B PY:2011 TC:12 AU: Toledano, Pierre;Khalyavin, Dmitry D.;Chapon, Laurent C.;
7:5:8:8 Gigantic terahertz magnetochromism via electromagnons in the hexaferrite magnet Ba2Mg2Fe12O22
DOI:10.1103/PhysRevB.83.064422 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Kida, N.;Kumakura, S.;Ishiwata, S.;Taguchi, Y.;Tokura, Y.;
7:5:8:9 Theory of magneto-optical effects in helical multiferroic materials via toroidal magnon excitation
DOI:10.1103/PhysRevB.89.195145 JN:PHYSICAL REVIEW B PY:2014 TC:2 AU: Miyahara, S.;Furukawa, N.;
7:5:8:10 Spin-Stretching Modes in Anisotropic Magnets: Spin-Wave Excitations in the Multiferroic Ba2CoGe2O7
DOI:10.1103/PhysRevLett.108.257203 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:12 AU: Penc, K.;Romhanyi, J.;Room, T.;Nagel, U.;Antal, A.;Feher, T.;Janossy, A.;Engelkamp, H.;Murakawa, H.;Tokura, Y.;Szaller, D.;Bordacs, S.;Kezsmarki, I.;
7:5:8:11 Zero- and finite-temperature mean field study of magnetic field induced electric polarization in Ba2CoGe2O7: Effect of the antiferroelectric coupling
DOI:10.1103/PhysRevB.84.224419 JN:PHYSICAL REVIEW B PY:2011 TC:11 AU: Romhanyi, Judit;Lajko, Miklos;Penc, Karlo;
7:5:8:12 Symmetry conditions for nonreciprocal light propagation in magnetic crystals
DOI:10.1103/PhysRevB.87.014421 JN:PHYSICAL REVIEW B PY:2013 TC:7 AU: Szaller, David;Bordacs, Sandor;Kezsmarki, Istvan;
7:5:8:13 Crystal growth and characterization of the non-centrosymmetric antiferromagnet Ba2CuGe2O7
DOI:10.1016/j.jcrysgro.2014.07.022 JN:JOURNAL OF CRYSTAL GROWTH PY:2014 TC:2 AU: Fittipaldi, R.;Rocco, L.;Hatnean, M. Ciomaga;Granata, V.;Lees, M. R.;Balakrishnan, G.;Vecchione, A.;
7:5:8:14 Symmetry and structure of multiferroic Ba2CoGe2O7
DOI:10.1103/PhysRevB.84.212101 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Hutanu, V.;Sazonov, A.;Murakawa, H.;Tokura, Y.;Nafradi, B.;Chernyshov, D.;
7:5:8:15 Determination of the magnetic order and the crystal symmetry in the multiferroic ground state of Ba2CoGe2O7
DOI:10.1103/PhysRevB.86.104401 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Hutanu, V.;Sazonov, A.;Meven, M.;Murakawa, H.;Tokura, Y.;Bordacs, S.;Kezsmarki, I.;Nafradi, B.;
7:5:8:16 Terahertz Magnetoelectric Resonance Enhanced by Mutual Coupling of Electromagnons
DOI:10.1103/PhysRevLett.111.037204 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:7 AU: Takahashi, Y.;Yamasaki, Y.;Tokura, Y.;
7:5:8:17 Multiferroic properties of an akermanite Sr2CoSi2O7 single crystal in high magnetic fields
DOI:10.1103/PhysRevB.86.060413 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Akaki, M.;Iwamoto, H.;Kihara, T.;Tokunaga, M.;Kuwahara, H.;
7:5:8:18 Thermodynamics of ferrotoroidic materials: Toroidocaloric effect
DOI:10.1103/PhysRevB.85.144429 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Castan, Teresa;Planes, Antoni;Saxena, Avadh;
7:5:8:19 Infrared phonon spectrum of the tetragonal helimagnet Ba2CuGe2O7
DOI:10.1103/PhysRevB.90.014304 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Nucara, A.;Mohamed, W. S.;Baldassarre, L.;Koval, S.;Lorenzana, J.;Fittipaldi, R.;Balakrishnan, G.;Vecchione, A.;Calvani, P.;
7:5:8:20 Giant gigahertz optical activity in multiferroic ferroborate
DOI:10.1103/PhysRevB.89.174407 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Kuzmenko, A. M.;Shuvaev, A.;Dziom, V.;Pimenov, Anna;Schiebl, M.;Mukhin, A. A.;Ivanov, V. Yu.;Bezmaternykh, L. N.;Pimenov, A.;
7:5:8:21 Electric Field Control of Terahertz Polarization in a Multiferroic Manganite with Electromagnons
DOI:10.1103/PhysRevLett.111.227201 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:3 AU: Shuvaev, A.;Dziom, V.;Pimenov, Anna;Schiebl, M.;Mukhin, A. A.;Komarek, A. C.;Finger, T.;Braden, M.;Pimenov, A.;
7:5:8:22 Spin-Nematic Interaction in the Multiferroic Compound Ba2CoGe2O7
DOI:10.1103/PhysRevLett.112.127205 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:2 AU: Soda, M.;Matsumoto, M.;Mansson, M.;Ohira-Kawamura, S.;Nakajima, K.;Shiina, R.;Masuda, T.;
7:5:8:23 A system exhibiting toroidal order
DOI:10.1103/PhysRevB.82.184401 JN:PHYSICAL REVIEW B PY:2010 TC:4 AU: Harris, A. B.;
7:5:8:24 Weak magnetism in insulating and superconducting cuprates
DOI:10.1103/PhysRevB.82.214504 JN:PHYSICAL REVIEW B PY:2010 TC:3 AU: De Luca, G. M.;Ghiringhelli, G.;Moretti Sala, M.;Di Matteo, S.;Haverkort, M. W.;Berger, H.;Bisogni, V.;Cezar, J. C.;Brookes, N. B.;Salluzzo, M.;
7:5:8:25 Magnetic control of electric polarization in the noncentrosymmetric compound (Cu, Ni)B2O4
DOI:10.1103/PhysRevB.87.184416 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Khanh, N. D.;Abe, N.;Kubo, K.;Akaki, M.;Tokunaga, M.;Sasaki, T.;Arima, T.;
7:5:8:26 Multiboson spin-wave theory for Ba2CoGe2O7: A spin-3/2 easy-plane Neel antiferromagnet with strong single-ion anisotropy
DOI:10.1103/PhysRevB.86.174428 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;Phonon softening and dispersion in EuTiO3;PHYSICAL REVIEW B;86;22;220301;10.1103/PhysRevB.86.220301;DEC 4 2012;2012;We measured phonon dispersion in single-crystal EuTiO3 using inelastic;x-ray scattering. Astructural transition to an antiferrodistortive phase;was found at a critical temperature T-0 = 287 +/- 1K using powder and;single-crystal x-ray diffraction. Clear softening of the zone boundary;R-point q = (0.5 0.5 0.5) acoustic phonon shows this to be a displacive;transition. The mode energy plotted against reduced temperature could be;seen to nearly overlap that of SrTiO3, suggesting a universal scaling;relation. Phonon dispersion was measured along Gamma-X (0 0 0) -> (0.5 0;0). Mode eigenvectors were obtained from a shell model consistent with;the q dependence of intensity and energy, which also showed that the;dispersion is nominally the same as in SrTiO3 at room temperature, but;corrected for mass. The lowest-energy optical mode, determined to be of;Slater character, softens approximately linearly with temperature until;the 70-100 K range where the softening stops, and at low temperature,;the mode disperses linearly near the zone center.;7;0;0;0;7;1098-0121;WOS:000311910600001;;;J;Fock, J.;Leijnse, M.;Jennum, K.;Zyazin, A. S.;Paaske, J.;Hedegard, P.;Nielsen, M. Brondsted;van der Zant, H. S. J.;Manipulation of organic polyradicals in a single-molecule transistor;PHYSICAL REVIEW B;86;23;235403;10.1103/PhysRevB.86.235403;DEC 4 2012;2012;Inspired by cotunneling spectroscopy of spin-states in a single;OPE5-based molecule, we investigate the prospects for electric control;of magnetism in purely organic molecules contacted in a three-terminal;geometry. Using the gate electrode, the molecule is reversibly switched;between three different redox states, with magnetic spectra revealing;both ferromagnetic and antiferromagnetic exchange couplings on the;molecule. These observations are shown to be captured by an effective;low-energy Heisenberg model, which we substantiate microscopically by a;simple valence bond description of the molecule. These preliminary;findings suggest an interesting route towards functionalized all-organic;molecular magnetism.;Fock, Jeppe/A-9074-2011;Fock, Jeppe/0000-0002-7515-4026;3;0;0;0;3;1098-0121;WOS:000311911100003;;;J;Li, P. H. Y.;Bishop, R. F.;Campbell, C. E.;Farnell, D. J. J.;Goetze, O.;Richter, J.;Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice;PHYSICAL REVIEW B;86;21;214403;10.1103/PhysRevB.86.214403;DEC 4 2012;2012;We use the coupled-cluster method to study the zero-temperature;properties of an extended two-dimensional Heisenberg antiferromagnet;formed from spin-1/2 moments on an infinite spatially anisotropic kagome;lattice of corner-sharing isosceles triangles, with nearest-neighbor;bonds only. The bonds have exchange constants J(1) > 0 along two of the;three lattice directions and J(2) = kappa J(1) > 0 along the third. In;the classical limit, the ground-state (GS) phase for kappa < 1/2 has;collinear ferrimagnetic (Neel') order where the J(2)-coupled chain spins;are ferromagnetically ordered in one direction with the remaining spins;aligned in the opposite direction, while for kappa > 1/2 there exists an;infinite GS family of canted ferrimagnetic spin states, which are;energetically degenerate. For the spin-1/2 case, we find that quantum;analogs of both these classical states continue to exist as stable GS;phases in some regions of the anisotropy parameter kappa, namely, for 0;< kappa < kappa(c1) for the Neel' state and for (at least part of) the;region kappa > kappa(c2) for the canted phase. However, they are now;separated by a paramagnetic phase without either sort of magnetic order;in the region kappa(c1) < kappa < kappa(c2), which includes the;isotropic kagome point kappa = 1 where the stable GS phase is now;believed to be a topological (Z(2)) spin liquid. Our best numerical;estimates are kappa(c1) = 0.515 +/- 0.015 and kappa(c2) = 1.82 +/- 0.03.;Richter, Johannes/A-6339-2009; Bishop, Raymond/D-9715-2012;Bishop, Raymond/0000-0001-5565-0658;4;0;0;0;4;1098-0121;WOS:000311910100002;;;J;Monozon, B. S.;Schmelcher, P.;Bound and resonant impurity states in a narrow gapped armchair graphene;nanoribbon;PHYSICAL REVIEW B;86;24;245404;10.1103/PhysRevB.86.245404;DEC 4 2012;2012;An analytical study of discrete and resonant impurity quasi-Coulomb;states in a narrow gapped armchair graphene nanoribbon (GNR) is;performed. We employ the adiabatic approximation assuming that the;motions parallel ("slow") and perpendicular ("fast") to the boundaries;of the ribbon are separated adiabatically. The energy spectrum comprises;a sequence of series of quasi-Rydberg levels relevant to the slow motion;adjacent from the low energies to the size-quantized levels associated;with the fast motion. Only the series attributed to the ground;size-quantized subband is really discrete, while others corresponding to;the excited subbands consist of quasidiscrete (Fano resonant) levels of;nonzero energetic widths, caused by the coupling with the states of the;continuous spectrum branching from the low lying subbands. In the;two-and three-subband approximation the spectrum of the complex energies;of the impurity electron is derived in an explicit form. Narrowing the;GNR leads to an increase of the binding energy and the resonant width;both induced by the finite width of the ribbon. Displacing the impurity;center from the midpoint of the GNR causes the binding energy to;decrease, while the resonant width of the first excited Rydberg series;increases. As for the second excited series, their widths become;narrower with the shift of the impurity. A successful comparison of our;analytical results with those obtained by other theoretical and;experimental methods is presented. Estimates of the binding energies and;the resonant widths taken for the parameters of typical GNRs show that;not only the strictly discrete but also some resonant states are quite;stable and could be studied experimentally in doped GNRs.;Monozon, Boris/E-6412-2012; Schmelcher, Peter/D-9592-2014;Schmelcher, Peter/0000-0002-2637-0937;0;0;0;0;0;1098-0121;WOS:000311911900002;;;J;Thiaville, Andre;Vukadinovic, Nicolas;Acher, Olivier;Sum rule for the magnetic permeability of arbitrary textures;PHYSICAL REVIEW B;86;21;214404;10.1103/PhysRevB.86.214404;DEC 4 2012;2012;The f-sum rule for the magnetic permeability, derived previously for an;assembly of isolated macrospins, is generalized for an arbitrary;nonuniform three-dimensional magnetization texture, in which the;magnetizations at different points are coupled by exchange and;magnetostatic interactions. The sum value depends only on the magnetic;texture at rest. It has no direct contribution from the exchange energy,;but depends on the anisotropy, applied field, and demagnetizing;energies. The derived formula is tested against numerical calculations;for several complex and very different magnetization structures. This;generalized sum rule should be useful for experiments, numerical;simulations, and metrology.;1;0;0;0;1;1098-0121;WOS:000311910100003;;;J;Troc, R.;Gajek, Z.;Pikul, A.;Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as;seen in magnetic, transport, and specific-heat data;PHYSICAL REVIEW B;86;22;224403;10.1103/PhysRevB.86.224403;DEC 4 2012;2012;Single-crystalline UGe2 was investigated by means of magnetic;susceptibility, magnetization, electrical resistivity,;magnetoresistivity, and specific-heat measurements, all carried out in;wide temperature and magnetic-field ranges. An analysis of the obtained;data points out the dual behavior of the 5f electrons in this compound,;i. e., possessing simultaneously local and itinerant characters in two;substates. The magnetic and thermal characteristics of the compound were;modeled using the effective crystal field (CF) in the intermediate;coupling scheme and initial parameters obtained in the angular overlap;model. Various configurations of the localized 5f(n) (n = 1, 2, and 3);electrons on the uranium ion have been probed. The best results were;obtained for the 5f(2) (U4+) configuration. The CF parameters obtained;in the paramagnetic region allowed us to reproduce satisfactorily the;experimental findings in the whole temperature range including also the;magnitude of the ordered magnetic moment of uranium at low temperature.;The electrical resistivity data after subtraction of the phonon;contribution reveal the presence of a Kondo-like interaction in UGe2;supporting the idea of partial localization of the 5f electrons in UGe2.;On the other hand, magnetoresistivity and an excess of specific heat;originated from the hybridized (itinerant) part of 5f states, apparent;around the characteristic temperature T*, give a distinct signature for;the presence of the coupled charge-density wave and spin-density wave;fluctuations over all the ferromagnetic region with a maximum at T*,;postulated earlier in the literature.;7;0;0;0;7;1098-0121;WOS:000311910600004;;;J;Williams, T. J.;Yamani, Z.;Butch, N. P.;Luke, G. M.;Maple, M. B.;Buyers, W. J. L.;Neutron scattering study of URu2-xRexSi2 (x=0.10): Driving order towards;quantum criticality;PHYSICAL REVIEW B;86;23;235104;10.1103/PhysRevB.86.235104;DEC 4 2012;2012;We report inelastic neutron scattering measurements in the hidden order;state of URu2-xRexSi2 with x = 0.10. We observe that towards the;ferromagnetic quantum critical point induced by the negative chemical;pressure of Re doping, the gapped incommensurate fluctuations are robust;and comparable in intensity to the parent material. As the Re doping;moves the system toward the quantum critical point, the commensurate;spin fluctuations related to hidden order weaken, display a shortened;lifetime, and slow down. Halfway to the quantum critical point, the;hidden order phase survives, albeit weakened, in contrast to its;destruction by hydrostatic pressure and by positive chemical pressure;from Rh doping.;yamani, zahra/B-7892-2012; Luke, Graeme/A-9094-2010;0;0;0;0;0;1098-0121;WOS:000311911100001;;;J;Wolfowicz, Gary;Simmons, Stephanie;Tyryshkin, Alexei M.;George, Richard E.;Riemann, Helge;Abrosimov, Nikolai V.;Becker, Peter;Pohl, Hans-Joachim;Lyon, Stephen A.;Thewalt, Mike L. W.;Morton, John J. L.;Decoherence mechanisms of Bi-209 donor electron spins in isotopically;pure Si-28;PHYSICAL REVIEW B;86;24;245301;10.1103/PhysRevB.86.245301;DEC 4 2012;2012;Bismuth (Bi-209) is the deepest group V donor in silicon and possesses;the most extreme characteristics such as a 9/2 nuclear spin and a 1.5;GHz hyperfine coupling. These lead to several potential advantages for a;Si:Bi donor electron spin qubit compared to the more common phosphorus;donor. Most previous studies on Si: Bi have been performed using natural;silicon where linewidths and electron spin coherence times are limited;by the presence of Si-29 impurities. Here, we describe electron spin;resonance (ESR) and electron nuclear double resonance (ENDOR) studies on;Bi-209 in isotopically pure Si-28. ESR and ENDOR linewidths, transition;probabilities, and coherence times are understood in terms of the spin;Hamiltonian parameters showing a dependence on field and m(I) of the;Bi-209 nuclear spin. We explore various decoherence mechanisms;applicable to the donor electron spin, measuring coherence times up to;700 ms at 1.7 K at X band, comparable with Si-28:P. Importantly, the;coherence times we measure follow closely to the calculated field;gradients of the transition frequencies (df/dB), providing a strong;motivation to explore "clock" transitions where coherence lifetimes;could be further enhanced.;Morton, John/I-3515-2013;6;1;0;0;6;1098-0121;WOS:000311911900001;;;J;Armbruster, Oskar;Lungenschmied, Christoph;Bauer, Siegfried;Investigation of trap states and mobility in organic semiconductor;devices by dielectric spectroscopy: Oxygen-doped P3HT:PCBM solar cells;PHYSICAL REVIEW B;86;23;235201;10.1103/PhysRevB.86.235201;DEC 3 2012;2012;We investigate the dielectric response of solar cell devices based on;oxygen-doped poly(3-hexylthiophene):[6,6]-phenyl-C-61-butyric acid;methyl ester (P3HT:PCBM) blends as a function of temperature between 133;K and 303 K. The spectra are analyzed using a recently introduced model;[O. Armbruster, C. Lungenschmied, and S. Bauer, Phys. Rev. B 84, 085208;(2011)] which is based on a trapping and reemission mechanism of charge;carriers. A dominating trap depth of 130 meV is determined and the;broadening of this trap level identified as purely thermal. In addition;we estimate the density of charge carriers after doping as well as their;mobility. We show that the concentration of mobile holes approximately;doubles by heating the device from the lowest to the highest measured;temperature. This is indicative of a second, shallow trap level of;approximately 14 meV. Dielectric spectroscopy hence proves to be a;valuable tool to assess device parameters such as dopant concentration,;charge carrier transport characteristics, and mobility which are of;crucial interest for understanding degradation in organic semiconductor;devices.;Bauer, Siegfried/A-2354-2009; Armbruster, Oskar/G-1154-2014;Armbruster, Oskar/0000-0002-4235-4451;3;0;0;0;3;1098-0121;WOS:000311806300004;;;J;Chen, Bo;Abbey, Brian;Dilanian, Ruben;Balaur, Eugeniu;van Riessen, Grant;Junker, Mark;Tran, Chanh Q.;Jones, Michael W. M.;Peele, Andrew G.;McNulty, Ian;Vine, David J.;Putkunz, Corey T.;Quiney, Harry M.;Nugent, Keith A.;Diffraction imaging: The limits of partial coherence;PHYSICAL REVIEW B;86;23;235401;10.1103/PhysRevB.86.235401;DEC 3 2012;2012;Coherent diffraction imaging (CDI) typically requires that the source;should be highly coherent both laterally and longitudinally. In this;paper, we demonstrate that lateral and longitudinal partial coherence;can be successfully included in a CDI reconstruction algorithm;simultaneously using experimental x-ray data. We study the interplay;between lateral partial coherence and longitudinal partial coherence and;their relative influence on CDI. We compare our results against the;coherence criteria published by Spence et al. [Spence et al.,;Ultramicroscopy 101, 149 (2004)] and show that for iterative ab initio;phase-recovery algorithms based on those typically used in CDI and in;cases where the coherence properties are known, we are able to relax the;minimal coherence requirements by a factor of 2 both laterally and;longitudinally, potentially yielding significant reduction in exposure;time.;Jones, Michael/M-6895-2013; Abbey, Brian/D-3274-2011;Jones, Michael/0000-0002-0720-8715;;5;1;0;0;5;1098-0121;WOS:000311806300008;;;J;Gawarecki, Krzysztof;Lueker, Sebastian;Reiter, Doris E.;Kuhn, Tilmann;Glaessl, Martin;Axt, Vollrath Martin;Grodecka-Grad, Anna;Machnikowski, Pawel;Dephasing in the adiabatic rapid passage in quantum dots: Role of;phonon-assisted biexciton generation;PHYSICAL REVIEW B;86;23;235301;10.1103/PhysRevB.86.235301;DEC 3 2012;2012;We study the evolution of an exciton confined in a quantum dot;adiabatically controlled by a frequency-swept (chirped) laser pulse in;the presence of carrier-phonon coupling. We focus on the dynamics;induced by a linearly polarized beam and analyze the decoherence due to;phonon-assisted biexciton generation. We show that if the biexciton;state is shifted down by a few meV, as is typically the case, then the;resulting decoherence is strong even at low temperatures. As a result,;efficient state preparation is restricted to a small parameter area;corresponding to low temperatures, positive chirps, and moderate pulse;areas.;Kuhn, Tilmann/C-1190-2008;6;0;0;0;6;1098-0121;WOS:000311806300006;;;J;Hellstrom, Matti;Spangberg, Daniel;Hermansson, Kersti;Broqvist, Peter;Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface;PHYSICAL REVIEW B;86;23;235302;10.1103/PhysRevB.86.235302;DEC 3 2012;2012;The formation of Cu dimers on the ZnO(10 (1) over bar0) surface has been;studied using hybrid density functional theory. Depending on the;adsorption site, Cu atoms are found to adsorb with either oxidation;state 0 or +1. In the latter case, the Cu atom has donated an electron;to the ZnO conduction band. The two modes of adsorption display similar;stability at low coverages, while at higher coverages the neutral;species is more stable. Single Cu atoms diffuse across the ZnO(10 (1);over bar0) surface with small barriers of migration (0.3-0.4 eV) along;ZnO[1 (2) over bar 10], repeatedly switching their oxidation states,;while the barrier along ZnO[0001] is significantly higher (>1.5 eV). The;formation of a Cu dimer from two adsorbed Cu atoms is energetically;favorable with two competing structures of similar stability, both being;charge neutral. The minimum energy paths for Cu atom diffusion and dimer;formation are characterized by at least one of the two Cu atoms being in;oxidation state 0.;5;0;0;0;5;1098-0121;WOS:000311806300007;;;J;Huang, Yu-Kun;Chen, Pochung;Kao, Ying-Jer;Accurate computation of low-temperature thermodynamics for quantum spin;chains;PHYSICAL REVIEW B;86;23;235102;10.1103/PhysRevB.86.235102;DEC 3 2012;2012;We apply the biorthonormal transfer-matrix renormalization group (BTMRG);[Huang, Phys. Rev. E 83, 036702 (2011)] to study low-temperature;properties of quantum spin chains. Simulations on anisotropic Heisenberg;spin-1/2 chains demonstrate that the BTMRG outperforms the conventional;transfer-matrix renormalization group by successfully accessing far;lower temperature than previously reported, while retaining the same;level of accuracy. The power of the method is further illustrated by the;calculation of the low-temperature specific heat for a frustrated spin;chain.;Kao, Ying Jer/B-5297-2009; Chen, Pochung/G-1241-2010;Kao, Ying Jer/0000-0002-3329-6018;;4;0;0;0;4;1098-0121;WOS:000311806300002;;;J;Kim, Jin Hee;Rhyee, Jong-Soo;Kwon, Yong Seung;Magnon gap formation and charge density wave effect on thermoelectric;properties in the SmNiC2 compound;PHYSICAL REVIEW B;86;23;235101;10.1103/PhysRevB.86.235101;DEC 3 2012;2012;We studied the electrical, thermal, and thermoelectric properties of the;polycrystalline compound of SmNiC2. The electrical resistivity and;magnetization measurement show the interplay between the charge density;wave at T-CDW = 150 K and the ferromagnetic ordering of T-c = 18 K.;Below the ferromagnetic transition temperature, we observed the magnon;gap formation of Delta similar or equal to 4.3- 4.4 meV by rho(T) and;C-p (T) measurements. The charge density wave is attributed to the;increase of the Seebeck coefficient resulting in the increase of the;power factor S-2 sigma. The thermal conductivity anomalously increases;with increasing temperature along the whole measured temperature range,;which implies the weak attribution of Umklapp phonon scattering. The;thermoelectric figure of merit ZT significantly increases due to the;increase of the power factor at T-CDW = 150 K. Here we argue that the;competing interaction between electron-phonon and electron-magnon;couplings exhibits the unconventional behavior of electrical and thermal;properties.;6;0;1;0;6;1098-0121;WOS:000311806300001;;;J;Osorio-Guillen, J. M.;Larrauri-Pizarro, Y. D.;Dalpian, G. M.;Pressure-induced metal-insulator transition and absence of magnetic;order in FeGa3 from a first-principles study;PHYSICAL REVIEW B;86;23;235202;10.1103/PhysRevB.86.235202;DEC 3 2012;2012;The intermetallic compound FeGa3 is a narrow-gap semiconductor with a;measured gap between 0.2 and 0.6 eV. The presence of iron d states on;the top of the valence band and on the bottom of the conduction band,;together with its moderate electronic correlation (U/W similar to 0.6),;have led to the question of whether there is magnetic order in this;compound. We have examined the possible presence of magnetism in FeGa3;as well as its electronic structure at high pressures, using the density;functional theory (DFT) + U method with the intermediated;double-counting scheme. We have found that for an optimized value of the;Yukawa screening length., there is no magnetic moment on the iron ions;(mu = 0), implying that FeGa3 is nonmagnetic. We have also found that;around a pressure of 25 GPa a metal-insulator transition takes place.;Osorio-Guillen, Jorge/B-7587-2008; Dalpian, Gustavo/B-9746-2008;Osorio-Guillen, Jorge/0000-0002-7384-8999;;3;0;0;0;3;1098-0121;WOS:000311806300005;;;J;Yuan, Xun;Zhang, Yubo;Abtew, Tesfaye A.;Zhang, Peihong;Zhang, Wenqing;VO2: Orbital competition, magnetism, and phase stability;PHYSICAL REVIEW B;86;23;235103;10.1103/PhysRevB.86.235103;DEC 3 2012;2012;The relative phase stability of VO2 is one of the most fundamental;issues concerning the metal-insulator transition in this material but;has been so far largely unexplored theoretically. We investigate the;relative stability of various phases of VO2 using different levels of;energy functionals within density functional theory (DFT). It is found;that straightforward applications of several popular energy functionals,;including the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, result in;a wrong prediction for the ground state of VO2. In particular, although;the HSE and DFT + U methods are able to produce a band gap in the M-1;phase, they strongly favor the formation of local magnetic moments, a;result that clearly disagrees with experiments. We also examine the;effect of the occupation and the redistribution of the d derived t(2g);(i.e., d(xz), d(yz), and d(x2-y2)) orbitals of V atoms on the calculated;relative phase stability of VO2. We find that a small change in d;occupation can result in a drastically different theoretical prediction.;With the introduction of an orbital-dependent potential, a complete;separation between the d(x2-y2) derived valence band and d(xz) and d(yz);derived conduction bands in the M-1 phase is achieved, resulting in a;slight redistribution of the d occupation and a more faithful account of;the polarization of the t(2g) orbitals. This slight rearrangement of the;d occupation also leads to a relative phase stability of VO2 ( including;structural and magnetic phases) that agrees well with experiment.;Zhang, Wenqing/K-1236-2012; Zhang, Peihong/D-2787-2012;4;0;0;0;4;1098-0121;WOS:000311806300003;;;J;Campi, Davide;Bernasconi, Marco;Benedek, Giorgio;Electronic properties and lattice dynamics of the As(111) surface;PHYSICAL REVIEW B;86;24;245403;10.1103/PhysRevB.86.245403;DEC 3 2012;2012;The bulk and surface electronic and structural properties of As(111);have been studied with first-principles methods. The inclusion of;spin-orbit interaction reveals that As shares the same topologically;nontrivial order of the bulk electronic bands of Sb which gives rise to;two spin-polarized surface states connecting valence-like and;conduction-like states. Bulk and surface phonons have been calculated by;means of density functional perturbation theory. The surface phonon;bands reveal features related to a remarkable stiffening of the surface;bilayer with respect to the bulk ones similarly to what is measured for;the Bi(111) and to what is expected for the Sb(111) surface.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000311806500003;;;J;Chakraborty, Akash;Wenk, Paul;Bouzerar, Richard;Bouzerar, Georges;Spontaneous magnetization in the presence of nanoscale inhomogeneities;in diluted magnetic systems;PHYSICAL REVIEW B;86;21;214402;10.1103/PhysRevB.86.214402;DEC 3 2012;2012;The presence of nanoscale inhomogeneities has been experimentally;evidenced in several diluted magnetic systems, which in turn often leads;to interesting physical phenomena. However, a proper theoretical;understanding of the underlying physics is lacking in most of the cases.;Here, we present a detailed and comprehensive theoretical study of the;effects of nanoscale inhomogeneities on the temperature-dependent;spontaneous magnetization in diluted magnetic systems, which is found to;exhibit an unusual and unconventional behavior. The effects of impurity;clustering on the magnetization response have hardly been studied until;now. We show that nanosized clusters of magnetic impurities can lead to;drastic effects on the magnetization compared to that of homogeneously;diluted compounds. The anomalous nature of the magnetization curves;strongly depends on the relative concentration of the inhomogeneities as;well as the effective range of the exchange interactions. In addition,;we also provide a systematic discussion of the nature of the;distributions of the local magnetizations.;3;0;0;0;3;1098-0121;WOS:000311805500004;;;J;Dmitriev, A. P.;Gornyi, I. V.;Polyakov, D. G.;Coulomb drag between ballistic quantum wires;PHYSICAL REVIEW B;86;24;245402;10.1103/PhysRevB.86.245402;DEC 3 2012;2012;We develop a kinetic equation description of Coulomb drag between;ballistic one-dimensional electron systems, which enables us to;demonstrate that equilibration processes between right- and left-moving;electrons are crucially important for establishing dc drag. In;one-dimensional geometry, this type of equilibration requires either;backscattering near the Fermi level or scattering with small-momentum;transfer near the bottom of the electron spectrum. Importantly, pairwise;forward scattering in the vicinity of the Fermi surface alone is not;sufficient to produce a nonzero dc drag resistivity rho(D), in contrast;to a number of works that have studied Coulomb drag due to this;mechanism of scattering before. We show that slow equilibration between;two subsystems of electrons of opposite chirality, "bottlenecked" by;inelastic collisions involving cold electrons near the bottom of the;conduction band, leads to a strong suppression of Coulomb drag, which;results in an activation dependence of rho(D) on temperature, instead of;the conventional power law. We demonstrate the emergence of a drag;regime in which rho(D) does not depend on the strength of interwire;interactions, while depending strongly on the strength of interactions;inside the wires.;4;0;0;0;4;1098-0121;WOS:000311806500002;;;J;Etz, Corina;Costa, Marcio;Eriksson, Olle;Bergman, Anders;Accelerating the switching of magnetic nanoclusters by anisotropy-driven;magnetization dynamics;PHYSICAL REVIEW B;86;22;224401;10.1103/PhysRevB.86.224401;DEC 3 2012;2012;In this work, the magnetization dynamics of clusters supported on;nonmagnetic substrates is shown to exhibit a complex response when;subjected to external magnetic fields. The field-driven magnetization;reversal of small Co clusters deposited on a Cu(111) surface has been;studied by means of first-principles calculations and atomistic spin;dynamics simulations. For applied fields ranging from 1 to 10 Tesla, we;observe a coherent magnetization reversal with switching times in the;range of several tenths of picoseconds to several nanoseconds, depending;on the field strength. We find a nonmonotonous dependence of the;switching times with respect to the strength of the applied field, which;we prove has its origin in the complex magnetic anisotropy landscape of;these low-dimensional systems. This effect is shown to be stable for;temperatures around 10 K, and is possible to realize over a range of;exchange interactions and anisotropy landscapes. Possible experimental;routes to achieve this unique switching behavior are discussed.;Bergman, Anders/H-7996-2012; Etz, Corina/E-3112-2014; Eriksson, Olle/E-3265-2014;Bergman, Anders/0000-0002-5134-1978;;3;1;0;0;3;1098-0121;WOS:000311805700003;;;J;Harada, S.;Zhou, J. J.;Yao, Y. G.;Inada, Y.;Zheng, Guo-qing;Abrupt enhancement of noncentrosymmetry and appearance of a spin-triplet;superconducting state in Li-2(Pd1-xPtx)(3)B beyond x=0.8;PHYSICAL REVIEW B;86;22;220502;10.1103/PhysRevB.86.220502;DEC 3 2012;2012;We report synthesis, Pt-195, B-11, and Li-7 NMR measurements, and;first-principles band calculations for noncentrosymmetric;superconductors Li-2(Pd1-xPtx)(3)B (x = 0, 0.2, 0.5, 0.8, 0.84, 0.9, and;1). For 0 <= x <= 0.8, the spin-lattice relaxation rate 1/T-1 shows a;clear coherence peak just below T-c, decreasing exponentially at low;temperature, and the Knight shift K-195 decreases below Tc. For x = 0.9;and 1.0, in contrast, 1/T-1 shows no coherence peak but a T-3 variation;and K-195 remains unchanged across T-c. These results indicate that the;superconducting state changes drastically from a spin-singlet dominant;to a spin-triplet dominant state at x = 0.8. We find that the distortion;of B(Pt,Pd)(6) increases abruptly above x = 0.8, which leads to an;abrupt enhancement of the asymmetric spin-orbit coupling as confirmed by;band calculation. Such structure distortion that enhances the extent of;inversion-symmetry breaking is primarily responsible for the pairing;symmetry evolution. The insight obtained here provides a guideline for;searching for noncentrosymmetric superconductors with a large;spin-triplet component.;Yao, Yugui/A-8411-2012; Zheng, Guo-qing/B-1524-2011;6;0;0;0;6;1098-0121;WOS:000311805700002;;;J;Huang, C. L.;Fritsch, V.;Kittler, W.;v. Loehneysen, H.;Low-temperature properties of CeAu2Ge2 single crystals grown from Au-Ge;and Sn flux;PHYSICAL REVIEW B;86;21;214401;10.1103/PhysRevB.86.214401;DEC 3 2012;2012;The specific heat of CeAu2Ge2 single crystals grown from Au-Ge (AGF) or;Sn flux (SF) was measured at temperatures T between 1.8 and 200 K. Two;magnetic transitions are observed in the zero-field specific heat at;12.1 and 14.5 K in the AGF sample, while only a single sharp transition;at 9.2 K is seen in the SF sample, confirming our recent susceptibility;results [Fritsch et al., Phys. Rev. B 84, 104446 (2011)]. We observe;several field-induced transitions in the magnetoresistance of the AGF;sample measured at 1.6 and 2.3 K in accordance with the B-T phase;diagram constructed from isothermal magnetization curves M(B). In;addition, we have measured M(B) under hydrostatic pressure P up to 10.5;kbar. The Neel temperature T-N increases linearly with P at a small rate;of 0.049 K/kbar, which suggests that, if T-N(P) is attributed to a pure;volume effect, this compound is close to the maximum transition;temperature of the Doniach diagram. The transition fields B-M between;the field-induced phases increase linearly with P as well. The;comparable Gruneisen parameters of T-N and B-M indicate that the energy;scale depending on the sample's volume is given by the antiferromagnetic;correlations and not by the Kondo effect. We discuss possible reasons;for the different magnetic behavior of AGF and SF samples.;Huang, Chien-Lung/O-2028-2013;2;0;0;0;2;1098-0121;WOS:000311805500003;;;J;Jadczak, J.;Kubisa, M.;Ryczko, K.;Bryja, L.;Potemski, M.;High magnetic field spin splitting of excitons in asymmetric GaAs;quantum wells;PHYSICAL REVIEW B;86;24;245401;10.1103/PhysRevB.86.245401;DEC 3 2012;2012;Low-temperature photoluminescence from high-quality GaAs quantum wells,;asymmetrically doped with carbon, are investigated under high magnetic;fields (up to 20 T) directed along the [001] growth axis. At higher;fields, in the sigma(-) polarized emission, we observe two well-resolved;lines which are attributed to the recombination of neutral (X) and;charged (X+) excitons. In contrast, only the neutral exciton line is;observed for the sigma(+) polarization. From the difference of the X;line positions for the two polarizations we determine the effective;Zeeman splitting of neutral excitons and then the g factor g(h) of;confined holes. We find that g(h) depends substantially on the well size;and changes the sign at moderate magnetic fields. To explain the;experimental results, the valence Landau levels are calculated using the;Luttinger model beyond the axial approximation. We demonstrate that;mainly the excited hole levels contribute to the excitonic state at;higher magnetic fields. Due to their light-hole character, resulting;from the valence-band mixing, the excited hole states have a sizable;overlap with the electron states confined far from the doped barrier.;The calculated values of g(h) are in an excellent quantitative agreement;with the experimental data.;2;0;0;0;2;1098-0121;WOS:000311806500001;;;J;Lane, Nina J.;Vogel, Sven C.;Hug, Gilles;Togo, Atsushi;Chaput, Laurent;Hultman, Lars;Barsoum, Michel W.;Neutron diffraction measurements and first-principles study of thermal;motion of atoms in select M(n+1)AX(n) and binary MX transition-metal;carbide phases;PHYSICAL REVIEW B;86;21;214301;10.1103/PhysRevB.86.214301;DEC 3 2012;2012;Herein, we compare the thermal vibrations of atoms in select ternary;carbides with the formula M(n+1)AX(n) ("MAX phases," M = Ti, Cr; A = Al,;Si, Ge; X = C, N) as determined from first-principles phonon;calculations to those obtained from high-temperature neutron powder;diffraction studies. The transition metal carbides TiC, TaC, and WC are;also studied to test our methodology on simpler carbides. Good;qualitative and quantitative agreement is found between predicted and;experimental values for the binary carbides. For all the MAX phases;studied-Ti3SiC2, Ti3GeC2, Ti2AlN, Cr2GeC and Ti4AlN3-density functional;theory calculations predict that the A element vibrates with the highest;amplitude and does so anisotropically with a higher amplitude within the;basal plane, which is in line with earlier results from high-temperature;neutron diffraction studies. In some cases, there are quantitative;differences in the absolute values between the theoretical and;experimental atomic displacement parameters (ADPs), such as reversal of;anisotropy or a systematic offset of temperature-dependent ADPs. The;mode-dependent Gruneisen parameters are also computed to explore the;anharmonicity in the system.;Lujan Center, LANL/G-4896-2012;4;0;0;0;4;1098-0121;WOS:000311805500002;;;J;Niemann, R.;Baro, J.;Heczko, O.;Schultz, L.;Faehler, S.;Vives, E.;Manosa, L.;Planes, A.;Tuning avalanche criticality: Acoustic emission during the martensitic;transformation of a compressed Ni-Mn-Ga single crystal;PHYSICAL REVIEW B;86;21;214101;10.1103/PhysRevB.86.214101;DEC 3 2012;2012;The propagation of a phase front during a thermally induced martensitic;transition is discontinuous due to pinning at various defects, an effect;which results in acoustic emission. Here we analyze the consequences of;an applied compressive stress exemplarily on a Ni50.4Mn27.9Ga21.7 single;crystal. Our experiments show that the distribution of the energies of;the acoustic emission events follows a power law for more than three;decades. This indicates that the transition exhibits avalanche;criticality. The exponent characterizing the distribution of energies;depends on the applied stress, and decreases from 1.9 +/- 0.1 at zero;stress to 1.5 +/- 0.2 at stress above 3 MPa. This decrease could be;attributed to the reduced multiplicity of variants possible under;uniaxial compression.;Niemann, Robert/F-3634-2012; Schultz, Ludwig/B-3383-2010; Manosa, Lluis/D-8579-2014; Heczko, Oleg/G-9355-2014; Vives, Eduard/I-4821-2014;Manosa, Lluis/0000-0002-1182-2670; Vives, Eduard/0000-0002-5916-7214;4;0;0;0;4;1098-0121;WOS:000311805500001;;;J;Usui, Hidetomo;Suzuki, Katsuhiro;Kuroki, Kazuhiko;Minimal electronic models for superconducting BiS2 layers;PHYSICAL REVIEW B;86;22;220501;10.1103/PhysRevB.86.220501;DEC 3 2012;2012;We construct minimal electronic models for a newly discovered;superconductor LaO1-xFxBiS2 (T-c = 10.6 K) possessing BiS2 layers based;on a first-principles band calculation. First, we obtain a model;consisting of two Bi 6p and two S 3p orbitals, which give nearly;electron-hole symmetric bands. Further focusing on the bands that;intersect the Fermi level, we obtain a model with two p orbitals. The;two bands (per BiS2 layer) have a quasi-one-dimensional character with a;double minimum dispersion, which gives good nesting of the Fermi;surface. At around x similar to 0.5 the topology of the Fermi surface;changes, so that the density of states at the Fermi level becomes large.;Possible pairing states are discussed.;42;0;0;0;42;1098-0121;WOS:000311805700001;;;J;Cammarata, Antonio;Rondinelli, James M.;Spin-assisted covalent bond mechanism in "charge-ordering" perovskite;oxides;PHYSICAL REVIEW B;86;19;195144;10.1103/PhysRevB.86.195144;NOV 30 2012;2012;First-principles density functional calculations on the metal-insulator;transition (MIT) in perovskite CaFeO3 point to local ferromagnetic;coupling as the microscopic origin for the electronic "charge order";transition. Our atomic, electronic, and magnetic structure analyses;reveal that the MIT results from a spin-assisted covalent bonding;mechanism between the O 2p and Fe 3d states with anisotropic Fe-O bonds;and negligible intersite Fe-Fe charge transfer. We suggest that control;of the lattice distortions, which mediate the covalent bond formation,;in oxides containing late transition-metal row cations in high valence;states provides a platform to tailor electronic transitions.;Rondinelli, James/A-2071-2009; Cammarata, Antonio/A-4883-2014;Rondinelli, James/0000-0003-0508-2175; Cammarata,;Antonio/0000-0002-5691-0682;7;0;0;0;7;1098-0121;WOS:000311715000003;;;J;Clem, John R.;Kogan, V. G.;Kinetic impedance and depairing in thin and narrow superconducting films;PHYSICAL REVIEW B;86;17;174521;10.1103/PhysRevB.86.174521;NOV 30 2012;2012;We use both Eilenberger-Usadel and Ginzburg-Landau (GL) theory to;calculate the superfluid's temperature-dependent kinetic inductance for;all currents up to the depairing current in thin and narrow;superconducting films. The calculations apply to BCS weak-coupling;superconductors with isotropic gaps and transport mean-free paths much;less than the BCS coherence length. The kinetic inductance is calculated;for the response to a small alternating current when the film is;carrying a dc bias current. In the slow-experiment/fast-relaxation;limit, in which the superconducting order parameter quasistatically;follows the time-dependent current, the kinetic inductance diverges as;the bias current approaches the depairing value. However, in the;fast-experiment/slow-relaxiation limit, in which the the superconducting;order parameter remains fixed at a value corresponding to the dc bias;current, the kinetic inductance rises to a finite value at the depairing;current. We then use time-dependent GL theory to calculate the kinetic;impedance of the superfluid, which includes not only the kinetic;reactance, but also the kinetic resistance of the superfluid arising;from dissipation due to order-parameter relaxation. The kinetic;resistance is largest for angular frequencies omega obeying omega tau(s);> 1, where tau(s) is the order-parameter relaxation time, and for bias;currents close to the depairing current. We also include the normal;fluid's contribution to dissipation in deriving an expression for the;total kinetic impedance. The Appendices contain many details about the;temperature-dependent behavior of superconductors carrying current up to;the depairing value.;3;0;0;0;3;1098-0121;WOS:000311714600005;;;J;Cohn, J. L.;Boynton, P.;Trivino, J. S.;Trastoy, J.;White, B. D.;dos Santos, C. A. M.;Neumeier, J. J.;Stoichiometry, structure, and transport in the quasi-one-dimensional;metal Li0.9Mo6O17;PHYSICAL REVIEW B;86;19;195143;10.1103/PhysRevB.86.195143;NOV 30 2012;2012;A correlation between lattice parameters, oxygen composition, and the;thermoelectric and Hall coefficients is presented for single-crystal;Li0.9Mo6O17, a quasi-one-dimensional (Q1D) metallic compound. The;possibility that this compound is a compensated metal is discussed in;light of a substantial variability observed in the literature for these;transport coefficients.;1;0;0;0;1;1098-0121;WOS:000311715000002;;;J;Crepaldi, A.;Ressel, B.;Cilento, F.;Zacchigna, M.;Grazioli, C.;Berger, H.;Bugnon, Ph.;Kern, K.;Grioni, M.;Parmigiani, F.;Ultrafast photodoping and effective Fermi-Dirac distribution of the;Dirac particles in Bi2Se3;PHYSICAL REVIEW B;86;20;205133;10.1103/PhysRevB.86.205133;NOV 30 2012;2012;We exploit time- and angle-resolved photoemission spectroscopy to;determine the evolution of the out-of-equilibrium electronic structure;of the topological insulator Bi2Se3. The response of the Fermi-Dirac;distribution to ultrashort IR laser pulses has been studied by modeling;the dynamics of hot electrons after optical excitation. We disentangle a;large increase in the effective temperature (T*) from a shift of the;chemical potential (mu*), which is consequence of the ultrafast;photodoping of the conduction band. The relaxation dynamics of T* and;mu* are k independent and these two quantities uniquely define the;evolution of the excited charge population. We observe that the energy;dependence of the nonequilibrium charge population is solely determined;by the analytical form of the effective Fermi-Dirac distribution.;14;1;0;0;14;1098-0121;WOS:000311715100007;;;J;Dumlich, Heiko;Reich, Stephanie;Nanotube bundles and tube-tube orientation: A van der Waals density;functional study (vol 84, 064121, 2011);PHYSICAL REVIEW B;86;17;179905;10.1103/PhysRevB.86.179905;NOV 30 2012;2012;0;0;0;0;0;1098-0121;WOS:000311714600007;;;J;Fukutani, Keisuke;Hayashi, Hirokazu;Yakovkin, Ivan N.;Habuchi, Takafumi;Hirayama, Daisuke;Jiang, Jian;Iwasawa, Hideaki;Shimada, Kenya;Losovyj, Ya. B.;Dowben, Peter A.;Enhanced electron-phonon coupling at the Au/Mo(112) surface;PHYSICAL REVIEW B;86;20;205432;10.1103/PhysRevB.86.205432;NOV 30 2012;2012;A detailed investigation of the electronic structure and electron-phonon;coupling for a Au monolayer on the Mo(112) surface is presented. The;electronic states of bulk Mo and the (112) surface-derived states are;seen to strongly hybridize with those of the Au overlayer, resulting in;the formation of surface resonance states localized near the surface and;the interface of Au/Mo(112). The experimentally extracted self-energy;due to the electron-phonon coupling on one of the surface resonance;bands gives a good quantitative agreement with the calculations. The;strength of electron-phonon coupling for Au/Mo(112) is discussed in;terms of the mass enhancement factor and is considerably larger than for;the Mo(112) surface. Such an increase in the mass enhancement factor in;the vicinity of the Fermi level likely derives from the soft surface;phonon modes created upon Au adsorption.;2;0;0;0;2;1098-0121;WOS:000311715100011;;;J;Hamada, Ikutaro;Adsorption of water on graphene: A van der Waals density functional;study;PHYSICAL REVIEW B;86;19;195436;10.1103/PhysRevB.86.195436;NOV 30 2012;2012;The van der Waals density functional (vdW-DF) was used to investigate;the interaction of a water monomer with graphene. It was found that a;variant of vdW-DF [Hamada and Otani, Phys. Rev. B 82, 153412 (2010)];predicts geometries and energetics of water on graphene which are in;good agreement with those obtained using more elaborate random-phase;approximation and quantum Monte Carlo approaches. Interfacial electronic;structures were also analyzed in detail.;Hamada, Ikutaro/E-8040-2010;Hamada, Ikutaro/0000-0001-5112-2452;12;1;0;0;12;1098-0121;WOS:000311715000010;;;J;Hofmann, D.;Kuemmel, S.;Integer particle preference during charge transfer in Kohn-Sham theory;PHYSICAL REVIEW B;86;20;201109;10.1103/PhysRevB.86.201109;NOV 30 2012;2012;We investigate the static and dynamic charge transfer that is triggered;by external electric fields in model molecular wires. A self-interaction;correction in Kohn-Sham density functional theory leads to the desired;integer electron transfers that do not occur with standard functionals;which miss Coulomb blockade effects. Analysis of the multiplicative;exchange-correlation potential in stationary cases and during real-time;propagation shows how the local exchange-correlation potential builds up;step and reverse-step structures that enforce the integer particle;preference. The role of spin-symmetry breaking is discussed.;Kummel, Stephan/K-5634-2014;8;0;0;0;8;1098-0121;WOS:000311715100002;;;J;Illg, Christian;Meyer, Bernd;Faehnle, Manfred;Frequencies and polarization vectors of phonons: Results from force;constants which are fitted to experimental data or calculated ab initio;PHYSICAL REVIEW B;86;17;174309;10.1103/PhysRevB.86.174309;NOV 30 2012;2012;The properties of phonons may be calculated from the dynamical matrix;which is determined by force constants. Often the force constants are;obtained by fitting them to experimental phonon frequencies, e. g., for;wave vectors q on high-symmetry directions of the Brillouin zone. It is;well known that these force constants do not necessarily lead to correct;frequencies for wave vectors for nonsymmetrical q and to correct;polarization vectors. In the present paper this is demonstrated by;comparing for fcc Ni, fcc Al, and bcc Fe the frequencies and;polarization vectors calculated from fitted force constants with the;results from ab initio calculated force constants. However, for most;regions of the Brillouin zone the differences between the results;obtained from the two sets of force constants are not large.;1;0;0;0;1;1098-0121;WOS:000311714600003;;;J;Iori, Federico;Rodolakis, Fanny;Gatti, Matteo;Reining, Lucia;Upton, M.;Shvyd'ko, Y.;Rueff, Jean-Pascal;Marsi, Marino;Low-energy excitations in strongly correlated materials: A theoretical;and experimental study of the dynamic structure factor in V2O3;PHYSICAL REVIEW B;86;20;205132;10.1103/PhysRevB.86.205132;NOV 30 2012;2012;This work contains an experimental and theoretical study of the dynamic;structure factor at large momentum transfer vertical bar Q vertical bar;similar to 4 angstrom(-1) of the strongly correlated transition-metal;oxide V2O3. We focus in particular on the transitions between d states;that give rise to the spectra below 6 eV. We show that the main peak in;this energy range is mainly due to t(2g) -> e(g)(sigma) transitions, and;that it carries a signature of the phase transition between the;paramagnetic insulator and the paramagnetic metal that can already be;understood from the joint density of states calculated at the level of;the static local density approximation. Instead, in order to obtain;theoretical spectra that are overall similar to the measured ones, we;have to go beyond the static approximation and include at least crystal;local field effects. The latter turn out to be crucial in order to;eliminate a spurious peak and hence allow a safe comparison between;theory and experiment, including an analysis of the strong anisotropy of;the spectra.;CSIC-UPV/EHU, CFM/F-4867-2012; Iori, Federico/E-5372-2013; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Iori, Federico/0000-0002-7677-3435;;4;0;0;0;4;1098-0121;WOS:000311715100006;;;J;Kharitonov, Maxim;Antiferromagnetic state in bilayer graphene;PHYSICAL REVIEW B;86;19;195435;10.1103/PhysRevB.86.195435;NOV 30 2012;2012;Motivated by the recent experiment of Velasco Jr. et al. [J. Velasco Jr.;et al., Nat. Nanotechnology 7, 156 (2012)], we develop a mean-field;theory of the interaction-induced antiferromagnetic (AF) state in;bilayer graphene at charge neutrality point at arbitrary perpendicular;magnetic field B. We demonstrate that the AF state can persist at all B.;At higher B, the state continuously crosses over to the AF phase of the;nu = 0 quantum Hall ferromagnet, recently argued to be realized in the;insulating nu = 0 state. The mean-field quasiparticle gap is finite at B;= 0 and grows with increasing B, becoming quasilinear in the quantum;Hall regime, in accord with the reported behavior of the transport gap.;By adjusting the two free parameters of the model, we obtain a;simultaneous quantitative agreement between the experimental and;theoretical values of the key parameters of the gap dependence-its;zero-field value and slope at higher fields. Our findings suggest that;the insulating state observed in bilayer graphene in Ref. 1 is;antiferromagnetic (canted, once the Zeeman effect is taken into account);at all magnetic fields.;19;1;0;0;19;1098-0121;WOS:000311715000009;;;J;Klos, J. W.;Kumar, D.;Romero-Vivas, J.;Fangohr, H.;Franchin, M.;Krawczyk, M.;Barman, A.;Effect of magnetization pinning on the spectrum of spin waves in;magnonic antidot waveguides;PHYSICAL REVIEW B;86;18;184433;10.1103/PhysRevB.86.184433;NOV 30 2012;2012;We study the spin-wave spectra in magnonic antidot waveguides (MAWs) for;two limiting cases (strong and negligible) of the surface anisotropy at;the ferromagnet/air interface. The MAWs under investigation have the;form of a thin stripe of permalloy with a single row of periodically;arranged antidots in the middle. The introduction of a magnetization;pinning at the edges of the permalloy stripe and the edges of antidots;is found to modify the spin-wave spectrum. This effect is shown to be;necessary for magnonic gaps to open in the considered systems. Our study;demonstrates that the surface anisotropy can be crucial in the practical;applications of MAWs and related structures and in the interpretation of;experimental results in one-and two-dimensional magnonic crystals. We;used three different numerical methods, i.e., plane waves method (PWM),;finite difference method, and finite element method to validate the;results. We showed that PWM in the present formulation assumes pinned;magnetization, while in micromagnetic simulations special care must be;taken to introduce pinning.;Fangohr, Hans/C-6367-2008; Klos, Jaroslaw/G-9728-2012;Fangohr, Hans/0000-0001-5494-7193; Klos, Jaroslaw/0000-0002-5858-2950;13;2;0;0;13;1098-0121;WOS:000311714700002;;;J;Kolata, K.;Koester, N. S.;Chernikov, A.;Drexler, M. J.;Gatti, E.;Cecci, S.;Chrastina, D.;Isella, G.;Guzzi, M.;Chatterjee, S.;Dephasing in Ge/SiGe quantum wells measured by means of coherent;oscillations;PHYSICAL REVIEW B;86;20;201303;10.1103/PhysRevB.86.201303;NOV 30 2012;2012;We present a dephasing time analysis of the excitonic resonances in;Ge/SiGe quantum wells for various lattice temperatures by coherent;oscillation spectroscopy (COS). The results are compared to the;linewidths of the excitonic resonances determined from linear absorption;measurements. Additionally, COS is applied to different samples with;varying linewidth, identifying one sample with a dominating;homogeneously broadened 1s excitonic resonance down to 7 K.;Chatterjee, Sangam/E-3124-2012;2;0;0;0;2;1098-0121;WOS:000311715100003;;;J;Lang, Li-Jun;Chen, Shu;Majorana fermions in density-modulated p-wave superconducting wires;PHYSICAL REVIEW B;86;20;205135;10.1103/PhysRevB.86.205135;NOV 30 2012;2012;We study the p-wave superconducting wire with a periodically modulated;chemical potential and show that the Majorana edge states are robust;against the periodic modulation. We find that the critical amplitude of;modulated potential, at which the Majorana edge fermions and topological;phase disappear, strongly depends on the phase shifts. For some specific;values of the phase shift, the critical amplitude tends to infinity. The;existence of Majorana edge fermions in the open chain can be;characterized by a topological Z(2) invariant of the bulk system, which;can be applied to determine the phase boundary between the topologically;trivial and nontrivial superconducting phases. We also demonstrate the;existence of the zero-energy peak in the spectral function of the;topological superconducting phase, which is only sensitive to the open;boundary condition but robust against the disorder.;Lang, Li-Jun/C-2815-2014;Lang, Li-Jun/0000-0001-6038-8340;11;0;0;0;11;1098-0121;WOS:000311715100009;;;J;Lazicki, Amy;Dewaele, Agnes;Loubeyre, Paul;Mezouar, Mohamed;High-pressure-temperature phase diagram and the equation of state of;beryllium;PHYSICAL REVIEW B;86;17;174118;10.1103/PhysRevB.86.174118;NOV 30 2012;2012;X-ray diffraction of beryllium in a laser-heated diamond anvil cell;provides experimental insight into its behavior at high pressure and;temperature. We measure the cold compression of Be in helium and NaCl;pressure media up 192 GPa, and its thermal expansion up to 82 GPa and;2630 K. The new measurements form a P-V-T data set which is fit by the;Vinet-Debye form to establish a Be experimental equation of state. We;compare the results to several theoretical models. The crystal structure;of Be is determined up to 205 GPa and 4000 K; no evidence for the;predicted high-temperature transition to a cubic phase is found.;Finally, the maximum temperature stability of the solid phase along;isobaric heating ramps gives a lower bound for the melting curve.;5;0;0;0;5;1098-0121;WOS:000311714600002;;;J;Li, J.;Ekuma, C. E.;Vekhter, I.;Jarrell, M.;Moreno, J.;Stadler, S.;Karki, A. B.;Jin, R.;Physical properties of Ba2Mn2Sb2O single crystals;PHYSICAL REVIEW B;86;19;195142;10.1103/PhysRevB.86.195142;NOV 30 2012;2012;We report both experimental and theoretical investigations of the;physical properties of Ba2Mn2Sb2O single crystals. This material;exhibits a hexagonal structure with lattice constants a = 4.7029(15) A;and c = 19.9401(27) A, as obtained from powder x-ray diffraction;measurements, and in agreement with structural optimization through;density functional theory (DFT) calculations. The magnetic;susceptibility and specific heat show anomalies at T-N = 60 K,;consistent with antiferromagnetic ordering. However, the magnitude of;T-N is significantly smaller than the Curie-Weiss temperature (vertical;bar Theta(CW)vertical bar approximate to 560 K), suggesting a magnetic;system of reduced dimensionality. The temperature dependence of both the;in-plane and out-of-plane resistivity changes from activated at T > T-x;similar to 200 K to logarithmic at T < T-x. Correspondingly, the;magnetic susceptibility displays a bump at T-x. DFT calculations at the;DFT + U level support the experimental observation of an;antiferromagnetic ground state.;Vekhter, Ilya/M-1780-2013; Moreno, Juana/D-5882-2012;0;0;0;0;0;1098-0121;WOS:000311715000001;;;J;Mafra, D. L.;Kong, J.;Sato, K.;Saito, R.;Dresselhaus, M. S.;Araujo, P. T.;Using gate-modulated Raman scattering and electron-phonon interactions;to probe single-layer graphene: A different approach to assign phonon;combination modes;PHYSICAL REVIEW B;86;19;195434;10.1103/PhysRevB.86.195434;NOV 30 2012;2012;Gate-modulated and laser-dependent Raman spectroscopy have been widely;used to study q = 0 zone center phonon modes, their self-energy, and;their coupling to electrons in graphene systems. In this work we use;gate-modulated Raman of q not equal 0 phonons as a technique to;understand the nature of five second-order Raman combination modes;observed in the frequency range of 1700-2300 cm(-1) of single-layer;graphene (SLG). Anomalous phonon self-energy renormalization phenomena;are observed in all five combination modes within this intermediate;frequency region, which can clearly be distinguished from one another.;By combining the anomalous phonon renormalization effect with the double;resonance Raman theory, which includes both phonon dispersion relations;and angular dependence of the electron-phonon scattering matrix;elements, and by comparing it to the experimentally obtained phonon;dispersion, measured by using different laser excitation energies, we;can assign each Raman peak to the proper phonon combination mode. This;approach should also shed light on the understanding of more complex;structures such as few-layer graphene (FLG) and its stacking orders as;well as other two-dimensional (2D)-like materials.;Sato, Kentaro/B-7163-2008; Saito, Riichiro/B-1132-2008;Sato, Kentaro/0000-0001-6706-2175;;5;2;1;0;5;1098-0121;WOS:000311715000008;;;J;Mazza, Giacomo;Fabrizio, Michele;Dynamical quantum phase transitions and broken-symmetry edges in the;many-body eigenvalue spectrum;PHYSICAL REVIEW B;86;18;184303;10.1103/PhysRevB.86.184303;NOV 30 2012;2012;Many-body models undergoing a quantum phase transition to a;broken-symmetry phase that survives up to a critical temperature must;possess, in the ordered phase, symmetric as well as nonsymmetric;eigenstates. We predict, and explicitly show in the fully connected;Ising model in a transverse field, that these two classes of eigenstates;do not overlap in energy, and therefore that an energy edge exists;separating low-energy symmetry-breaking eigenstates from high-energy;symmetry-invariant ones. This energy is actually responsible, as we;show, for the dynamical phase transition displayed by this model under a;sudden large increase of the transverse field. A second situation we;consider is the opposite, where the symmetry-breaking eigenstates are;those in the high-energy sector of the spectrum, whereas the low-energy;eigenstates are symmetric. In that case too a special energy must exist;marking the boundary and leading to unexpected out-of-equilibrium;dynamical behavior. An example is the fermonic repulsive Hubbard model;Hamiltonian H. Exploiting the trivial fact that the high-energy spectrum;of H is also the low-energy one of -H, we conclude that the high-energy;eigenstates of the Hubbard model are superfluid. Simulating in a;time-dependent Gutzwiller approximation the time evolution of a;high-energy BCS-like trial wave function, we show that a small;superconducting order parameter will actually grow in spite of the;repulsive nature of the interaction.;fabrizio, michele/N-3762-2014;2;0;0;0;2;1098-0121;WOS:000311714700001;;;J;Mueller, T.;Aharonovich, I.;Wang, Z.;Yuan, X.;Castelletto, S.;Prawer, S.;Atatuere, M.;Phonon-induced dephasing of chromium color centers in diamond;PHYSICAL REVIEW B;86;19;195210;10.1103/PhysRevB.86.195210;NOV 30 2012;2012;We report on the coherence properties of single photons from;chromium-based color centers in diamond. We use field-correlation and;spectral line-shape measurements to reveal the interplay between slow;spectral wandering and fast dephasing mechanisms as a function of;temperature. The zero-phonon transition frequency and its linewidth;follow a power-law dependence on temperature, which is consistent with;direct electron-phonon coupling and phonon-modulated Coulomb coupling to;nearby impurities, which are the predominant fast dephasing mechanisms;for these centers. Further, the observed reduction in the quantum yield;for photon emission as a function of temperature suggests the opening of;additional nonradiative channels through thermal activation to;higher-energy states and indicates a near-unity quantum efficiency at 4;K.;castelletto, stefania/G-1516-2011; McKenzie, Warren/J-2137-2014;3;0;0;0;3;1098-0121;WOS:000311715000007;;;J;Murthy, Ganpathy;Shankar, R.;Hamiltonian theory of fractionally filled Chern bands;PHYSICAL REVIEW B;86;19;195146;10.1103/PhysRevB.86.195146;NOV 30 2012;2012;There is convincing numerical evidence that fractional quantum-Hall-like;ground states arise in fractionally filled Chern bands. Here, we show;that the Hamiltonian theory of composite fermions (CF) can be as useful;in describing these states as it was in describing the fractional;quantum Hall effect (FQHE) in the continuum. We are able to introduce;CFs into the fractionally filled Chern-band problem in two stages.;First, we construct an algebraically exact mapping which expresses the;electron density projected to the Chern band rho(FCB) as a sum of;Girvin-MacDonald-Platzman density operators rho(GMP) that obey the;magnetic translation algebra. Next, following our Hamiltonian treatment;of the FQH problem, we rewrite the operators rho(GMP) in terms of CF;variables which reproduce the same algebra. This naturally produces a;unique Hartree-Fock ground state for the CFs, which can be used as a;springboard for computing gaps, response functions,;temperature-dependent phenomena, and the influence of disorder. We give;two concrete examples, one of which has no analog in the continuum FQHE;with nu = 1/5 and sigma(xy) = 2/5. Our approach can be easily extended;to fractionally filled, strongly interacting two-dimensional;time-reversal-invariant topological insulators.;15;0;0;0;15;1098-0121;WOS:000311715000005;;;J;Ovsyannikov, Sergey V.;Morozova, Natalia V.;Karkin, Alexander E.;Shchennikov, Vladimir V.;High-pressure cycling of hematite alpha-Fe2O3: Nanostructuring, in situ;electronic transport, and possible charge disproportionation;PHYSICAL REVIEW B;86;20;205131;10.1103/PhysRevB.86.205131;NOV 30 2012;2012;We studied electronic transport properties of hematite (alpha-Fe2O3) at;room temperature under cycling of high pressure up to similar to 22 GPa.;The original samples and those recovered after high-pressure experiments;were examined by x-ray diffraction and Raman and optical absorption;spectroscopy. At ambient pressure the original samples were also;characterized by temperature measurements of electrical and;galvanomagnetic properties. Upon compression, the original single;crystals underwent a sluggish structural deconfinement starting above 5;GPa into a nanometric state. Above 5-7 GPa, the nanostructured hematite;showed a reversible transition to a state with enhanced electrical;conductivity and moderate values of thermoelectric power (Seebeck;effect) of about -150 mu V/K. This electronic phase corresponds to;neither conventional trivalent oxidation state of the iron ions in;hematite nor metallic conductivity. Analysis of the electronic transport;data in the frameworks of two models, of polaron hopping, and of;intrinsic semiconductor conductivity, revealed a change from the;electron conductivity to two-band electrical conductivity and suggested;that the observed enhancement of the electrical properties in;nanocrystalline alpha-Fe2O3 above 5-7 GPa is related to the;mixed-valence state of the iron ions. Since alpha-Fe2O3 is believed to;undergo a "spin-flop" (Morin) transition near 2-5 GPa at room;temperature, we discuss potential contributions of magnetoelastic and;other effects to the observed high-pressure properties of hematite.;Ovsyannikov, Sergey/J-7802-2012; Morozova, Natalia/J-3568-2013; Karkin, Alexander/J-6712-2013; Shchennikov, Vladimir/J-8533-2013;Morozova, Natalia/0000-0002-2377-1372; Karkin,;Alexander/0000-0003-0464-4762; Shchennikov, Vladimir/0000-0003-2887-1652;4;0;0;0;4;1098-0121;WOS:000311715100005;;;J;Pielawa, Susanne;Berg, Erez;Sachdev, Subir;Frustrated quantum Ising spins simulated by spinless bosons in a tilted;lattice: From a quantum liquid to antiferromagnetic order;PHYSICAL REVIEW B;86;18;184435;10.1103/PhysRevB.86.184435;NOV 30 2012;2012;We study spinless bosons in a decorated square lattice with a;near-diagonal tilt. The resonant subspace of the tilted Mott insulator;is described by an effective Hamiltonian of frustrated quantum Ising;spins on a nonbipartite lattice. This generalizes an earlier proposal;for the unfrustrated quantum Ising model in one dimension which was;realized in a recent experiment on ultracold Rb-87 atoms in an optical;lattice. Very close to diagonal tilt, we find a quantum liquid state;which is continuously connected to the paramagnet. Frustration can be;reduced by increasing the tilt angle away from the diagonal, and the;system undergoes a transition to an antiferromagnetically ordered state.;Using quantum Monte Carlo simulations and exact diagonalization, we find;that for realistic system sizes the antiferromagnetic order appears to;be quasi-one-dimensional, however, in the thermodynamic limit the order;is two-dimensional.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;1;0;0;0;1;1098-0121;WOS:000311714700004;;;J;Popov, V. V.;Polischuk, O. V.;Davoyan, A. R.;Ryzhii, V.;Otsuji, T.;Shur, M. S.;Plasmonic terahertz lasing in an array of graphene nanocavities;PHYSICAL REVIEW B;86;19;195437;10.1103/PhysRevB.86.195437;NOV 30 2012;2012;We propose a novel concept of terahertz lasing based on stimulated;generation of plasmons in a planar array of graphene resonant;micro/nanocavities strongly coupled to terahertz radiation. Due to the;strong plasmon confinement and superradiant nature of terahertz emission;by the array of plasmonic nanocavities, the amplification of terahertz;waves is enhanced by many orders of magnitude at the plasmon resonance;frequencies. We show that the lasing regime is ensured by the balance;between the plasmon gain and plasmon radiative damping.;Davoyan, Artur/K-8567-2013;Davoyan, Artur/0000-0002-4662-1158;15;0;0;0;15;1098-0121;WOS:000311715000011;;;J;Romanov, Sergei G.;Vogel, Nicolas;Bley, Karina;Landfester, Katharina;Weiss, Clemens K.;Orlov, Sergej;Korovin, Alexander V.;Chuiko, Gennady P.;Regensburger, Alois;Romanova, Alexandra S.;Kriesch, Arian;Peschel, Ulf;Probing guided modes in a monolayer colloidal crystal on a flat metal;film;PHYSICAL REVIEW B;86;19;195145;10.1103/PhysRevB.86.195145;NOV 30 2012;2012;Two-dimensional slab hybrid metal-dielectric photonic crystals, which;are prepared by assembling polymer colloidal spheres into closely packed;monolayers of hexagonal symmetry on a gold-coated glass substrate, show;an improved confinement of light compared with a colloidal monolayer on;a glass substrate. We demonstrated that the optical response of such;hybrid crystals consists of diffractively coupled waveguiding modes,;Fabry-Perot resonances, and Mie resonances. Correspondingly, two major;mechanisms, namely, band transport and hopping of localized excitations,;participate in the in-plane light transport in such hybrid crystals.;Weiss, Clemens/C-9932-2009; Peschel, Ulf/C-3356-2013; Romanov, Sergei/H-6868-2013; Kriesch, Arian/A-7337-2011;Weiss, Clemens/0000-0001-8559-0385; Romanov, Sergei/0000-0003-0546-9505;;Kriesch, Arian/0000-0002-8347-0344;6;1;0;0;6;1098-0121;WOS:000311715000004;;;J;Schoop, Leslie;Muechler, Lukas;Schmitt, Jennifer;Ksenofontov, Vadim;Medvedev, Sergey;Nuss, Juergen;Casper, Frederick;Jansen, Martin;Cava, R. J.;Felser, Claudia;Effect of pressure on superconductivity in NaAlSi;PHYSICAL REVIEW B;86;17;174522;10.1103/PhysRevB.86.174522;NOV 30 2012;2012;The ternary superconductor NaAlSi, isostructural with LiFeAs, the "111";iron pnictide superconductor, is investigated under pressure. The;structure remains stable up to 15 GPa. Resistivity and susceptibility;measurements show an increase of T-c up to 2 GPa, followed by a decrease;until superconductivity disappears at 4.8 GPa. Band structure;calculations show that pressure should have a negligible effect on the;electronic structure and the Fermi surface and thus the disappearance of;superconductivity under pressure must have a different origin. We;compare the electronic structure of NaAlSi under pressure with that of;nonsuperconducting isostructural NaAlGe.;Felser, Claudia/A-5779-2009; Casper, Frederick/A-5782-2009; Nuss, Juergen/G-2711-2010; Muchler, Lukas/A-4628-2013; Schoop, Leslie/A-4627-2013;Nuss, Juergen/0000-0002-0679-0184; Schoop, Leslie/0000-0003-3459-4241;1;0;0;0;1;1098-0121;WOS:000311714600006;;;J;Schwier, E. F.;Scherwitzl, R.;Vydrova, Z.;Garcia-Fernandez, M.;Gibert, M.;Zubko, P.;Garnier, M. G.;Triscone, J. -M.;Aebi, P.;Unusual temperature dependence of the spectral weight near the Fermi;level of NdNiO3 thin films;PHYSICAL REVIEW B;86;19;195147;10.1103/PhysRevB.86.195147;NOV 30 2012;2012;We investigate the behavior of the spectral weight near the Fermi level;of NdNiO3 thin films as a function of temperature across the;metal-to-insulator transition (MIT) by means of ultraviolet;photoelectron spectroscopy. The spectral weight was found to exhibit;thermal hysteresis, similar to that of the dc conductivity. A detailed;analysis of the temperature dependence reveals two distinct regimes of;spectral loss close to the Fermi level. The temperature evolution of one;regime is found to be independent of the MIT.;Garcia-Fernandez, Mirian/B-6018-2013; Zubko, Pavlo/B-5496-2009;Zubko, Pavlo/0000-0002-7330-3163;2;0;0;0;2;1098-0121;WOS:000311715000006;;;J;Sen, Arnab;Damle, Kedar;Moessner, R.;Vacancy-induced spin textures and their interactions in a classical spin;liquid;PHYSICAL REVIEW B;86;20;205134;10.1103/PhysRevB.86.205134;NOV 30 2012;2012;Motivated by experiments on the archetypal frustrated magnet;SrCr9pGa12-9pO19 (SCGO), we study the classical Heisenberg model on the;pyrochlore slab (kagome bilayer) lattice with site dilution x = 1 - p.;This allows us to address generic aspects of the physics of nonmagnetic;vacancies in a classical spin liquid. We explicitly demonstrate that the;pure (x = 0) system remains a spin liquid down to the lowest;temperatures, with an unusual nonmonotonic temperature dependence of the;susceptibility, which even turns diamagnetic for the apical spins;between the two kagome layers. For x > 0 but small, the low-temperature;magnetic response of the system is most naturally described in terms of;the properties of spatially extended spin textures that cloak an;"orphan" S = 3/2 Cr3+ spin in direct proximity to a pair of missing;sites belonging to the same triangular simplex. In the T -> 0 limit,;these orphan-texture complexes each carry a net magnetization that is;exactly half the magnetic moment of an individual spin of the undiluted;system. Furthermore, we demonstrate that they interact via an entropic;temperature-dependent pairwise exchange interaction J(eff) (T,(r) over;right arrow) similar to T J ((r) over right arrow root T) that has a;logarithmic form at short distances and decays exponentially beyond a;thermal correlation length xi(T) similar to 1/root T. The sign of J(eff);depends on whether the two orphan spins belong to the same kagome layer;or not. We provide a detailed analytical account of these properties;using an effective field theory approach specifically tailored for the;problem at hand. These results are in quantitative agreement with;large-scale Monte Carlo numerics.;3;1;0;0;3;1098-0121;WOS:000311715100008;;;J;Solanki, Ravindra Singh;Mishra, S. K.;Senyshyn, Anatoliy;Ishii, I.;Moriyoshi, Chikako;Suzuki, Takashi;Kuroiwa, Yoshihiro;Pandey, Dhananjai;Antiferrodistortive phase transition in pseudorhombohedral;(Pb0.94Sr0.06)( Zr0.550Ti0.450)O-3: A combined synchrotron x-ray and;neutron powder diffraction study;PHYSICAL REVIEW B;86;17;174117;10.1103/PhysRevB.86.174117;NOV 30 2012;2012;The controversies about the structure of the true ground state of;pseudorhombohedral compositions of Pb(ZrxTi1-x)O-3 (PZT) are addressed;using a 6% Sr2+ substituted sample with x = 0.550. Sound velocity;measurements reveal a phase transition at T-c similar to 279 K. The;temperature dependence of full width at half maximum of (h00)(pc) peaks;and the unit cell volume also show anomalies around 279 K even though;there is no indication of any change of space group in the synchrotron;x-ray powder diffraction (SXRD) patterns. The neutron powder diffraction;patterns reveal appearance of superlattice peaks below T-c similar to;279 K, confirming the existence of an antiferrodistortive phase;transition. The Rietveld analysis of the room-temperature and;low-temperature SXRD data below T-c shows that the structure corresponds;to single monoclinic phase in the Cm space group while the analysis of;neutron powder diffraction data reveals that the structure of the;ground-state phase below T-c corresponds to the Cc space group. Our;analysis shows that the structural models for the ground-state phase;based on the R3c space group with or without the coexistence of the;room-temperature monoclinic phase in the Cm space group can be rejected.;SOLANKI, RAVINDRA /H-7221-2013; Senyshyn, Anatoliy/C-8267-2014;Senyshyn, Anatoliy/0000-0002-1473-8992;3;0;0;0;3;1098-0121;WOS:000311714600001;;;J;Steinke, N. -J.;Moore, T. A.;Mansell, R.;Bland, J. A. C.;Barnes, C. H. W.;Nonuniversal dynamic magnetization reversal in the Barkhausen-dominated;and mesofrequency regimes;PHYSICAL REVIEW B;86;18;184434;10.1103/PhysRevB.86.184434;NOV 30 2012;2012;Dynamic magnetization reversal in the mesofrequency range is studied by;ac magneto-optical Kerr effect (ac-MOKE) and ac anisotropic;magnetoresistance (ac-AMR) magnetometry in a series of epitaxial and;polycrystalline thin magnetic films. The dynamic coercive field was;found to scale as a power law with scaling exponents <= 1/2 depending on;the ferromagnetic material. In addition, there is a low sweep rate;regime in which the dynamic coercivity reaches a minimum. These findings;are explained in the context of reversal proceeding by motion of a few;domain walls (similar to 1). At dc and low field sweep rates the;reversal proceeds between local pinning sites via Barkhausen avalanches;and the overall reversal speed is strongly dependent on the field sweep;rate. At higher field sweep rates a continuous motion regime is entered;in which the reversal velocity depends linearly on the applied field;sweep rate and only an average pinning force is experienced by the wall.;The fit of the dynamic coercivity vs applied field sweep rate allows the;determination of the average nonlocal pinning field. The nonuniversal;scaling exponent can be explained using recently developed models and;introducing a field rate-dependent number of active domain walls.;Mansell, Rhodri/A-1450-2013;2;0;0;0;2;1098-0121;WOS:000311714700003;;;J;Stoffel, M.;Fagot-Revurat, Y.;Tejeda, A.;Kierren, B.;Nicolaou, A.;Le Fevre, P.;Bertran, F.;Taleb-Ibrahimi, A.;Malterre, D.;Electron-phonon coupling on strained Ge/Si(111)-(5x5) surfaces;PHYSICAL REVIEW B;86;19;195438;10.1103/PhysRevB.86.195438;NOV 30 2012;2012;We investigate the structural and electronic properties of strained;Ge/Si(111)-(5 x 5) surfaces by means of scanning tunneling microscopy;and high-resolution angle-resolved photoemission spectroscopy. The;homogeneous (5 x 5) reconstructed overlayers are characterized by three;electronic surface states, similar to the Si(111)-(7 x 7) surface. The;dispersion of the dangling bond related surface state exhibits the same;periodicity as that of the (5 x 5) reconstruction. Moreover, a careful;analysis of the shape and width of this surface state provides striking;evidence of electron-phonon coupling at low temperatures. By considering;the spectral function within a simple Debye model, we determine both the;Debye energy and the electron-phonon coupling strength. The latter value;is further confirmed by analyzing the temperature-dependent phonon;broadening of the dangling bond related surface state linewidth.;BERTRAN, Francois/B-7515-2008; Tejeda, Antonio/C-4711-2014;BERTRAN, Francois/0000-0002-2416-0514; Tejeda,;Antonio/0000-0003-0125-4603;1;0;0;0;1;1098-0121;WOS:000311715000012;;;J;Turek, I.;Kudrnovsky, J.;Carva, K.;Magnetic anisotropy energy of disordered tetragonal Fe-Co systems from;ab initio alloy theory;PHYSICAL REVIEW B;86;17;174430;10.1103/PhysRevB.86.174430;NOV 30 2012;2012;We present results of systematic fully relativistic first-principles;calculations of the uniaxial magnetic anisotropy energy (MAE) of a;disordered and partially ordered tetragonal Fe-Co alloy using the;coherent potential approximation (CPA). This alloy has recently become a;promising system for thin ferromagnetic films with a perpendicular;magnetic anisotropy. We find that existing theoretical approaches to;homogeneous random bulk Fe-Co alloys, based on a simple virtual crystal;approximation (VCA), overestimate the maximum MAE values obtained in the;CPA by a factor of 4. This pronounced difference is ascribed to the;strong disorder in the minority spin channel of real alloys, which is;neglected in the VCA and which leads to a broadening of the d-like;eigenstates at the Fermi energy and to the reduction of the MAE. The;ordered Fe-Co alloys with a maximum L1(0)-like atomic long-range order;can exhibit high values of the MAE, which, however, get dramatically;reduced by small perturbations of the perfect order.;Carva, Karel/A-3703-2008; Turek, Ilja/G-5553-2014; KUDRNOVSKY, Josef/G-5581-2014;KUDRNOVSKY, Josef/0000-0002-9968-6748;10;0;0;0;10;1098-0121;WOS:000311714600004;;;J;Uppstu, Andreas;Harju, Ari;High-field magnetoresistance revealing scattering mechanisms in graphene;PHYSICAL REVIEW B;86;20;201409;10.1103/PhysRevB.86.201409;NOV 30 2012;2012;We show that the type of charge carrier scattering significantly affects;the high-field magnetoresistance of graphene nanoribbons. This effect;has the potential to be used in identifying the scattering mechanisms in;graphene. The results also provide an explanation for the experimentally;found, intriguing differences in the behavior of the magnetoresistance;of graphene Hall bars placed on different substrates. Additionally, our;simulations indicate that the peaks in the longitudinal resistance tend;to become pinned to fractionally quantized values, as different;transport modes have very different scattering properties.;Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;1;0;0;0;1;1098-0121;WOS:000311715100004;;;J;White, Alexander J.;Sukharev, Maxim;Galperin, Michael;Molecular nanoplasmonics: Self-consistent electrodynamics in;current-carrying junctions;PHYSICAL REVIEW B;86;20;205324;10.1103/PhysRevB.86.205324;NOV 30 2012;2012;We consider a biased molecular junction subjected to an external;time-dependent electromagnetic field. We discuss local field formation;due to both surface plasmon-polariton excitations in the contacts and;the molecular response. Employing realistic parameters we demonstrate;that such self-consistent treatment is crucial for the proper;description of the junction transport characteristics.;White, Alexander/D-8754-2014;White, Alexander/0000-0002-7771-3899;3;0;0;0;3;1098-0121;WOS:000311715100010;;;J;Wierschem, Keola;Kato, Yasuyuki;Nishida, Yusuke;Batista, Cristian D.;Sengupta, Pinaki;Magnetic and nematic orderings in spin-1 antiferromagnets with;single-ion anisotropy;PHYSICAL REVIEW B;86;20;201108;10.1103/PhysRevB.86.201108;NOV 30 2012;2012;We study a spin-1 Heisenberg model with exchange interaction J, uniaxial;single-ion exchange anisotropy D, and Zeeman coupling to a magnetic;field B parallel to the symmetry axis. We compute the (D/J, B/J) quantum;phase diagram for square and simple cubic lattices by combining;analytical and quantum Monte Carlo approaches, and find a transition;between XY antiferromagnetic and ferronematic phases that spontaneously;break the U(1) symmetry of the model. In the language of bosonic gases,;this is a transition between a Bose-Einstein condensate (BEC) of single;bosons and a BEC of pairs. Our work opens up new avenues for measuring;this transition in real magnets.;8;0;0;0;8;1098-0121;WOS:000311715100001;;;J;Wu, Chien-Te;Valls, Oriol T.;Halterman, Klaus;Proximity effects in conical-ferromagnet/superconductor bilayers;PHYSICAL REVIEW B;86;18;184517;10.1103/PhysRevB.86.184517;NOV 30 2012;2012;We present a study of various aspects of proximity effects in F/S;(ferromagnet/superconductor) bilayers, where F has a spiral magnetic;texture such as that found in holmium, erbium, and other materials, and;S is a conventional s-wave superconductor. We numerically solve the;Bogoliubov-de Gennes (BdG) equations self-consistently and use the;solutions to compute physical quantities relevant to the proximity;effects in these bilayers. We obtain the relation between the;superconducting transition temperature T-c and the thicknesses d(F) of;the magnetic layer by solving the linearized BdG equations. We find that;the T-c (d(F)) curves include multiple oscillations. Moreover, the;system may be reentrant not only with d(F), as is the case when the;magnet is uniform, but also with temperature T : the superconductivity;disappears in certain ranges of d(F) or T. The T reentrance reported;here occurs when d(F) is larger than the spatial period of the conical;exchange field. We compute the condensation free energies and entropies;from the full BdG equations and find the results are in agreement with;T-c values obtained by linearization. The inhomogeneous nature of the;magnet makes it possible for all odd triplet pairing components to be;induced. We have investigated their properties and found that, as;compared to the singlet amplitude, both the m = 0 and +/- 1 triplet;components exhibit long-range penetration. For nanoscale bilayers, the;proximity lengths for both layers are also obtained. These lengths;oscillate with d(F) and they are found to be long range on both sides.;These results are shown to be consistent with recent experiments. We;also calculate the reverse proximity effect described by the;three-dimensional local magnetization, and the local density of states,;which reveals important energy-resolved signatures associated with the;proximity effects.;6;0;0;0;6;1098-0121;WOS:000311714700005;;;J;Altarelli, M.;Kurta, R. P.;Vartanyants, I. A.;X-ray cross-correlation analysis and local symmetries of disordered;systems: General theory (vol 82, 104207, 2010);PHYSICAL REVIEW B;86;17;179904;10.1103/PhysRevB.86.179904;NOV 29 2012;2012;1;0;0;0;1;1098-0121;WOS:000311693600006;;;J;Beheshtian, J.;Sadeghi, A.;Neek-Amal, M.;Michel, K. H.;Peeters, F. M.;Induced polarization and electronic properties of carbon-doped boron;nitride nanoribbons;PHYSICAL REVIEW B;86;19;195433;10.1103/PhysRevB.86.195433;NOV 29 2012;2012;The electronic properties of boron nitride nanoribbons (BNNRs) doped;with a line of carbon atoms are investigated using density functional;calculations. By replacing a line of alternating B and N atoms with;carbons, three different configurations are possible depending on the;type of the atoms which bond to the carbons. We found very different;electronic properties for these configurations: (i) the NCB arrangement;is strongly polarized with a large dipole moment having an unexpected;direction, (ii) the BCB and NCN arrangements are nonpolar with zero;dipole moment, (iii) the doping by a carbon line reduces the band gap;regardless of the local arrangement of the borons and the nitrogens;around the carbon line, and (iv) the polarization and energy gap of the;carbon-doped BNNRs can be tuned by an electric field applied parallel to;the carbon line. Similar effects were found when either an armchair or;zigzag line of carbon was introduced.;Sadeghi, Ali/D-1554-2013;8;0;0;0;8;1098-0121;WOS:000311694200006;;;J;Chi, Hang;Kim, Hyoungchul;Thomas, John C.;Su, Xianli;Stackhouse, Stephen;Kaviany, Massoud;Van der Ven, Anton;Tang, Xinfeng;Uher, Ctirad;Configuring pnicogen rings in skutterudites for low phonon conductivity;PHYSICAL REVIEW B;86;19;195209;10.1103/PhysRevB.86.195209;NOV 29 2012;2012;Dominant heat-carrying modes in skutterudites are associated with;vibrations of the pnicogen rings. Apart from filling the structural;cages with foreign species, disrupting the pnicogen ring structure by;substitutional alloying should be an effective approach to reduce;thermal conductivity. In this paper we explore alloying configurations;of pnicogen rings (Sb rings in the case of CoSb3) that yield;particularly low values of the thermal conductivity. We find that IV-VI;double substitution (replacing two Sb atoms with one atom each from the;column IV and column VI elements to achieve an average charge of two Sb;atoms) is a very effective approach. Our ab initio calculations, in;combination with a cluster expansion, have allowed us to identify stable;alloy configurations on the Sb rings. Subsequent molecular and lattice;dynamics simulations on low energy configurations establish the range of;atomic displacement parameters and values of the thermal conductivity.;Theoretical results are in good agreement with our experimental thermal;conductivity values. Combining both approaches of compensated double;substitution and filling of structural cages should be an effective way;of improving the thermoelectric figure of merit of skutterudites.;Su, Xianli/A-9685-2012; Chi, Hang/F-1537-2011; Thomas, John/A-2764-2009; Kim, Hyoungchul/F-2557-2014;Chi, Hang/0000-0002-1299-1150; Thomas, John/0000-0002-3162-0152; Kim,;Hyoungchul/0000-0003-3109-660X;8;0;0;0;8;1098-0121;WOS:000311694200003;;;J;Fortmann, C.;Niemann, C.;Glenzer, S. H.;Theory of x-ray scattering in high-pressure electrides;PHYSICAL REVIEW B;86;17;174116;10.1103/PhysRevB.86.174116;NOV 29 2012;2012;We report on a theoretical model for the calculation of x-ray scattering;from high-pressure electrides. By treating interstitial electrons as;effective anions forming a sublattice within the crystal, we explicitly;account for Bragg reflections from the sublattice as well as for;scattering interferences between the ion lattice and the anion;sublattice. The additional reflections and interferences lead to;significant modifications of the static structure factor as compared to;the pure lattices. Our results are important for accurate calculations;of material properties in the high-pressure phase and allow for direct;experimental verification of electride phases in matter at ultrahigh;pressures through angle-resolved x-ray scattering.;2;0;0;0;2;1098-0121;WOS:000311693600001;;;J;Guclu, Caner;Campione, Salvatore;Capolino, Filippo;Hyperbolic metamaterial as super absorber for scattered fields generated;at its surface;PHYSICAL REVIEW B;86;20;205130;10.1103/PhysRevB.86.205130;NOV 29 2012;2012;We show that hyperbolic metamaterials (HMs) that exhibit hyperbolic;wave-vector dispersion diagrams possess two important features related;to super absorption: The total power scattered by a nanosphere is (i);greatly enhanced when placed at the HM surface, compared to other;material surfaces, and (ii) almost totally directed into the HM. We show;that these two features are peculiar of HM interfaces, and we support;them using a spectral theory study of transverse-electric and magnetic;waves scattered by a subwavelength nanosphere. We analyze the;nanosphere's scattered power absorbed by various substrate;configurations. We also consider various nanosphere materials.;22;0;0;0;22;1098-0121;WOS:000311694300002;;;J;Hebbache, M.;Entanglement of electron spins and geometric phases in the diamond color;center coupled to the P1 center;PHYSICAL REVIEW B;86;19;195316;10.1103/PhysRevB.86.195316;NOV 29 2012;2012;Impurity spins in semiconductors are potential quantum bits.;Entanglement and topological phases are key resources in quantum;computation. We prove that the coupled electron spins carried by a;diamond nitrogen-vacancy color center (NV-) and a single substitutional;nitrogen impurity (P1 center) are entangled in the immediate vicinity of;the level anticrossing that appears in the Zeeman energy diagram at;about 500 G. We also determine the Aharonov-Anandan, Berry, and marginal;geometric phases that can be accumulated by the state vectors of this;spin system when it is magnetically transported around a closed path. At;the resonance where the gap between two energy levels is minimum, the;geometric phases undergo discontinuities, and the entanglement of the;two electron spins is maximal.;2;0;0;0;2;1098-0121;WOS:000311694200004;;;J;Kerdsongpanya, Sit;Alling, Bjorn;Eklund, Per;Effect of point defects on the electronic density of states of ScN;studied by first-principles calculations and implications for;thermoelectric properties;PHYSICAL REVIEW B;86;19;195140;10.1103/PhysRevB.86.195140;NOV 29 2012;2012;We have investigated the effect of defects and impurities on the;electronic density of states of scandium nitride using first-principles;calculations with the generalized gradient approximation and hybrid;functionals for the exchange correlation energy. Our results show that;Sc and N vacancies can introduce asymmetric peaks in the density of;states close to the Fermi level. We also find that the N vacancy states;are sensitive to total electron concentration of the system due to their;possibility for spin polarization. Substitutional point defects shift;the Fermi level in the electronic band according to their valence but do;not introduce sharp features. The energetics and electronic structure of;defect pairs are also studied. By using hybrid functional calculations,;a correct description of the band gap of scandium nitride is obtained.;Our results envisage ways for improving the thermoelectric figure of;merit of ScN by electronic structure engineering through stoichiometry;tuning and doping.;Eklund, Per/B-7677-2011; Alling, Bjorn/I-3193-2012;Eklund, Per/0000-0003-1785-0864; Alling, Bjorn/0000-0001-5863-5605;8;0;0;0;8;1098-0121;WOS:000311694200001;;;J;Kim, Jiseok;Fischetti, Massimo V.;Aboud, Shela;Structural, electronic, and transport properties of silicane nanoribbons;PHYSICAL REVIEW B;86;20;205323;10.1103/PhysRevB.86.205323;NOV 29 2012;2012;Silicane ribbons do not suffer from aromatic dependence of the band gap;making them a more promising candidate for near-term nanoelectronic;application compared to armchair graphene nanoribbons. The structural,;electronic, and transport properties of free-standing sp(3)-hybridized;armchair- and zigzag-edge silicane nanoribbons have been investigated;using ab initio and nonlocal empirical pseudopotential calculations.;Under ambient conditions, two-dimensional silicane sheets will;spontaneously break into stable one-dimensional ribbons similar to;density functional theory studies of graphene ribbons. The calculated;low-field electron mobility and ballistic conductance show a strong edge;dependence, due to differences in the effective mass and momentum;relaxation rates along the two transport directions. The mobility in;zigzag-edge ribbons is found to be approximately twenty times higher;than in armchair-edge ribbons.;7;0;0;0;7;1098-0121;WOS:000311694300004;;;J;Kim, Kyou-Hyun;Payne, David A.;Zuo, Jian-Min;Symmetry of piezoelectric (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (x=0.31);single crystal at different length scales in the morphotropic phase;boundary region;PHYSICAL REVIEW B;86;18;184113;10.1103/PhysRevB.86.184113;NOV 29 2012;2012;We use probes of three different length scales to examine symmetry of (1;- x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) single crystals in the;morphotropic phase boundary (MPB) region at composition x = 0.31;(PMN-31% PT). On the macroscopic scale, x-ray diffraction (XRD) shows a;mixture of strong and weak diffraction peaks of different widths. The;closest match to XRD peak data is made with monoclinic Pm (M-C);symmetry. On the local scale of a few nanometers, convergent beam;electron diffraction (CBED) studies, with a 1.6-nm electron probe,;reveal no obvious symmetry. These CBED experimental patterns can be;approximately matched with simulations based on monoclinic symmetry,;which suggests locally distorted monoclinic structure. A monoclinic Cm;(M-A or M-B)-like symmetry could also be obtained from certain regions;of the crystal by using a larger electron probe size of several tens of;nanometers in diameter. Thus the monoclinic symmetry of single crystal;PMN-31% PT is developed only in parts of the crystal by averaging over;locally distorted structure on the scale of few tens of nanometers. The;macroscopic symmetry observed by XRD is a result of averaging from the;local structure in PMN-31% PT single crystal. The lack of local symmetry;at a few nanometers scale suggests that the polarization switching;results from a change in local displacements, which are not restricted;to specific symmetry planes or directions.;2;0;0;0;2;1098-0121;WOS:000311693900002;;;J;Kossacki, P.;Faugeras, C.;Kuehne, M.;Orlita, M.;Mahmood, A.;Dujardin, E.;Nair, R. R.;Geim, A. K.;Potemski, M.;Circular dichroism of magnetophonon resonance in doped graphene;PHYSICAL REVIEW B;86;20;205431;10.1103/PhysRevB.86.205431;NOV 29 2012;2012;The polarization-resolved Raman-scattering response due to E-2g phonons;in monolayer graphene has been investigated in magnetic fields up to 29;T. The hybridization of the E-2g phonon is only observed with the;fundamental inter-Landau-level excitation (involving the n = 0 Landau;level) and in just one of the two configurations of the circularly;cross-polarized excitation and scattered light. This polarization;anisotropy of the magnetophonon resonance is shown to be inherent to;relatively strongly doped graphene samples with carrier concentrations;typical for graphene deposited on Si/SiO2 substrates.;Dujardin, Erik/A-2748-2010; Raveendran Nair, Rahul/G-5839-2010; Orlita, Milan/H-1130-2014;Dujardin, Erik/0000-0001-7242-9250;;3;0;0;0;3;1098-0121;WOS:000311694300005;;;J;Kostylev, M.;Stashkevich, A. A.;Roussigne, Y.;Grigoryeva, N. A.;Mistonov, A. A.;Menzel, D.;Sapoletova, N. A.;Napolskii, K. S.;Eliseev, A. A.;Lukashin, A. V.;Grigoriev, S. V.;Samarin, S. N.;Microwave properties of Ni-based ferromagnetic inverse opals;PHYSICAL REVIEW B;86;18;184431;10.1103/PhysRevB.86.184431;NOV 29 2012;2012;Investigations of microwave properties of Ni-based inverse ferromagnetic;opal-like film with the [111] axis of the fcc structure along the normal;direction to the film have been carried out in the 2-18 GHz frequency;band. We observed multiple spin wave resonances for the magnetic field;applied perpendicular to the film, i.e., along the [111] axis of this;artificial crystal. For the field applied in the film plane, a broad;band of microwave absorption is observed, which does not contain a fine;structure. The field ranges of the responses observed are quite;different for these two magnetization directions. This suggests a;collective magnetic ground state or shape anisotropy and collective;microwave dynamics for this foam-like material. This result is in;agreement with SQUID measurements of hysteresis loops for the material.;Two different models for this collective behavior are suggested that;satisfactorily explain the major experimental results.;Lukashin, Alexey/F-6746-2013; Mistonov, Alexander/H-2098-2013; Grigoryeva, Natalia/K-2253-2013; Kostylev, Mikhail/H-5214-2014;Mistonov, Alexander/0000-0003-0138-3579; Grigoryeva,;Natalia/0000-0002-9910-6192;;1;0;0;0;1;1098-0121;WOS:000311693900004;;;J;Kvashnin, Y. O.;Khmelevskyi, S.;Kudrnovsky, J.;Yaresko, A. N.;Genovese, L.;Bruno, P.;Noncollinear magnetic ordering in compressed FePd3 ordered alloy: A;first principles study;PHYSICAL REVIEW B;86;17;174429;10.1103/PhysRevB.86.174429;NOV 29 2012;2012;By means of ab initio calculations based on the density functional;theory we investigated the magnetic phase diagram of ordered FePd3 alloy;as a function of external pressure. Considering several magnetic;configurations we concluded that the system under pressure has a;tendency toward noncollinear spin alignment. Analysis of the Heisenberg;exchange parameters J(ij) revealed strong dependence of iron-iron;magnetic couplings on polarization of Pd atoms. To take into account;that effect we built an extended Heisenberg model with higher order;(biquadratic) terms. Minimizing the energy of this Hamiltonian, fully;parametrized using the results of ab initio calculations, we found a;candidate for a ground state of compressed FePd3, which can be seen as;two interpenetrating "triple-Q" phases.;Genovese, Luigi/C-5937-2011; Bruno, Patrick/C-9159-2009; KUDRNOVSKY, Josef/G-5581-2014;Genovese, Luigi/0000-0003-1747-0247; Bruno, Patrick/0000-0002-2574-1943;;KUDRNOVSKY, Josef/0000-0002-9968-6748;1;0;0;0;1;1098-0121;WOS:000311693600004;;;J;Li, Wu;Lindsay, L.;Broido, D. A.;Stewart, Derek A.;Mingo, Natalio;Thermal conductivity of bulk and nanowire Mg2SixSn1-x alloys from first;principles;PHYSICAL REVIEW B;86;17;174307;10.1103/PhysRevB.86.174307;NOV 29 2012;2012;The lattice thermal conductivity (kappa) of the thermoelectric;materials, Mg2Si, Mg2Sn, and their alloys, are calculated for bulk and;nanowires, without adjustable parameters. We find good agreement with;bulk experimental results. For large nanowire diameters, size effects;are stronger for the alloy than for the pure compounds. For example, in;200 nm diameter nanowires kappa is lower than its bulk value by 30%,;20%, and 20% for Mg2Si0.6Sn0.4, Mg2Si, and Mg2Sn, respectively. For;nanowires less than 20 nm thick, the relative decrease surpasses 50%,;and it becomes larger in the pure compounds than in the alloy. At room;temperature, kappa of Mg2SixSn1-x is less sensitive to nanostructuring;size effects than SixGe1-x, but more sensitive than PbTexSe1-x. This;suggests that further improvement of Mg2SixSn1-x as a nontoxic;thermoelectric may be possible.;Lindsay, Lucas/C-9221-2012; Stewart, Derek/B-6115-2008;25;1;0;0;25;1098-0121;WOS:000311693600002;;;J;Niklasson, Anders M. N.;Cawkwell, Marc J.;Fast method for quantum mechanical molecular dynamics;PHYSICAL REVIEW B;86;17;174308;10.1103/PhysRevB.86.174308;NOV 29 2012;2012;As the processing power available for scientific computing grows,;first-principles Born-Oppenheimer molecular dynamics simulations are;becoming increasingly popular for the study of a wide range of problems;in materials science, chemistry, and biology. Nevertheless, the;computational cost of Born-Oppenheimer molecular dynamics still remains;prohibitively large for many potential applications. Here we show how to;avoid a major computational bottleneck: the self-consistent-field;optimization prior to force calculations. The optimization-free quantum;mechanical molecular dynamics method gives trajectories that are almost;indistinguishable from an "exact" microcanonical Born-Oppenheimer;molecular dynamics simulation even when low-prefactor linear scaling;sparse matrix algebra is used. Our findings show that the computational;gap between classical and quantum mechanical molecular dynamics;simulations can be significantly reduced.;4;0;0;0;4;1098-0121;WOS:000311693600003;;;J;Ong, Zhun-Yong;Fischetti, Massimo V.;Theory of interfacial plasmon-phonon scattering in supported graphene;(vol 86, 165422, 2012);PHYSICAL REVIEW B;86;19;199904;10.1103/PhysRevB.86.199904;NOV 29 2012;2012;Ong, Zhun-Yong/B-9486-2013;Ong, Zhun-Yong/0000-0003-2668-6453;6;0;0;0;6;1098-0121;WOS:000311694200007;;;J;Per, Manolo C.;Snook, Ian K.;Russo, Salvy P.;Efficient calculation of unbiased expectation values in diffusion;quantum Monte Carlo;PHYSICAL REVIEW B;86;20;201107;10.1103/PhysRevB.86.201107;NOV 29 2012;2012;Despite the proven utility of quantum Monte Carlo methods in addressing;the quantum many-body problem, many important observables are difficult;to calculate due to the presence of large, and sometimes divergent,;statistical errors. The present state of the art allows the construction;of renormalized estimators which result in finite variances, but which;invariably include some systematic bias. We present a simple method for;calculating unbiased expectation values of local operators in the;diffusion quantum Monte Carlo method which is applicable to both bare;and renormalized estimators, allowing the accurate calculation of;important properties such as forces.;snook, ian/A-3427-2009; Per, Manolo/C-3680-2011;1;0;0;0;1;1098-0121;WOS:000311694300001;;;J;Simonson, J. W.;Smith, G. J.;Post, K.;Pezzoli, M.;Kistner-Morris, J. J.;McNally, D. E.;Hassinger, J. E.;Nelson, C. S.;Kotliar, G.;Basov, D. N.;Aronson, M. C.;Magnetic and structural phase diagram of CaMn2Sb2;PHYSICAL REVIEW B;86;18;184430;10.1103/PhysRevB.86.184430;NOV 29 2012;2012;On the basis of magnetic, transport, and optical measurements performed;on single crystals, we report CaMn2Sb2 to be an antiferromagnetic;insulator that exhibits weak ferromagnetic order above the Neel;temperature. Magnetic susceptibility measurements reveal the magnitude;of the high-temperature Curie-Weiss moment to be only half as large as;the ground-state ordered moment, while electronic-structure calculations;based on crystallographic measurements suggest a crystal-field-induced;spin-state transition does not occur. The antiferromagnetic state is;relatively insensitive to both doping and modest pressures, while the;ferromagnetism can be readily tuned by either. Infrared transmission and;pressure-dependent resistivity measurements suggest proximity to an;electronic delocalization transition. We suggest the ferromagnetic state;may be the signature of magnetic polarons.;1;1;0;0;1;1098-0121;WOS:000311693900003;;;J;Stishov, Sergei M.;Petrova, Alla E.;Sidorov, Vladimir A.;Menzel, Dirk;Self-doping effects in cobalt silicide CoSi: Electrical, magnetic,;elastic, and thermodynamic properties (vol 86, 064433, 2012);PHYSICAL REVIEW B;86;17;179903;10.1103/PhysRevB.86.179903;NOV 29 2012;2012;0;0;0;0;0;1098-0121;WOS:000311693600005;;;J;Thede, M.;Xiao, F.;Baines, Ch.;Landee, C.;Morenzoni, E.;Zheludev, A.;Ordering in weakly coupled random singlet spin chains;PHYSICAL REVIEW B;86;18;180407;10.1103/PhysRevB.86.180407;NOV 29 2012;2012;The influence of bond randomness on long-range magnetic ordering in the;weakly coupled S = 1/2 antiferromagnetic spin chain materials;Cu(py)(2)(Cl1-xBrx)(2) is studied by muon spin rotation and bulk;measurements. Disorder is found to have a strong effect on the ordering;temperature T-N, and an even stronger one on the saturation;magnetization m(0), but considerably more so in the effectively;lower-dimensional Br-rich materials. The observed behavior is attributed;to random singlet ground states of individual spin chains, but remains;in contradiction with chain mean-field theory [Joshi and Yang, Phys.;Rev. B 67, 174403 (2003)] predictions. In this context, we discuss the;possibility of a universal distribution of ordered moments in the weakly;coupled random singlet chains model.;Thede, Matthias/L-2975-2013;4;0;0;0;4;1098-0121;WOS:000311693900001;;;J;Usov, V.;Stoyanov, S.;Coileain, C. O.;Toktarbaiuly, O.;Shvets, I. V.;Antiband instability on vicinal Si(111) under the condition of;diffusion-limited sublimation;PHYSICAL REVIEW B;86;19;195317;10.1103/PhysRevB.86.195317;NOV 29 2012;2012;In this paper, we investigate the antiband instability on vicinal;Si(111) surfaces with different angles of misorientation. It is known;that prolonged direct current-annealing of Si(111) results in the;formation of antibands; i.e., the step bunches with the opposite slope;to the primary bunches. We provide a theoretical description of antiband;formation via the evolution of the atomic steps' shape. We also derive a;criterion for the onset of the antiband instability under the conditions;of sublimation controlled by slow adatom surface diffusion. We examine;this criterion experimentally by studying the initial stage of the;antiband formation at a constant temperature of 1270 degrees C while;systematically varying the applied electromigration field. The;experiment strongly supports the validity of the derived theoretical;criterion and indicates the importance of accounting for the factor of;critical field in the theoretical modeling of step bunching or antiband;instabilities. Deduced from the comparison of theory and experiment, the;Si surface atoms' effective charge cannot exceed double the elementary;charge, set by the lower limit of kinetic characteristic length d(s) =;0.3 nm. Using d(s) = 1.7 - 4.5 nm draws values of the effective charge;in line with the values reported in earlier studies.;Shvets, Igor/J-8710-2013;0;0;0;0;0;1098-0121;WOS:000311694200005;;;J;Weber, Cedric;Mila, Frederic;Anticollinear magnetic order induced by impurities in the frustrated;Heisenberg model of pnictides;PHYSICAL REVIEW B;86;18;184432;10.1103/PhysRevB.86.184432;NOV 29 2012;2012;We present Monte Carlo simulations for a classical antiferromagnetic;Heisenberg model with both nearest (J(1)) and next-nearest (J(2));exchange couplings on the square lattice in the presence of nonmagnetic;impurities. We show that the order-by-disorder entropy selection,;associated with the Ising-like phase transition that appears for;J(2)/J(1) > 1/2 in the pure spin model, is quenched at low temperature;due to the presence of nonmagnetic impurities. Evidence that a new;competing order is stabilized around the impurities and in turn induces;a reentrance phase transition is reported. Implications for local;magnetic measurement of the parent compound of iron pnictides are;briefly discussed.;Weber, Cedric/D-5027-2014;Weber, Cedric/0000-0002-6989-2700;4;0;0;0;4;1098-0121;WOS:000311693900005;;;J;Weston, L.;Cui, X. Y.;Delley, B.;Stampfl, C.;Band offsets and polarization effects in wurtzite ZnO/Mg0.25Zn0.75O;superlattices from first principles;PHYSICAL REVIEW B;86;20;205322;10.1103/PhysRevB.86.205322;NOV 29 2012;2012;Using first-principles calculations, we investigate the band offsets,;built-in electric fields, and band gaps of (0001)-oriented wurtzite;ZnO/Mg0.25Zn0.75O superlattices, including the dependence on;superlattice geometry and strain. Significant built-in electric fields;form inside the quantum-well region that are found to be tunable over;the range 0.24 MV/cm <= E-w <= 0.63 MV/cm, and potentially up to 1MV/cm;by varying the relative width of the well and barrier regions. The;valence band offset at the ZnO/Mg0.25Zn0.75O interface is calculated to;be 0.25-0.26 eV which, in contrast to the "common anion rule," is a;significant portion of the total band offset, and this is in support of;recent experiment. Calculated values for the valence band offset were;found to be insensitive to variations in superlattice geometry and;strain. The band gap of the superlattice is determined by the competing;effects of quantum confinement and the quantum-confined Stark effect,;with the former being more dominant for the systems investigated. These;findings will be useful in the design and optimization of ZnO/MgxZn1-xO;superlattices for electronics and optoelectronics applications.;Delley, Bernard/E-1336-2014;Delley, Bernard/0000-0002-7020-2869;3;0;1;0;4;1098-0121;WOS:000311694300003;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;PHYSICAL REVIEW B;86;19;195141;10.1103/PhysRevB.86.195141;NOV 29 2012;2012;We perform realistic first-principles calculations of iron chalcogenides;and ruthenate-based materials to identify experimental signatures of;Hund's-coupling-induced correlations in these systems. We find that FeTe;and KxFe2-yAs2 display unusual orbital-dependent fractional power-law;behavior in their quasiparticle self-energy and optical conductivity, a;phenomenon first identified in SrRuO3. Strong incoherence in the;paramagnetic state of these materials results in electronic states;hidden to angle-resolved photoemission spectroscopy which reemerge at;low temperatures. We identify the effective low-energy Hamiltonian;describing these systems and show that these anomalies are not;controlled by the proximity to a quantum critical point but result from;coexistence of fast quantum mechanical orbital fluctuations and slow;spin fluctuations.;Yin, Zhiping/G-3949-2012;Yin, Zhiping/0000-0001-8679-5251;10;0;0;0;10;1098-0121;WOS:000311694200002;;;J;Kumar, A.;Fennie, C. J.;Rabe, K. M.;Spin-lattice coupling and phonon dispersion of CdCr2O4 from first;principles;PHYSICAL REVIEW B;86;18;184429;10.1103/PhysRevB.86.184429;NOV 28 2012;2012;First-principles calculations are used to investigate the effects of;magnetic ordering on the minimum-energy structure and on the full phonon;dispersion relation of CdCr2O4, focusing on the changes through the;coupled magnetic/structural transition which shows relief of the;geometric frustration of the antiferromagnetic ordering on the;pyrochlore lattice. We computed the full phonon dispersion relations for;the ferromagnetic and antiferromagnetic orderings in cubic and;tetragonal structures of CdCr2O4. We extracted the phonon dispersion for;the cubic paramagnetic phase and found that it compares wellwith the;experimental results. The AFM ordering is seen to lower the symmetry and;induce a lattice distortion comparable in magnitude to that observed in;the transition. While the spin-phonon couplings are large for modes;which involve displacement of the Cr atoms, there are no unstable modes;at any point in the Brillouin zone for either of the magnetic orderings;considered, and thus we conclude that the phase transition is driven not;by spin-phonon coupling, but by the atomic forces and stresses induced;by the magnetic order. Finally, by comparison of the phonon frequencies;for structures with different magnetic orderings and structural;distortions, we find that the spin-phonon coupling, rather than the;coupling of the phonons to the structural change, is the dominant factor;in the observed changes of phonon frequencies through the phase;transition.;Kumar, Anil/A-9834-2013;Kumar, Anil/0000-0002-4901-8987;1;0;0;0;1;1098-0121;WOS:000311604700002;;;J;Lin, Shi-Zeng;Bulaevskii, Lev N.;Batista, Cristian D.;Vortex dynamics in ferromagnetic superconductors: Vortex clusters,;domain walls, and enhanced viscosity;PHYSICAL REVIEW B;86;18;180506;10.1103/PhysRevB.86.180506;NOV 28 2012;2012;We demonstrate that there is a long-range vortex-vortex attraction in;ferromagnetic superconductors due to polarization of the magnetic;moments. Vortex clusters are then stabilized in the ground state for low;vortex densities. The motion of vortex clusters driven by the Lorentz;force excites magnons. This regime becomes unstable at a threshold;velocity above which domain walls are generated for slow relaxation of;the magnetic moments and the vortex configuration becomes modulated.;This dynamics of vortices and magnetic moments can be probed by;transport measurements.;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;6;0;0;0;6;1098-0121;WOS:000311604700001;;;J;Wong, Chris L. M.;Law, K. T.;Majorana Kramers doublets in dx2-y2-wave superconductors with Rashba;spin-orbit coupling;PHYSICAL REVIEW B;86;18;184516;10.1103/PhysRevB.86.184516;NOV 28 2012;2012;In this work, we show that a quasi-one-dimensional d(x2-y2)-wave;superconductor with Rashba spin-orbit coupling is a DIII class,;time-reversal invariant, topological superconductor (TS), which supports;a Majorana Kramers Doublet (MKD) at each end of the TS. A MKD is a pair;of Majorana end states (MESs) protected by time-reversal symmetry (TRS).;An external magnetic field breaks TRS and drives the system from DIII to;D class in which case a single MES appears at each end of the TS. We;show that a MKD induces resonant Andreev reflection with zero-bias;conductance peak of 4e(2)/h. Experimental realizations of the proposed;model are discussed.;Law, Kam/H-1410-2011;19;1;0;0;19;1098-0121;WOS:000311604700003;;;J;De Luca, M.;Pettinari, G.;Ciatto, G.;Amidani, L.;Filippone, F.;Polimeni, A.;Fonda, E.;Boscherini, F.;Bonapasta, A. Amore;Giubertoni, D.;Knuebel, A.;Lebedev, V.;Capizzi, M.;Identification of four-hydrogen complexes in In-rich InxGa1-xN (x > 0.4);alloys using photoluminescence, x-ray absorption, and density functional;theory;PHYSICAL REVIEW B;86;20;201202;10.1103/PhysRevB.86.201202;NOV 28 2012;2012;Postgrowth hydrogen incorporation in In-rich InxGa1-xN (x > 0.4) alloys;strongly modifies the optical and structural properties of the material:;A large blueshift of the emission and absorption energies is accompanied;by a remarkable broadening of the interatomic-distance distribution, as;probed by synchrotron radiation techniques. Both effects vanish at a;finite In-concentration value (x similar to 0.5). Synergic x-ray;absorption measurements and first-principle calculations unveil two;different defective species forming upon hydrogenation: one due to the;high chemical reactivity of H, the other ascribed to mere lattice;damage. In the former species, four H atoms bind to as many N atoms, all;nearest-neighbors of a same In atom. The stability of this peculiar;complex, which is predicted to behave as a donor, stems from atomic;displacements cooperating to reduce local strain.;Fonda, Emiliano/D-9666-2011; Filippone, Francesco/I-4718-2012; Pettinari, Giorgio/M-8678-2014;Filippone, Francesco/0000-0001-5862-1115; Pettinari,;Giorgio/0000-0003-0187-3770;1;0;0;0;1;1098-0121;WOS:000311605000001;;;J;Grytsyuk, Sergiy;Peskov, Maxim V.;Schwingenschloegl, Udo;First-principles modeling of interfaces between solids with large;lattice mismatch: The prototypical CoO(111)/Ni(111) interface;PHYSICAL REVIEW B;86;17;174115;10.1103/PhysRevB.86.174115;NOV 28 2012;2012;In this work we investigate the CoO(111)/Ni(111) interface by;first-principles calculations, focusing on its structure and stability.;To satisfy the approximate 5:6 ratio of the CoO and Ni lattice;constants, we construct a supercell with 5 x 5 Co (O) and 6 x 6 Ni atoms;per layer in the bulk regions. For the interface Ni layer and the;adjacent Ni layer we consider different configurations and study the;binding energy. We show for an ideal CoO interface terminated by 5 x 5 O;atoms that the structure is more stable if there are 5 x 5 Ni atoms next;to it instead of 6 x 6 as in the bulk. In addition, we observe that a;transition layer with 31 or 33 Ni atoms located between the interface 5;x 5 Ni and bulk 6 x 6 Ni layers (which partially reflects the structures;of both these layers) enhances the stability of the CoO/Ni interface.;The electronic and magnetic modifications induced by the interface;formation are discussed.;3;0;0;0;3;1098-0121;WOS:000311604400001;;;J;Luekermann, D.;Sologub, S.;Pfnuer, H.;Klein, C.;Horn-von Hoegen, M.;Tegenkamp, C.;Scattering at magnetic and nonmagnetic impurities on surfaces with;strong spin-orbit coupling;PHYSICAL REVIEW B;86;19;195432;10.1103/PhysRevB.86.195432;NOV 28 2012;2012;Adsorption-induced reduction of surface-state conductivity in epitaxial;Bi(111) films, a prototype system with large Rashba-induced;surface-state splitting, by adsorbed atoms of Bi, Fe, and Co has been;investigated by macroscopic surface magnetotransport measurements at a;temperature of 10 K. A detailed analysis of magnetotransport, dc;transport, and Hall data reveals that the scattering efficiencies for Co;and Fe are larger by a factor of 2 than that for Bi. While for the;latter charge transfer and change of band filling near the Fermi level;are negligible, we find an increase of hole concentration upon Co and Fe;adsorption. These atoms act as acceptors and immobilize on average about;0.5 electrons per adsorbed atom. Besides the dominant classical;magnetoconductance signal the films show signatures of weak;antilocalization, reflecting the strong spin-orbit coupling in Bi(111);surface states. This behavior can be changed to weak localization by the;adsorption of high concentrations (0.1 monolayers) of magnetic;impurities (Fe, Co), similarly to results found on the topological;insulator Bi2Se3. Our results demonstrate that details of chemical bond;formation for impurities are crucial for local spin moments and;electronic scattering properties.;5;0;0;0;5;1098-0121;WOS:000311604900001;;;J;Molina-Sanchez, A.;Garcia-Cristobal, A.;Bester, G.;Semiempirical pseudopotential approach for nitride-based nanostructures;and ab initio based passivation of free surfaces;PHYSICAL REVIEW B;86;20;205430;10.1103/PhysRevB.86.205430;NOV 28 2012;2012;We present a semiempirical pseudopotential method based on screened;atomic pseudopotentials and derived from ab initio calculations. This;approach is motivated by the demand for pseudopotentials able to address;nanostructures, where ab initio methods are both too costly and;insufficiently accurate at the level of the local density approximation,;while mesoscopic effective-mass approaches are inapplicable due to the;small size of the structures along, at least, one dimension. In this;work, we improve the traditional pseudopotential method by a two-step;process: First, we invert a set of self-consistently determined screened;ab initio potentials in wurtzite GaN for a range of unit-cell volumes,;thus determining spherically symmetric and structurally averaged atomic;potentials. Second, we adjust the potentials to reproduce observed;excitation energies. We find that the adjustment represents a reasonably;small perturbation over the potential, so that the ensuing potential;still reproduces the original wave functions, while the excitation;energies are significantly improved. We furthermore deal with the;passivation of the dangling bonds of free surfaces which is relevant for;the study of nanowires and colloidal nanoparticles. We present a;methodology to derive passivant pseudopotentials from ab initio;calculations. We apply our pseudopotential approach to the exploration;of the confinement effects on the electronic structure of GaN nanowires.;Bester, Gabriel/I-4414-2012;Bester, Gabriel/0000-0003-2304-0817;1;0;0;0;1;1098-0121;WOS:000311605000005;;;J;Patel, Aavishkar A.;Dutta, Amit;Sudden quenching in the Kitaev honeycomb model: Study of defect and heat;generation;PHYSICAL REVIEW B;86;17;174306;10.1103/PhysRevB.86.174306;NOV 28 2012;2012;We study the behavior of the defect and heat densities under sudden;quenching near the quantum critical points in the two-dimensional Kitaev;honeycomb model both in the thermodynamic and nonthermodynamic limits.;We consider quenches starting from a quantum critical point into the;gapped as well as the gapless phases. We choose points on the lines of;anisotropic quantum critical points as well as different points of;intersection of these lines as the initial points from where the;quenching starts. We find that the defect and heat densities display the;expected power-law scalings along with logarithmic corrections to;scaling (or cusp singularities) in certain cases. In the vicinity of;some of the intersection points, the scaling behaviors change,;indicating an effective dimensional reduction; the scaling behavior near;these points depends on the number of critical lines crossed in the;process of quenching. All the analytical predictions are also verified;by numerical integration.;1;0;0;0;1;1098-0121;WOS:000311604400002;;;J;Raith, Martin;Stano, Peter;Fabian, Jaroslav;Theory of spin relaxation in two-electron laterally coupled Si/SiGe;quantum dots;PHYSICAL REVIEW B;86;20;205321;10.1103/PhysRevB.86.205321;NOV 28 2012;2012;Highly accurate numerical results of phonon-induced two-electron spin;relaxation in silicon double quantum dots are presented. The relaxation,;enabled by spin-orbit coupling and the nuclei of Si-29 (natural or;purified abundance), is investigated for experimentally relevant;parameters, the interdot coupling, the magnetic field magnitude and;orientation, and the detuning. We calculate relaxation rates for zero;and finite temperatures (100 mK), concluding that our findings for zero;temperature remain qualitatively valid also for 100 mK. We confirm the;same anisotropic switch of the axis of prolonged spin lifetime with;varying detuning as recently predicted in GaAs. Conditions for possibly;hyperfine-dominated relaxation are much more stringent in Si than in;GaAs. For experimentally relevant regimes, the spin-orbit coupling,;although weak, is the dominant contribution, yielding anisotropic;relaxation rates of at least two orders of magnitude lower than in GaAs.;Raith, Martin/A-3357-2011; Stano, Peter/C-3016-2013; Fabian, Jaroslav/K-1700-2013;Fabian, Jaroslav/0000-0002-3009-4525;6;0;0;0;6;1098-0121;WOS:000311605000004;;;J;Romhanyi, Judit;Penc, Karlo;
7:5:8:27 Theory of magneto-optical effects in helical multiferroic materials via toroidal magnon excitation (vol 89, 195145, 2014)
DOI:10.1103/PhysRevB.89.239906 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Miyahara, S.;Furukawa, N.;
7:5:9:1 Long-range magnetic interactions in the multiferroic antiferromagnet MnWO4
DOI:10.1103/PhysRevB.83.140401 JN:PHYSICAL REVIEW B PY:2011 TC:22 AU: Ye, Feng;Fishman, Randy S.;Fernandez-Baca, Jaime A.;Podlesnyak, Andrey A.;Ehlers, Georg;Mook, Herbert A.;Wang, Yaqi;Lorenz, Bernd;Chu, C. W.;
7:5:9:2 Electric-field control of the chiral magnetism of multiferroic MnWO4 as seen via polarized neutron diffraction
DOI:10.1103/PhysRevB.81.054430 JN:PHYSICAL REVIEW B PY:2010 TC:21 AU: Finger, T.;Senff, D.;Schmalzl, K.;Schmidt, W.;Regnault, L. P.;Becker, P.;Bohaty, L.;Braden, M.;
7:5:9:3 Magnetic order and spin-flop transitions in the cobalt-doped multiferroic Mn1-xCoxWO4
DOI:10.1103/PhysRevB.86.094429 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Ye, Feng;Chi, Songxue;Fernandez-Baca, Jaime A.;Cao, Huibo;Liang, K. -C.;Wang, Yaqi;Lorenz, Bernd;Chu, C. W.;
7:5:9:4 Robust ferroelectric state in multiferroic Mn1-xZnxWO4
DOI:10.1103/PhysRevB.83.014401 JN:PHYSICAL REVIEW B PY:2011 TC:21 AU: Chaudhury, R. P.;Ye, F.;Fernandez-Baca, J. A.;Lorenz, B.;Wang, Y. Q.;Sun, Y. Y.;Mook, H. A.;Chu, C. W.;
7:5:9:5 Magnetic and multiferroic phases of single-crystalline Mn0.85Co0.15WO4
DOI:10.1103/PhysRevB.82.184422 JN:PHYSICAL REVIEW B PY:2010 TC:18 AU: Chaudhury, R. P.;Ye, F.;Fernandez-Baca, J. A.;Wang, Y. -Q.;Sun, Y. Y.;Lorenz, B.;Mook, H. A.;Chu, C. W.;
7:5:9:6 Landau theory of the magnetic phase diagram of monoclinic multiferroics: Application to MnWO4 and CuO
DOI:10.1103/PhysRevB.87.174428 JN:PHYSICAL REVIEW B PY:2013 TC:7 AU: Quirion, G.;Plumer, M. L.;
7:5:9:7 Conical antiferromagnetic order in the ferroelectric phase of Mn0.8Co0.2WO4 resulting from the competition between collinear and cycloidal structures
DOI:10.1103/PhysRevB.85.224419 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Urcelay-Olabarria, I.;Ressouche, E.;Mukhin, A. A.;Ivanov, V. Yu.;Balbashov, A. M.;Garcia-Munoz, J. L.;Skumryev, V.;
7:5:9:8 Landau theory for the phase diagram of multiferroic Mn1-x(Fe,Zn,Mg)(x)WO4
DOI:10.1103/PhysRevB.85.174408 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Matityahu, Shlomi;Aharony, Amnon;Entin-Wohlman, Ora;
7:5:9:9 Stabilized helical spin order and multiferroic phase coexistence in MnWO4: Consequence of 4d Ru substitution of Mn
DOI:10.1103/PhysRevB.87.104404 JN:PHYSICAL REVIEW B PY:2013 TC:5 AU: Yu, H. W.;Liu, M. F.;Li, X.;Li, L.;Lin, L.;Yan, Z. B.;Liu, J. -M.;
7:5:9:10 Chemical doping-induced flop of ferroelectric polarization in multiferroic Mn0.9Co0.1WO4
DOI:10.1103/PhysRevB.82.214418 JN:PHYSICAL REVIEW B PY:2010 TC:15 AU: Song, Y. -S.;Yan, Li Qin;Lee, Bumsung;Chun, Sae Hwan;Kim, Kee Hoon;Kim, Sung Baek;Nogami, A.;Katsufuji, T.;Schefer, J.;Chung, J. -H.;
7:5:9:11 Local symmetry and magnetic anisotropy in multiferroic MnWO4 and antiferromagnetic CoWO4 studied by soft x-ray absorption spectroscopy
DOI:10.1103/PhysRevB.82.184429 JN:PHYSICAL REVIEW B PY:2010 TC:15 AU: Hollmann, N.;Hu, Z.;Willers, T.;Bohaty, L.;Becker, P.;Tanaka, A.;Hsieh, H. H.;Lin, H. -J.;Chen, C. T.;Tjeng, L. H.;
7:5:9:12 Lattice dynamics and temperature-dependent Raman and infrared studies of multiferroic Mn0.85Co0.15WO4 and Mn0.97Fe0.03WO4 crystals
DOI:10.1103/PhysRevB.83.174439 JN:PHYSICAL REVIEW B PY:2011 TC:20 AU: Maczka, M.;Ptak, M.;Hermanowicz, K.;Majchrowski, A.;Pikul, A.;Hanuza, J.;
7:5:9:13 Neutron diffraction, magnetic, and magnetoelectric studies of phase transitions in multiferroic Mn0.90Co0.10WO4
DOI:10.1103/PhysRevB.85.094436 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Urcelay-Olabarria, I.;Ressouche, E.;Mukhin, A. A.;Ivanov, V. Yu;Balbashov, A. M.;Vorobev, G. P.;Popov, Yu F.;Kadomtseva, A. M.;Garcia-Munoz, J. L.;Skumryev, V.;
7:5:9:14 Magnetic-field-induced spontaneous polarization reversal in multiferroic Mn0.85Co0.15WO4
DOI:10.1103/PhysRevB.89.054414 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Poudel, N.;Liang, K. -C.;Wang, Y. -Q.;Sun, Y. Y.;Lorenz, B.;Ye, F.;Fernandez-Baca, J. A.;Chu, C. W.;
7:5:9:15 Lattice anomalies at the ferroelectric and magnetic transitions in cycloidal Mn0.95Co0.05WO4 and conical Mn0.80Co0.20WO4 multiferroics
DOI:10.1103/PhysRevB.86.184412 JN:PHYSICAL REVIEW B PY:2012 TC:0 AU: Urcelay-Olabarria, I.;Garcia-Munoz, J. L.;Ressouche, E.;Skumryev, V.;Ivanov, V. Yu.;Mukhin, A. A.;Balbashov, A. M.;
7:5:9:16 Second harmonic generation on incommensurate structures: The case of multiferroic MnWO4
DOI:10.1103/PhysRevB.82.155112 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Meier, D.;Leo, N.;Yuan, G.;Lottermoser, Th.;Fiebig, M.;Becker, P.;Bohaty, L.;
7:5:9:17 Time-resolved imaging of magnetoelectric switching in multiferroic MnWO4
DOI:10.1103/PhysRevB.84.184404 JN:PHYSICAL REVIEW B PY:2011 TC:13 AU: Hoffmann, T.;Thielen, P.;Becker, P.;Bohaty, L.;Fiebig, M.;
7:5:9:18 X phase of MnWO4
DOI:10.1103/PhysRevB.90.024408 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Urcelay-Olabarria, I.;Ressouche, E.;Mukhin, A. A.;Ivanov, V. Yu.;Kadomtseva, A. M.;Popov, Yu. F.;Vorob'ev, G. P.;Balbashov, A. M.;Garcia-Munoz, J. L.;Skumryev, V.;
7:5:9:19 Spin dynamics in the multiferroic materials (invited)
DOI:10.1063/1.3677863 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Ye, Feng;Fishman, Randy S.;Haraldsen, Jason;Lorenz, Bernd;Chu, C. W.;Kimura, Tsuyoshi;
7:5:9:20 Ion doping effects in multiferroic MnWO4
DOI:10.1063/1.4703913 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Bahoosh, Safa Golrokh;Wesselinowa, J. M.;
7:5:9:21 Multiferroic phase stability in non-stoichiometric MnWO4
DOI:10.1063/1.4866087 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Yu, H. W.;Li, X.;Li, L.;Liu, M. F.;Yan, Z. B.;Liu, J. -M.;
7:5:9:22 Electronic structure and anomalous band-edge absorption feature in multiferroic MnWO4: An optical spectroscopic study
DOI:10.1103/PhysRevB.81.205111 JN:PHYSICAL REVIEW B PY:2010 TC:6 AU: Choi, Woo Seok;Taniguchi, K.;Moon, S. J.;Seo, S. S. A.;Arima, T.;Hoang, H.;Yang, I. -S.;Noh, T. W.;Lee, Y. S.;
7:5:9:23 Observation of spontaneous ferroelectric polarization reversal in multiferroic Mn1-xNixWO4 (x approximate to 0.16)
DOI:10.1063/1.4885392 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Song, Young-Sang;Chung, Jae-Ho;Shin, Kwang Woo;Kim, Kee Hoon;Oh, In Hwan;
7:5:9:24 Multiferroic Phase Control in MnWO4 Doped with Fe, Co, and Zn: A Comparative Study
DOI:10.1080/10584587.2011.616403 JN:INTEGRATED FERROELECTRICS PY:2011 TC:4 AU: Liang, K. -C.;Chaudhury, R. P.;Lorenz, B.;Wang, Y. Q.;Sun, Y. Y.;Chu, C. W.;
7:5:9:25 Control of Improper Ferroelectricity by Chemical Substitution and Magnetic Fields in Multiferroic Mn1-xCuxWO4
DOI:10.1080/00150193.2014.922815 JN:FERROELECTRICS PY:2014 TC:1 AU: Liang, K. -C.;Wang, Y. Q.;Sun, Y. Y.;Lorenz, B.;Chu, C. W.;
7:5:9:26 Field-induced continuous rotation of the polarization in multiferroic Mn0.95Co0.05WO4
DOI:10.1063/1.3671419 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Liang, K. -C.;Chaudhury, R. P.;Wang, Y. Q.;Sun, Y. Y.;Lorenz, B.;Chu, C. W.;
7:5:9:27 Neutron Laue Diffraction Study on the Magnetic Phase Diagram of Multiferroic MnWO4 under Pulsed High Magnetic Fields
DOI:10.1103/PhysRevLett.106.237202 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:10 AU: Nojiri, H.;Yoshii, S.;Yasui, M.;Okada, K.;Matsuda, M.;Jung, J. -S.;Kimura, T.;Santodonato, L.;Granroth, G. E.;Ross, K. A.;Carlo, J. P.;Gaulin, B. D.;
7:5:9:28 Kinetics of the multiferroic switching in MnWO4
DOI:10.1103/PhysRevB.89.144406 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Baum, M.;Leist, J.;Finger, Th.;Schmalzl, K.;Hiess, A.;Regnault, L. P.;Becker, P.;Bohaty, L.;Eckold, G.;Braden, M.;
7:5:9:29 Long-range magnetic interactions in the multiferroic antiferromagnet MnWO4 (vol 83, 140401, 2011)
DOI:10.1103/PhysRevB.84.179901 JN:PHYSICAL REVIEW B PY:2011 TC:0 AU: Ye, Feng;Fishman, Randy S.;Fernandez-Baca, Jaime A.;Podlesnyak, Andrey A.;Ehlers, Georg;Mook, Herbert A.;Wang, Yaqi;Lorenz, Bernd;Chu, C. W.;
7:5:9:30 Induced motion of domain walls in multiferroics with quadratic interaction
DOI:10.1016/j.jmmm.2013.05.046 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:0 AU: Gerasimchuk, Victor S.;Shitov, Anatoliy A.;
7:5:10:1 Giant Improper Ferroelectricity in the Ferroaxial Magnet CaMn7O12
DOI:10.1103/PhysRevLett.108.067201 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:58 AU: Johnson, R. D.;Chapon, L. C.;Khalyavin, D. D.;Manuel, P.;Radaelli, P. G.;Martin, C.;
7:5:10:2 Multiferroic properties of CaMn7O12
DOI:10.1103/PhysRevB.84.174413 JN:PHYSICAL REVIEW B PY:2011 TC:29 AU: Zhang, Guoquan;Dong, Shuai;Yan, Zhibo;Guo, Yanyan;Zhang, Qinfang;Yunoki, Seiji;Dagotto, Elbio;Liu, J. -M.;
7:5:10:3 General Theory for the Ferroelectric Polarization Induced by Spin-Spiral Order
DOI:10.1103/PhysRevLett.107.157202 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:21 AU: Xiang, H. J.;Kan, E. J.;Zhang, Y.;Whangbo, M. -H.;Gong, X. G.;
7:5:10:4 Giant Ferroelectric Polarization of CaMn7O12 Induced by a Combined Effect of Dzyaloshinskii-Moriya Interaction and Exchange Striction
DOI:10.1103/PhysRevLett.108.187204 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:23 AU: Lu, X. Z.;Whangbo, M. -H.;Dong, Shuai;Gong, X. G.;Xiang, H. J.;
7:5:10:5 Magnetic properties and origins of ferroelectric polarization in multiferroic CaMn7O12
DOI:10.1103/PhysRevB.87.075127 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Zhang, J. T.;Lu, X. M.;Zhou, J.;Sun, H.;Huang, F. Z.;Zhu, J. S.;
7:5:10:6 Predicting the spin-lattice order of frustrated systems from first principles
DOI:10.1103/PhysRevB.84.224429 JN:PHYSICAL REVIEW B PY:2011 TC:14 AU: Xiang, H. J.;Kan, E. J.;Wei, Su-Huai;Whangbo, M. -H.;Gong, X. G.;
7:5:10:7 Possible coupling between magnons and phonons in multiferroic CaMn7O12
DOI:10.1103/PhysRevB.90.054307 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Kadlec, Filip;Goian, Veronica;Kadlec, Christelle;Kempa, Martin;Vanek, Premysl;Taylor, Jon;Rols, Stephane;Prokleska, Jan;Orlita, Milan;Kamba, Stanislav;
7:5:10:8 Magnetoelectric coupling driven by inverse magnetostriction in multiferroic BiMn3Mn4O12
DOI:10.1063/1.4789350 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Gauzzi, A.;Rousse, G.;Mezzadri, F.;Calestani, G. L.;Andre, G.;Bouree, F.;Calicchio, M.;Gilioli, E.;Cabassi, R.;Bolzoni, F.;Prodi, A.;Bordet, P.;Marezio, M.;
7:5:10:9 Unified model of ferroelectricity induced by spin order
DOI:10.1103/PhysRevB.88.054404 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Xiang, H. J.;Wang, P. S.;Whangbo, M. -H.;Gong, X. G.;
7:5:10:10 Successive Magnetic Phase Transitions and Multiferroicity in the Spin-One Triangular-Lattice Antiferromagnet Ba3NiNb2O9
DOI:10.1103/PhysRevLett.109.257205 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:8 AU: Hwang, J.;Choi, E. S.;Ye, F.;Dela Cruz, C. R.;Xin, Y.;Zhou, H. D.;Schlottmann, P.;
7:5:10:11 Helicoidal magnetic structure and ferroelectric polarization in Cu3Nb2O8
DOI:10.1103/PhysRevB.86.174401 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Li, Zheng-Lu;Whangbo, M. -H.;Gong, X. G.;Xiang, H. J.;
7:5:10:12 Spin-phonon and magnetostriction phenomena in CaMn7O12 helimagnet probed by Raman spectroscopy
DOI:10.1063/1.4902234 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Nonato, A.;Araujo, B. S.;Ayala, A. P.;Maciel, A. P.;Yanez-Vilar, S.;Sanchez-Andujar, M.;Senaris-Rodriguez, M. A.;Paschoal, C. W. A.;
7:5:10:13 Multiferroicity in Mn-deficient Ca3CoMnO6: The consequence of Fe substitution
DOI:10.1063/1.4811814 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Lin, L.;Xie, Y. L.;Liu, M. F.;Guo, Y. J.;Yan, Z. B.;Liu, J. -M.;
7:5:10:14 Soft vibrational mode associated with incommensurate orbital order in multiferroic CaMn7O12
DOI:10.1103/PhysRevB.90.104414 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Du, Xinyu;Yuan, Renliang;Duan, Lian;Wang, Chong;Hu, Yuwen;Li, Yuan;
7:5:10:15 Prediction of a multiferroic state with large electric polarization in tensile-strained TbMnO3
DOI:10.1103/PhysRevB.88.060406 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Hou, Y. S.;Yang, J. H.;Gong, X. G.;Xiang, H. J.;
7:5:10:16 Raman study of phonons in CaMn7O12: Effects of structural modulation and structural transition
DOI:10.1103/PhysRevB.89.214302 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Iliev, M. N.;Hadjiev, V. G.;Gospodinov, M. M.;Nikolova, R. P.;Abrashev, M. V.;
7:5:10:17 Magnetic-Field Induced Competition of Two Multiferroic Orders in a Triangular-Lattice Helimagnet Mn I-2
DOI:10.1103/PhysRevLett.106.167206 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:7 AU: Kurumaji, T.;Seki, S.;Ishiwata, S.;Murakawa, H.;Tokunaga, Y.;Kaneko, Y.;Tokura, Y.;
7:5:10:18 Magnetic ordering and multiferroicity in MnI2
DOI:10.1103/PhysRevB.86.134413 JN:PHYSICAL REVIEW B PY:2012 TC:0 AU: Wu, Xianxin;Cai, Yingxiang;Xie, Qing;Weng, Hongming;Fan, Heng;Hu, Jiangping;
7:5:11:1 Temperature- and magnetic-field-induced magnetization reversal in perovskite YFe0.5Cr0.5O3
DOI:10.1063/1.3590714 JN:APPLIED PHYSICS LETTERS PY:2011 TC:25 AU: Mao, Jinhua;Sui, Yu;Zhang, Xingquan;Su, Yantao;Wang, Xianjie;Liu, Zhiguo;Wang, Yi;Zhu, Ruibin;Wang, Yang;Liu, Wanfa;Tang, Jinke;
7:5:11:2 Magnetic features in REMeO3 perovskites and their solid solutions (RE=rare-earth, Me=Mn, Cr)
DOI:10.1016/j.jmmm.2013.02.022 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:6 AU: Moure, Carlos;Pena, Octavio;
7:5:11:3 Positive exchange bias from magnetization reversal in La1-xPrxCrO3 (x similar to 0.7-0.85)
DOI:10.1063/1.3644473 JN:APPLIED PHYSICS LETTERS PY:2011 TC:22 AU: Yoshii, Kenji;
7:5:11:4 Positive and negative exchange bias effects in the simple perovskite manganite NdMnO3
DOI:10.1063/1.4751990 JN:APPLIED PHYSICS LETTERS PY:2012 TC:20 AU: Hong, Fang;Cheng, Zhenxiang;Wang, Jianli;Wang, Xiaolin;Dou, Shixue;
7:5:11:5 Temperature-induced magnetization reversal in BiFe0.5Mn0.5O3 synthesized at high pressure
DOI:10.1103/PhysRevB.82.100416 JN:PHYSICAL REVIEW B PY:2010 TC:24 AU: Mandal, P.;Sundaresan, A.;Rao, C. N. R.;Iyo, A.;Shirage, P. M.;Tanaka, Y.;Simon, Ch.;Pralong, V.;Lebedev, O. I.;Caignaert, V.;Raveau, B.;
7:5:11:6 Coexistence of sign reversal of both magnetization and exchange bias field in the core-shell type La0.2Ce0.8CrO3 nanoparticles
DOI:10.1063/1.3453530 JN:APPLIED PHYSICS LETTERS PY:2010 TC:27 AU: Manna, P. K.;Yusuf, S. M.;Shukla, R.;Tyagi, A. K.;
7:5:11:7 Magnetization reversal and Yb3+/Cr3+ spin ordering at low temperature for perovskite YbCrO3 chromites
DOI:10.1063/1.3457905 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:25 AU: Su, Yuling;Zhang, Jincang;Feng, Zhenjie;Li, Li;Li, Beizhan;Zhou, Yun;Chen, Zhenping;Cao, Shixun;
7:5:11:8 Observation of tunable exchange bias in Sr2YbRuO6
DOI:10.1063/1.3505525 JN:APPLIED PHYSICS LETTERS PY:2010 TC:19 AU: Singh, R. P.;Tomy, C. V.;Grover, A. K.;
7:5:11:9 Bipolar switching of magnetization and tunable exchange bias in NdCr1-xMnxO3 (x=0.0-0.30)
DOI:10.1063/1.4891682 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Bora, Tribedi;Ravi, S.;
7:5:11:10 Magnetization switching of rare earth orthochromite CeCrO3
DOI:10.1063/1.4882642 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Cao, Yiming;Cao, Shixun;Ren, Wei;Feng, Zhenjie;Yuan, Shujuan;Kang, Baojuan;Lu, Bo;Zhang, Jincang;
7:5:11:11 Magnetization reversal in TmCrO3
DOI:10.1016/j.materresbull.2012.08.005 JN:MATERIALS RESEARCH BULLETIN PY:2012 TC:14 AU: Yoshii, Kenji;
7:5:11:12 Sign reversal of magnetization and exchange bias field in LaCr0.85Mn0.15O3
DOI:10.1063/1.4826903 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Bora, Tribedi;Ravi, S.;
7:5:11:13 Study of magnetization reversal in LaCr1-xFexO3 compounds
DOI:10.1063/1.4813516 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Bora, Tribedi;Ravi, S.;
7:5:11:14 Multiple temperature-induced magnetization reversals in SmCr1-xFexO3 system
DOI:10.1016/j.materresbull.2013.06.016 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:8 AU: Yin, L. H.;Liu, Y.;Tan, S. G.;Zhao, B. C.;Dai, J. M.;Song, W. H.;Sun, Y. P.;
7:5:11:15 Negative magnetization and the tunable exchange bias field in LaCr0.8Mn0.2O3
DOI:10.1016/j.jmmm.2014.01.063 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:5 AU: Bora, Tribedi;Ravi, S.;
7:5:11:16 Thermally activated magnetization reversal in bulk BiFe0.5Mn0.5O3
DOI:10.1103/PhysRevB.88.014431 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Delmonte, D.;Mezzadri, F.;Pernechele, C.;Calestani, G.;Spina, G.;Lantieri, M.;Solzi, M.;Cabassi, R.;Bolzoni, F.;Migliori, A.;Ritter, C.;Gilioli, E.;
7:5:11:17 Studies on (Sr1-xCax)MnO3 (0.0 <= x <= 1.0) ceramics having negative magnetization
DOI:10.1016/j.jmmm.2013.11.004 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:1 AU: Pawar, R. P.;Gaikwad, S. S.;Wu, S. Y.;Puri, Vijaya;
7:5:11:18 Magnetic structure and magnetic properties of Nd1-xNaxMnO3 compounds
DOI:10.1063/1.3656714 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Samantaray, B.;Ravi, S.;Das, A.;Srivastava, S. K.;
7:5:11:19 Large exchange bias and magnetocaloric effect in TbMn2Si2
DOI:10.1063/1.4903770 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Maji, Bibekananda;Ray, Mayukh K.;Suresh, K. G.;Banerjee, S.;
7:5:11:20 Negative magnetization of Li2Ni2Mo3O12: A spin system composed of distorted honeycomb lattices and linear chains
DOI:10.1103/PhysRevB.84.104402 JN:PHYSICAL REVIEW B PY:2011 TC:1 AU: Hase, Masashi;Pomjakushin, Vladimir Yu;Sikolenko, Vadim;Keller, Lukas;Luetkens, Hubertus;Doenni, Andreas;Kitazawa, Hideaki;
7:5:11:21 Spin reversal, magnetic domains and relaxation mechanisms in Er(Co,Mn)O-3 perovskites
DOI:10.1016/j.tsf.2009.10.029 JN:THIN SOLID FILMS PY:2010 TC:1 AU: Pena, O.;Antunes, A. B.;Gil, V.;Moure, C.;de Brion, S.;
7:5:12:1 Multiferroic phase of doped delafossite CuFeO2 identified using inelastic neutron scattering
DOI:10.1103/PhysRevB.82.020404 JN:PHYSICAL REVIEW B PY:2010 TC:35 AU: Haraldsen, Jason T.;Ye, Feng;Fishman, Randy S.;Fernandez-Baca, Jaime A.;Yamaguchi, Yasuhiro;Kimura, Kenta;Kimura, Tsuyoshi;
7:5:12:2 Noncollinear magnetic phases of a triangular-lattice antiferromagnet and of doped CuFeO2
DOI:10.1103/PhysRevB.81.020402 JN:PHYSICAL REVIEW B PY:2010 TC:17 AU: Fishman, Randy S.;Okamoto, Satoshi;
7:5:12:3 Magnons and electromagnons in a spin-lattice-coupled frustrated magnet CuFeO2 as seen via inelastic neutron scattering
DOI:10.1103/PhysRevB.84.184401 JN:PHYSICAL REVIEW B PY:2011 TC:15 AU: Nakajima, Taro;Suno, Azusa;Mitsuda, Setsuo;Terada, Noriki;Kimura, Shojiro;Kaneko, Koji;Yamauchi, Hiroki;
7:5:12:4 Electromagnons in the Spin Collinear State of a Triangular Lattice Antiferromagnet
DOI:10.1103/PhysRevLett.105.097207 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:25 AU: Seki, S.;Kida, N.;Kumakura, S.;Shimano, R.;Tokura, Y.;
7:5:12:5 Mapping the magnetic phase diagram of the frustrated metamagnet CuFeO2
DOI:10.1103/PhysRevB.81.224420 JN:PHYSICAL REVIEW B PY:2010 TC:15 AU: Lummen, T. T. A.;Strohm, C.;Rakoto, H.;van Loosdrecht, P. H. M.;
7:5:12:6 Magnetic interactions in the multiferroic phase of CuFe1-xGaxO2 (x=0.035) refined by inelastic neutron scattering with uniaxial-pressure control of domain structure
DOI:10.1103/PhysRevB.85.144405 JN:PHYSICAL REVIEW B PY:2012 TC:9 AU: Nakajima, Taro;Mitsuda, Setsuo;Haraldsen, Jason T.;Fishman, Randy S.;Hong, Tao;Terada, Noriki;Uwatoko, Yoshiya;
7:5:12:7 Phase Diagram of a Geometrically Frustrated Triangular-Lattice Antiferromagnet in a Magnetic Field
DOI:10.1103/PhysRevLett.106.037206 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:12 AU: Fishman, Randy S.;
7:5:12:8 Effect of interlayer interactions and lattice distortions on the magnetic ground state and spin dynamics of a geometrically frustrated triangular-lattice antiferromagnet
DOI:10.1103/PhysRevB.82.144441 JN:PHYSICAL REVIEW B PY:2010 TC:11 AU: Haraldsen, J. T.;Fishman, R. S.;
7:5:12:9 Spin-wave dynamics for the high-magnetic-field phases of the frustrated CuFeO2 antiferromagnet: Predictions for inelastic neutron scattering
DOI:10.1103/PhysRevB.86.024412 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Haraldsen, J. T.;Fishman, R. S.;Brown, G.;
7:5:12:10 Quantum spin fluctuations for a distorted incommensurate spiral
DOI:10.1103/PhysRevB.85.024411 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Fishman, Randy S.;
7:5:12:11 Monte Carlo and variational calculations of the magnetic phase diagram of CuFeO2
DOI:10.1103/PhysRevB.85.020405 JN:PHYSICAL REVIEW B PY:2012 TC:7 AU: Fishman, Randy S.;Brown, Gregory;Haraldsen, Jason T.;
7:5:12:12 Multifrequency ESR measurements of the triangular lattice antiferromagnet CuFeO2 in high magnetic fields
DOI:10.1103/PhysRevB.84.104449 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Kimura, Shojiro;Fujita, Takahito;Nishihagi, Naoki;Yamaguchi, Hironori;Kashiwagi, Takanari;Hagiwara, Masayuki;Terada, Noriki;Sawai, Yoshiki;Kindo, Koichi;
7:5:12:13 Spin-driven bond order in a 1/5-magnetization plateau phase in the triangular lattice antiferromagnet CuFeO2
DOI:10.1103/PhysRevB.88.134414 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Nakajima, Taro;Terada, Noriki;Mitsuda, Setsuo;Bewley, Robert;
7:5:12:14 Spin-lattice coupling and helical-spin driven ferroelectric polarization in multiferroic CuFeO2
DOI:10.1063/1.3486158 JN:APPLIED PHYSICS LETTERS PY:2010 TC:5 AU: Zhong, Chonggui;Cao, Haixia;Fang, Jinghuai;Jiang, Xuefan;Ji, Xianming;Dong, Zhengchao;
7:5:12:15 Orbital topology, interlayer spin coupling, and magnetic anisotropy of the CuFeO2 compound
DOI:10.1103/PhysRevB.83.134422 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Malvestuto, M.;Bondino, F.;Magnano, E.;Lummen, T. T. A.;van Loosdrecht, P. H. M.;Parmigiani, F.;
7:5:12:16 Structural, magnetic, and ferroelectric properties of CuFe1-xMnxO2
DOI:10.1103/PhysRevB.87.064418 JN:PHYSICAL REVIEW B PY:2013 TC:6 AU: Hayashi, K.;Fukatsu, R.;Nozaki, T.;Miyazaki, Y.;Kajitani, T.;
7:5:12:17 Electromagnon by chiral spin dynamics in the triangular lattice antiferromagnet
DOI:10.1103/PhysRevB.90.060413 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Kimura, S.;Fujita, T.;Hagiwara, M.;Yamaguchi, H.;Kashiwagi, T.;Terada, N.;Sawada, Y.;Watanabe, K.;
7:5:12:18 Electric polarization along the c axis in the ferroelectric helimagnetic phase of CuFe1-xGaxO2 (x=0.035)
DOI:10.1103/PhysRevB.90.085109 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Kaneko, Chikafumi;Nakajima, Taro;Mitsuda, Setsuo;Tanaka, Yoshikazu;Terada, Noriki;
7:5:12:19 Unusual doping effect of non-magnetic ion on magnetic properties of CuFe1-xGaxO2
DOI:10.1016/j.jmmm.2014.07.014 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:0 AU: Shi, Liran;Jin, Zhao;Chen, Borong;Xia, Nianming;Zuo, Huakun;Wang, Yeshuai;Ouyang, Zhongwen;Xia, Zhengcai;
7:5:12:20 Charge disproportionation associated with spin ordering in delafossite CuFeO2 as seen via resonant x-ray diffraction
DOI:10.1103/PhysRevB.81.064424 JN:PHYSICAL REVIEW B PY:2010 TC:3 AU: Terada, N.;Nakajima, T.;Mitsuda, S.;Tanaka, Y.;Mamiya, H.;Kitazawa, H.;
7:5:12:21 Phase separation in thermoelectric delafossite CuFe1-xNixO2 observed by soft x-ray magnetic circular dichroism
DOI:10.1063/1.3609248 JN:APPLIED PHYSICS LETTERS PY:2011 TC:1 AU: Kang, J. -S.;Kim, D. H.;Hwang, Jihoon;Lee, Eunsook;Nozaki, T.;Hayashi, K.;Kajitani, T.;Park, B. -G.;Kim, J. -Y.;Min, B. I.;
7:5:12:22 Density Functional Investigation of the Difference in the Magnetic Structures of the Layered Triangular Antiferromagnets CuFeO2 and AgCrO2
DOI:10.1021/cm2011567 JN:CHEMISTRY OF MATERIALS PY:2011 TC:0 AU: Zhang, Yuemei;Kan, Erjun;Whangbo, Myung-Hwan;
7:5:12:23 The enhanced spontaneous dielectric polarization in Ga doped CuFeO2
DOI:10.1063/1.4899243 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Shi, Liran;Xia, Zhengcai;Wei, Meng;Huang, Junwei;Chen, Borong;Long, Zhuo;Shang, Cui;Ouyang, Zhongwen;Xia, Nianming;
7:5:12:24 Dynamic behavior of magnetoelectric coupling of CuFeO2 induced by a high magnetic field
DOI:10.1063/1.4868578 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Xia, Nianming;Shi, Liran;Xia, Zhengcai;Chen, Borong;Jin, Zhao;Wang, Yeshuai;Ouyang, Zhongwen;Zuo, Huakun;Shen, Yining;
7:5:12:25 Incommensurate Orbital Modulation behind Ferroelectricity in CuFeO2
DOI:10.1103/PhysRevLett.109.127205 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:7 AU: Tanaka, Yoshikazu;Terada, Noriki;Nakajima, Taro;Taguchi, Munetaka;Kojima, Taro;Takata, Yasutaka;Mitsuda, Setsuo;Oura, Masaki;Senba, Yasunori;Ohashi, Haruhiko;Shin, Shik;
7:5:12:26 Cation Distribution Dependence on Thermoelectric Properties of Doped Spinel M0.6Fe2.4O4
DOI:10.2320/matertrans.M2012023 JN:MATERIALS TRANSACTIONS PY:2012 TC:0 AU: Nozaki, Tomohiro;Hayashi, Kei;Miyazaki, Yuzuru;Kajitani, Tsuyoshi;
7:5:12:27 Control of ferroelectric polarization via uniaxial pressure in the spin-lattice-coupled multiferroic CuFe1-xGaxO2
DOI:10.1103/PhysRevB.83.220101 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Nakajima, Taro;Mitsuda, Setsuo;Nakamura, Takashi;Ishii, Hajime;Haku, Tendai;Honma, Yuki;Kosaka, Masashi;Aso, Naofumi;Uwatoko, Yoshiya;
7:5:12:28 Multiferroic phase of doped delafossite CuFeO2 identified using inelastic neutron scattering (vol 82, 020404, 2010)
DOI:10.1103/PhysRevB.82.029901 JN:PHYSICAL REVIEW B PY:2010 TC:0 AU: Haraldsen, Jason T.;Ye, Feng;Fishman, Randy S.;Fernandez-Baca, Jaime A.;Yamaguchi, Yasuhiro;Kimura, Kenta;Kimura, Tsuyoshi;
7:5:12:29 Spin-driven bond order in a 1/5-magnetization plateau phase in the triangular lattice antiferromagnet CuFeO2 (vol 88, 134414, 2013)
DOI:10.1103/PhysRevB.89.019901 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Nakajima, Taro;Terada, Noriki;Mitsuda, Setsuo;Bewley, Robert;
7:5:12:30 Global stability and the magnetic phase diagram of a geometrically frustrated triangular lattice antiferromagnet
DOI:10.1063/1.3553780 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Fishman, Randy S.;Haraldsen, Jason T.;
7:5:12:31 Soft x-ray synchrotron radiation spectroscopy study of CuFe1-xNixO2 (0 <= x <= 0.03) delafossite oxides
DOI:10.1063/1.3561041 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Kim, D. H.;Hwang, J. H.;Lee, K. H.;Kang, J. -S.;Nozaki, T.;Hayashi, K.;Kajitani, T.;Park, B. -G.;Kim, J. -Y.;Min, B. I.;
7:5:13:1:1 Spin-state crossover in multiferroic Ca3Co2-xMnxO6
DOI:10.1103/PhysRevB.81.092402 JN:PHYSICAL REVIEW B PY:2010 TC:17 AU: Flint, R.;Yi, H. -T.;Chandra, P.;Cheong, S. -W.;Kiryukhin, V.;
7:5:13:1:2 Short-range ferromagnetic correlations in the spin-chain compound Ca3CoMnO6
DOI:10.1103/PhysRevB.84.054435 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Ouyang, Z. W.;Xia, N. M.;Wu, Y. Y.;Sheng, S. S.;Chen, J.;Xia, Z. C.;Li, L.;
7:5:13:1:3 Anomalies of inverse direct current susceptibility in spin-chain compounds Ca3Co2-xMnxO6
DOI:10.1063/1.3671025 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Sheng, S. S.;Ouyang, Z. W.;Xia, N. M.;Chen, J.;Wu, Y. Y.;Xia, Z. C.;Li, L.;
7:5:13:1:4 High-field magnetization and ESR studies of spin-chain compound Ca3CoMnO6
DOI:10.1016/j.jmmm.2013.05.042 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:1 AU: Ruan, M. Y.;Ouyang, Z. W.;Sheng, S. S.;Shi, X. M.;Guo, Y. M.;Cheng, J. J.;Xia, Z. C.;
7:5:13:1:5 Multiferroicity with coexisting isotropic and anisotropic spins in Ca3Co2-xMnxO6
DOI:10.1103/PhysRevB.89.060404 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Kim, Jae Wook;Kamiya, Y.;Mun, Eun Deok;Jaime, M.;Harrison, N.;Thompson, J. D.;Kiryukhin, V.;Yi, H. T.;Oh, Y. S.;Cheong, S. -W.;Batista, C. D.;Zapf, V. S.;
7:5:13:1:6 Magnetoelectric coupling in Ca3CoMnO6
DOI:10.1063/1.3499262 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:13 AU: Kaushik, S. D.;Rayaprol, S.;Saha, J.;Mohapatra, N.;Siruguri, V.;Babu, P. D.;Patnaik, S.;Sampathkumaran, E. V.;
7:5:13:1:7 Effect of Mn doping on the 1/3 magnetization step in Ca3Co2-xMnxO6
DOI:10.1016/j.jmmm.2013.04.040 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:2 AU: Ruan, M. Y.;Ouyang, Z. W.;Sheng, S. S.;Shi, X. M.;Xia, Z. C.;Rao, G. H.;
7:5:13:1:8 Crystal structure, magnetic properties and ESR spectra of Ca3Co2-xFexO6
DOI:10.1016/j.jallcom.2011.09.010 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:5 AU: Chen, J.;Ouyang, Z. W.;Xia, N. M.;Sheng, S. S.;Wu, Y. Y.;Xia, Z. C.;Li, L.;
7:5:13:1:9 Magnetic anisotropy and spin-glass behavior in spin-chain compound Ca3Co1.62Mn0.38O6
DOI:10.1016/j.jallcom.2012.12.133 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:3 AU: Sheng, S. S.;Ouyang, Z. W.;Chen, J.;Ruan, M. Y.;Shi, X. M.;Xia, Z. C.;
7:5:13:1:10 Spin-glass-like freezing in spin-chain compounds Ca3Co2-xMnxO6: Effect of disorder
DOI:10.1063/1.4767225 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Ouyang, Z. W.;Sheng, S. S.;Chen, J.;Shi, X. M.;Ruan, M. Y.;Xia, Z. C.;Li, L.;
7:5:13:1:11 High-field magnetization study of spin-chain compounds Ca3Co2 (-) xMnxO6
DOI:10.1016/j.jmmm.2014.02.088 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:0 AU: Ruan, M. Y.;Ouyang, Z. W.;Sheng, S. S.;Shi, X. M.;Guo, Y. M.;Cheng, J. J.;Rao, G. H.;Xia, Z. C.;
7:5:13:1:12 Effect of nonmagnetic Sc ion on the intrachain coupling in spin-chain compounds Ca3Co2-xScxO6
DOI:10.1063/1.3686655 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Ruan, M. Y.;Ouyang, Z. W.;Chen, J.;Sheng, S. S.;Xia, Z. C.;Li, L.;
7:5:13:1:13 Raman study of Ca3Co2O6 single crystals
DOI:10.1063/1.3512899 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:5 AU: Gohil, Smita;Iyer, Kartik K.;Aswathi, P.;Ghosh, Shankar;Sampathkumaran, E. V.;
7:5:13:1:14 Magnetocapacitance in Ca3CoMnO6
DOI:10.1063/1.3565199 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:0 AU: Kaushik, S. D.;Rayaprol, S.;Saha, J.;Mohapatra, N.;Siruguri, V.;Babu, P. D.;Patnaik, S.;
7:5:13:2:1 Slow Magnetic Order-Order Transition in the Spin Chain Antiferromagnet Ca3Co2O6
DOI:10.1103/PhysRevLett.106.197204 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:23 AU: Agrestini, S.;Fleck, C. L.;Chapon, L. C.;Mazzoli, C.;Bombardi, A.;Lees, M. R.;Petrenko, O. A.;
7:5:13:2:2 Formation of Magnetic Microphases in Ca3Co2O6
DOI:10.1103/PhysRevLett.109.067204 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:14 AU: Kamiya, Y.;Batista, C. D.;
7:5:13:2:3 Macroscopic phase diagram and magnetocaloric study of metamagnetic transitions in the spin chain system Ca3Co2O6
DOI:10.1103/PhysRevB.89.144414 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Lampen, P.;Bingham, N. S.;Phan, M. H.;Srikanth, H.;Yi, H. T.;Cheong, S. W.;
7:5:13:2:4 Spin correlations in Ca3Co2O6: Polarized-neutron diffraction and Monte Carlo study
DOI:10.1103/PhysRevB.90.014411 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Paddison, Joseph A. M.;Agrestini, Stefano;Lees, Martin R.;Fleck, Catherine L.;Deen, Pascale P.;Goodwin, Andrew L.;Stewart, J. Ross;Petrenko, Oleg A.;
7:5:13:2:5 NMR study of magnetic order, metamagnetic transitions, and low-temperature spin freezing in Ca3Co2O6
DOI:10.1103/PhysRevB.83.104408 JN:PHYSICAL REVIEW B PY:2011 TC:11 AU: Allodi, G.;De Renzi, R.;Agrestini, S.;Mazzoli, C.;Lees, M. R.;
7:5:13:2:6 Exchange interactions in Ca3Co2O6 probed locally by NMR
DOI:10.1103/PhysRevB.89.104401 JN:PHYSICAL REVIEW B PY:2014 TC:2 AU: Allodi, G.;Santini, P.;Carretta, S.;Agrestini, S.;Mazzoli, C.;Bombardi, A.;Lees, M. R.;De Renzi, R.;
7:5:13:2:7 Brownmillerite Ca2Co2O5: Synthesis, Stability, and Re-entrant Single Crystal to Single Crystal Structural Transitions
DOI:10.1021/cm503873x JN:CHEMISTRY OF MATERIALS PY:2014 TC:3 AU: Zhang, Junjie;Zheng, Hong;Malliakas, Christos D.;Allred, Jared M.;Ren, Yang;Li, Qing'an;Han, Tian-Heng;Mitchell, J. F.;
7:5:13:2:8 Anisotropic spin dynamics in the frustrated chain Ca3Co2O6 detected by single-crystal Co-59 NMR
DOI:10.1103/PhysRevB.82.094430 JN:PHYSICAL REVIEW B PY:2010 TC:6 AU: Shimizu, Yasuhiro;Horibe, Munehisa;Nanba, Hiroshi;Takami, Tsuyoshi;Itoh, Masayuki;
7:5:13:2:9 Anisotropy modulated stepwise magnetization in triangular Heisenberg antiferromagnet
DOI:10.1016/j.jmmm.2011.07.030 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:1 AU: Yao, Xiaoyan;Liu, Jun-Ming;Lo, Veng Cheong;
7:5:13:2:10 Defect dependent multiple magnetization plateaus in frustrated spin-chain cobaltate
DOI:10.1016/j.jmmm.2013.02.037 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:2 AU: Hu, Yong;Wu, Guozhen;Liu, Yan;Yang, Xiaolong;Du, An;
7:5:13:2:11 One-dimensional dispersive magnon excitation in the frustrated spin-2 chain system Ca3Co2O6
DOI:10.1103/PhysRevB.88.224403 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:5:13:2:12 Two-dimensional and three-dimensional simulation of magnetic relaxation in frustrated spin-chain systems: Ca3Co2O6
DOI:10.1103/PhysRevB.83.092404 JN:PHYSICAL REVIEW B PY:2011 TC:12 AU: Kudasov, Yu. B.;Korshunov, A. S.;Pavlov, V. N.;Maslov, D. A.;
7:5:13:2:13 Quantum Monte Carlo study of molecular polarization and antiferroelectric ordering in squaric acid crystals
DOI:10.1103/PhysRevB.84.064120 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Ishizuka, Hiroaki;Motome, Yukitoshi;Furukawa, Nobuo;Suzuki, Sei;
7:5:13:2:14 Magnetic domain growth in geometrically frustrated Ising antiferromagnets Co1-xMgxNb2O6 (x=0 and 0.004) as seen via time-resolved neutron diffraction measurements
DOI:10.1103/PhysRevB.90.064431 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Nakajima, Taro;Mitsuda, Setsuo;Inomoto, Yu;Prokes, Karel;Sikolenko, Vadim;Gerischer, Sebastian;Kobayashi, Satoru;
7:5:13:2:15 Across the Structural Re-Entrant Transition in BaFe2(PO4)(2): Influence of the Two-Dimensional Ferromagnetism
DOI:10.1021/ja404697b JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2013 TC:3 AU: David, Renald;Pautrat, Alain;Filimonov, Dmitry;Kabbour, Houria;Vezin, Herve;Whangbo, Myung-Hwan;Mentre, Olivier;
7:5:13:2:16 Slow Magnetic Order-Order Transition in the Spin Chain Antiferromagnet Ca3Co2O6 (vol 106, 197204, 2011)
DOI:10.1103/PhysRevLett.107.239902 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:0 AU: Agrestini, S.;Fleck, C. L.;Chapon, L. C.;Mazzoli, C.;Bombardi, A.;Lees, M. R.;Petrenko, O. A.;
7:5:13:3:1 Spin frustration destruction and ferroelectricity modulation in Ca3CoMnO6: Effects of Mn deficiency
DOI:10.1063/1.3670967 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Lin, L.;Guo, Y. J.;Xie, Y. L.;Dong, S.;Yan, Z. B.;Liu, J. -M.;
7:5:13:3:2 Influence of Co:Mn ratio on multiferroicity of Ca3Co2-xMnxO6 around x similar to 1
DOI:10.1063/1.3464289 JN:APPLIED PHYSICS LETTERS PY:2010 TC:7 AU: Ding, P.;Li, L.;Guo, J.;He, Q. Y.;Gao, X. S.;Liu, J. -M.;
7:5:13:3:3 Enhanced multiferroicity in Mg-doped Ca3Co2-xMnxO6
DOI:10.1063/1.3292584 JN:APPLIED PHYSICS LETTERS PY:2010 TC:9 AU: Li, L.;Luo, W. Z.;Guo, Y. J.;Li, S. Z.;Luo, S. J.;Wang, K. F.;Liu, J. -M.;
7:5:13:3:4 Ferroelectricity enhanced by disorder in collinear-magnetism-induced multiferroic state
DOI:10.1063/1.4768444 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Yao, Xiaoyan;
7:5:13:4:1 Stabilization of the spin density wave structure with rare-earth substitution in Ca3Co2O6
DOI:10.1103/PhysRevB.87.094411 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Jain, Anil;Yusuf, S. M.;Meena, S. S.;Ritter, Clemens;
7:5:13:4:2 Short-range and long-range incommensurate magnetic ordering in the frustrated antiferromagnets Ca3Co2-xFexO6: A neutron diffraction study
DOI:10.1103/PhysRevB.83.184425 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Jain, Anil;Yusuf, S. M.;
7:5:14:1 Spin dynamics in the geometrically frustrated multiferroic CuCrO2
DOI:10.1103/PhysRevB.81.104411 JN:PHYSICAL REVIEW B PY:2010 TC:35 AU: Poienar, M.;Damay, F.;Martin, C.;Robert, J.;Petit, S.;
7:5:14:2 Magnetic excitations in the geometric frustrated multiferroic CuCrO2
DOI:10.1103/PhysRevB.84.094448 JN:PHYSICAL REVIEW B PY:2011 TC:16 AU: Frontzek, M.;Haraldsen, J. T.;Podlesnyak, A.;Matsuda, M.;Christianson, A. D.;Fishman, R. S.;Sefat, A. S.;Qiu, Y.;Copley, J. R. D.;Barilo, S.;Shiryaev, S. V.;Ehlers, G.;
7:5:14:3 Exciton-magnon transitions in the frustrated chromium antiferromagnets CuCrO2, alpha-CaCr2O4, CdCr2O4, and ZnCr2O4
DOI:10.1103/PhysRevB.87.224424 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Schmidt, M.;Wang, Zhe;Kant, Ch.;Mayr, F.;Toth, S.;Islam, A. T. M. N.;Lake, B.;Tsurkan, V.;Loidl, A.;Deisenhofer, J.;
7:5:14:4 High magnetic field evolution of ferroelectricity in CuCrO2
DOI:10.1103/PhysRevB.89.054411 JN:PHYSICAL REVIEW B PY:2014 TC:2 AU: Mun, Eundeok;Frontzek, M.;Podlesnyak, A.;Ehlers, G.;Barilo, S.;Shiryaev, S. V.;Zapf, Vivien S.;
7:5:14:5 Helical magnetic state in the distorted triangular lattice of alpha-CaCr2O4
DOI:10.1103/PhysRevB.83.024409 JN:PHYSICAL REVIEW B PY:2011 TC:16 AU: Chapon, L. C.;Manuel, P.;Damay, F.;Toledano, P.;Hardy, V.;Martin, C.;
7:5:14:6 Magnetic couplings in the quasi-2D triangular Heisenberg antiferromagnets alpha-ACr(2)O(4) (A=Ca, Sr, Ba)
DOI:10.1016/j.jmmm.2012.10.047 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:2 AU: Hardy, V.;Martin, C.;Damay, F.;Andre, G.;
7:5:14:7 Magnetic Soft Modes in the Distorted Triangular Antiferromagnet alpha-CaCr2O4
DOI:10.1103/PhysRevLett.109.127203 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:9 AU: Toth, S.;Lake, B.;Hradil, K.;Guidi, T.;Rule, K. C.;Stone, M. B.;Islam, A. T. M. N.;
7:5:14:8 Magnetic-field-induced phases in anisotropic triangular antiferromagnets: Application to CuCrO2
DOI:10.1103/PhysRevB.89.220405 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Lin, Shi-Zeng;Barros, Kipton;Mun, Eundeok;Kim, Jae-Wook;Frontzek, Matthias;Barilo, S.;Shiryaev, S. V.;Zapf, Vivien S.;Batista, Cristian D.;
7:5:14:9 Spiral-plane flop probed by ESR in the multiferroic triangular-lattice antiferromagnet CuCrO2
DOI:10.1103/PhysRevB.81.033104 JN:PHYSICAL REVIEW B PY:2010 TC:16 AU: Yamaguchi, H.;Ohtomo, S.;Kimura, S.;Hagiwara, M.;Kimura, K.;Kimura, T.;Okuda, T.;Kindo, K.;
7:5:14:10 120 degrees helical magnetic order in the distorted triangular antiferromagnet alpha-CaCr2O4
DOI:10.1103/PhysRevB.84.054452 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Toth, S.;Lake, B.;Kimber, S. A. J.;Pieper, O.;Reehuis, M.;Islam, A. T. M. N.;Zaharko, O.;Ritter, C.;Hill, A. H.;Ryll, H.;Kiefer, K.;Argyriou, D. N.;Williams, A. J.;
7:5:14:11 Local distortions in multiferroic AgCrO2 triangular spin lattice
DOI:10.1103/PhysRevB.84.014434 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Lopes, A. M. L.;Oliveira, G. N. P.;Mendonca, T. M.;Agostinho Moreira, J.;Almeida, A.;Araujo, J. P.;Amaral, V. S.;Correia, J. G.;
7:5:14:12 Origin of ferroelectric polarization in spiral magnetic structure of MnWO4
DOI:10.1103/PhysRevB.81.212406 JN:PHYSICAL REVIEW B PY:2010 TC:11 AU: Shanavas, K. V.;Choudhury, Debraj;Dasgupta, I.;Sharma, Surinder M.;Sarma, D. D.;
7:5:14:13 Quantum spin fluctuations and ellipticity for a triangular-lattice antiferromagnet
DOI:10.1103/PhysRevB.84.052405 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Fishman, Randy S.;
7:5:14:14 Multiferroicity in geometrically frustrated alpha-MCr2O4 systems (M = Ca, Sr, Ba)
DOI:10.1103/PhysRevB.86.064408 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Zhao, Li.;Lan, Tian-Wey;Wang, Kuen-Jen;Chien, Chia-Hua;Hung, Tsu-Lien;Luo, Jiu-Yong;Chao, Wei-Hsiang;Chang, Chung-Chieh;Chen, Yang-Yuan;Wu, Maw-Kuen;Martin, Christine;
7:5:14:15 Floating-zone growth and characterization of triangular lattice antiferromagnetic alpha-SrCr2O4 crystals
DOI:10.1016/j.jcrysgro.2014.01.063 JN:JOURNAL OF CRYSTAL GROWTH PY:2014 TC:0 AU: Zhao, Li;Wang, Kuen-Jen;Wen, Min-Hsueh;Wu, Maw-Kuen;
7:5:14:16 Multiferroicity and magnetoelectric coupling in alpha-CaCr2O4
DOI:10.1103/PhysRevB.84.064129 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Singh, Kiran;Simon, Charles;Toledano, Pierre;
7:5:14:17 Domain rearrangement and spin-spiral-plane flop as sources of magnetoelectric effects in delafossite CuCrO2
DOI:10.1103/PhysRevB.81.100406 JN:PHYSICAL REVIEW B PY:2010 TC:10 AU: Soda, Minoru;Kimura, Kenta;Kimura, Tsuyoshi;Hirota, Kazuma;
7:5:14:18 Magnetic dilution and steric effects in the multiferroic delafossite CuCrO2
DOI:10.1103/PhysRevB.86.054437 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Pachoud, E.;Singh, K.;Breard, Y.;Martin, C.;Andre, G.;Hardy, V.;Simon, Ch.;Maignan, A.;
7:5:14:19 ESR of the quasi-two-dimensional antiferromagnet CuCrO2 with a triangular lattice
DOI:10.1103/PhysRevB.88.144403 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Vasiliev, A. M.;Prozorova, L. A.;Svistov, L. E.;Tsurkan, V.;Dziom, V.;Shuvaev, A.;Pimenov, Anna;Pimenov, A.;
7:5:14:20 Magnetoelectric effects in an organometallic quantum magnet
DOI:10.1103/PhysRevB.83.140405 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Zapf, V. S.;Sengupta, P.;Batista, C. D.;Nasreen, F.;Wolff-Fabris, F.;Paduan-Filho, A.;
7:5:14:21 Ab initio study of the relation between electric polarization and electric field gradients in ferroelectrics
DOI:10.1103/PhysRevB.86.035145 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Goncalves, J. N.;Stroppa, A.;Correia, J. G.;Butz, T.;Picozzi, S.;Fenta, A. S.;Amaral, V. S.;
7:5:14:22 First-order ferroelastic transition in a magnetoelectric multiferroic: CuCrO2
DOI:10.1103/PhysRevB.88.224104 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:5:14:23 Experimental confirmation of spin gap in antiferromagnetic alternating spin-3/2 chain substances RCrGeO5 (R=Y or Sm-154) by inelastic neutron scattering experiments
DOI:10.1103/PhysRevB.90.024416 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Hase, Masashi;Soda, Minoru;Masuda, Takatsugu;Kawana, Daichi;Yokoo, Tetsuya;Itoh, Shinichi;Matsuo, Akira;Kindo, Koichi;Kohno, Masanori;
7:5:14:24 Proposed third long-range order in multiferroics
DOI:10.1103/PhysRevB.81.224414 JN:PHYSICAL REVIEW B PY:2010 TC:2 AU: Hu, C. D.;
7:5:14:25 High magnetic field evolution of ferroelectricity in CuCrO2 (vol 89, 054411, 2014)
DOI:10.1103/PhysRevB.89.099901 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Mun, Eundeok;Frontzek, M.;Podlesnyak, A.;Ehlers, G.;Barilo, S.;Shiryaev, S. V.;Zapf, Vivien S.;
7:5:15:1 Theory of Electromagnons in the Multiferroic Mn Perovskites: The Vital Role of Higher Harmonic Components of the Spiral Spin Order
DOI:10.1103/PhysRevLett.104.177206 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:42 AU: Mochizuki, Masahito;Furukawa, Nobuo;Nagaosa, Naoto;
7:5:15:2 Theory of Magnetic Switching of Ferroelectricity in Spiral Magnets
DOI:10.1103/PhysRevLett.105.187601 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:21 AU: Mochizuki, Masahito;Furukawa, Nobuo;
7:5:15:3 Terahertz magnetoelectric response via electromagnons in magnetic oxides
DOI:10.1016/j.jmmm.2012.02.078 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:7 AU: Kida, N.;Tokura, Y.;
7:5:15:4 Evidence for Electroactive Excitation of the Spin Cycloid in TbMnO3
DOI:10.1103/PhysRevLett.104.097202 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:25 AU: Shuvaev, A. M.;Travkin, V. D.;Ivanov, V. Yu.;Mukhin, A. A.;Pimenov, A.;
7:5:15:5 Theoretically Predicted Picosecond Optical Switching of Spin Chirality in Multiferroics
DOI:10.1103/PhysRevLett.105.147202 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:19 AU: Mochizuki, Masahito;Nagaosa, Naoto;
7:5:15:6 Nonmagnetic B-site substitution induced two-phase coexistence in multiferroic manganites: Monte Carlo simulation
DOI:10.1063/1.3594711 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Tao, Y. M.;Qin, M. H.;Dong, S.;Gao, X. S.;Liu, J. -M.;
7:5:15:7 Infrared reflectivity of the phonon spectra in multiferroic TbMnO3
DOI:10.1103/PhysRevB.82.144309 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Schleck, R.;Moreira, R. L.;Sakata, H.;Lobo, R. P. S. M.;
7:5:15:8 Multiferroic response to magnetic field in orthorhombic manganites
DOI:10.1063/1.3565241 JN:APPLIED PHYSICS LETTERS PY:2011 TC:5 AU: Qin, M. H.;Tao, Y. M.;Dong, S.;Zhao, H. B.;Gao, X. S.;Liu, J-M;
7:5:15:9 Magnetic Field Induced Dehybridization of the Electromagnons in Multiferroic TbMnO3
DOI:10.1103/PhysRevLett.107.027202 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:10 AU: Rovillain, P.;Cazayous, M.;Gallais, Y.;Measson, M-A.;Sacuto, A.;Sakata, H.;Mochizuki, M.;
7:5:15:10 Magnetoelectric excitations in multiferroic TbMnO3 by Raman scattering
DOI:10.1103/PhysRevB.81.054428 JN:PHYSICAL REVIEW B PY:2010 TC:18 AU: Rovillain, P.;Cazayous, M.;Gallais, Y.;Sacuto, A.;Measson, M-A.;Sakata, H.;
7:5:15:11 Electromagnon and phonon excitations in multiferroic TbMnO3
DOI:10.1103/PhysRevB.86.014437 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Rovillain, P.;Liu, J.;Cazayous, M.;Gallais, Y.;Measson, M-A.;Sakata, H.;Sacuto, A.;
7:5:15:12 Improvements of dielectric properties of Fe doped TbMnO3
DOI:10.1016/j.ceramint.2014.04.060 JN:CERAMICS INTERNATIONAL PY:2014 TC:2 AU: Xu, Jianxun;Cui, Yimin;Xu, Huaizhe;
7:5:15:13 Magnetic anisotropy and anomalous transitions in TbMnO3 thin films
DOI:10.1063/1.4754544 JN:APPLIED PHYSICS LETTERS PY:2012 TC:8 AU: Cui, Yimin;Tian, Yufeng;Shan, Aixian;Chen, Chinping;Wang, Rongming;
7:5:15:14 Multiferroic properties in orthorhombic perovskite manganites: Monte Carlo simulation
DOI:10.1063/1.3689162 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Qin, M. H.;Tao, Y. M.;Dong, S.;Zeng, M.;Wu, S. J.;Zhao, H. B.;Gao, X. S.;Liu, J. -M.;
7:5:15:15 Relaxation dynamics of multiferroic domain walls in DyMnO3 with cycloidal spin order
DOI:10.1103/PhysRevB.83.054413 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Kagawa, F.;Onose, Y.;Kaneko, Y.;Tokura, Y.;
7:5:15:16 Multiferroic phase competitions in perovskite manganite thin films
DOI:10.1063/1.3682079 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Qin, M. H.;Tao, Y. M.;Zeng, M.;Gao, X. S.;Wu, S. J.;Dong, S.;Liu, J. -M.;
7:5:15:17 Magnetoelectric susceptibility tensor of multiferroic TbMnO3 with cycloidal antiferromagnetic structure in external field
DOI:10.1063/1.4798820 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Bychkov, Igor V.;Kuzmin, Dmitry A.;Lamekhov, Sergey J.;Shavrov, Vladimir G.;
7:5:15:18 Sinusoidal electromagnon in RMnO3: Indication of anomalous magnetoelectric coupling
DOI:10.1103/PhysRevB.85.104412 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Stenberg, Markku P. V.;de Sousa, Rogerio;
7:5:15:19 Dielectric and impedance analysis of La doped-TbMnO3
DOI:10.1016/j.jallcom.2012.09.005 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:8 AU: Zhang, Yingtang;Tong, Ting;Kinsman, William;Jiang, Peng;Yin, Guilai;Li, Shengtao;
7:5:15:20 Soft-mode behavior of electromagnons in multiferroic manganite
DOI:10.1103/PhysRevB.82.174417 JN:PHYSICAL REVIEW B PY:2010 TC:3 AU: Shuvaev, A. M.;Hemberger, J.;Niermann, D.;Schrettle, F.;Loidl, A.;Ivanov, V. Yu.;Travkin, V. D.;Mukhin, A. A.;Pimenov, A.;
7:5:15:21 Observation of anomalous phonons in orthorhombic rare-earth manganites
DOI:10.1063/1.3533022 JN:APPLIED PHYSICS LETTERS PY:2010 TC:0 AU: Gao, P.;Chen, H. Y.;Tyson, T. A.;Liu, Z. X.;Bai, J. M.;Wang, L. P.;Choi, Y. J.;Cheong, S. -W.;
7:5:15:22 Multiferroic Materials and their Properties
DOI:10.1080/10584587.2011.616397 JN:INTEGRATED FERROELECTRICS PY:2011 TC:1 AU: Kumar, Pradeep;
7:5:15:23 Photoacoustic effect in a sinusoidally modulated structure
DOI:10.1063/1.3703606 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Wu, Binbin;Diebold, Gerald J.;
7:5:16:1 Multiferroics with Spiral Spin Orders
DOI:10.1002/adma.200901961 JN:ADVANCED MATERIALS PY:2010 TC:209 AU: Tokura, Yoshinori;Seki, Shinichiro;
7:5:16:2 Mechanism of interfacial magnetoelectric coupling in composite multiferroics
DOI:10.1103/PhysRevB.90.054423 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Jia, C. -L.;Wei, T. -L.;Jiang, C. -J.;Xue, D. -S.;Sukhov, A.;Berakdar, J.;
7:5:16:3 Thermoelectric effect of multiferroic oxide interfaces
DOI:10.1063/1.3549863 JN:APPLIED PHYSICS LETTERS PY:2011 TC:5 AU: Jia, Chenglong;Berakdar, Jamal;
7:5:16:4 Anisotropic thermoelectric effect in helimagnetic tunnel junctions
DOI:10.1063/1.3590269 JN:APPLIED PHYSICS LETTERS PY:2011 TC:8 AU: Jia, Chenglong;Berakdar, Jamal;
7:5:16:5 Tunable anisotropic magnetoelectric effect in helimagnetic tunnel junctions with interface Rashba spin-orbit interaction
DOI:10.1063/1.4816756 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Wang, Yan;Zhang, Ning;Berakdar, Jamal;Jia, Chenglong;
7:5:16:6 Tunneling anisotropic magnetoresistance of helimagnet tunnel junctions
DOI:10.1103/PhysRevB.81.052406 JN:PHYSICAL REVIEW B PY:2010 TC:10 AU: Jia, Chenglong;Berakdar, Jamal;
7:5:16:7 Magnetoelectric responses induced by domain rearrangement and spin structural change in triangular-lattice helimagnets NiI2 and CoI2
DOI:10.1103/PhysRevB.87.014429 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Kurumaji, T.;Seki, S.;Ishiwata, S.;Murakawa, H.;Kaneko, Y.;Tokura, Y.;
7:5:16:8 Coupling of Magnetic and Ferroelectric Hysteresis by a Multicomponent Magnetic Structure in Mn2GeO4
DOI:10.1103/PhysRevLett.108.077204 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:7 AU: White, J. S.;Honda, T.;Kimura, K.;Kimura, T.;Niedermayer, Ch.;Zaharko, O.;Poole, A.;Roessli, B.;Kenzelmann, M.;
7:5:16:9 Magnetic Biasing of a Ferroelectric Hysteresis Loop in a Multiferroic Orthoferrite
DOI:10.1103/PhysRevLett.112.037203 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:1 AU: Tokunaga, Y.;Taguchi, Y.;Arima, T.;Tokura, Y.;
7:5:16:10 Multiferroicity in NiBr2 with long-wavelength cycloidal spin structure on a triangular lattice
DOI:10.1103/PhysRevB.84.060406 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Tokunaga, Y.;Okuyama, D.;Kurumaji, T.;Arima, T.;Nakao, H.;Murakami, Y.;Taguchi, Y.;Tokura, Y.;
7:5:16:11 Spin transmission control in helical magnetic fields
DOI:10.1103/PhysRevB.86.165407 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Saarikoski, Henri;Dollinger, Tobias;Richter, Klaus;
7:5:16:12 Magnetic anisotropy and magnetodielectric coefficients in Cr2O3 and Fe0.4Cr1.6O3
DOI:10.1016/j.jallcom.2014.06.038 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:1 AU: Banerjee, I.;Kim, Hyungsuk K. D.;Pisani, D.;Mohanchandra, K. P.;Carman, Gregory P.;
7:5:17:1 Multiferroic behavior of lanthanum orthoferrite (LaFeO3)
DOI:10.1016/j.matlet.2009.11.037 JN:MATERIALS LETTERS PY:2010 TC:41 AU: Acharya, S.;Mondal, J.;Ghosh, S.;Roy, S. K.;Chakrabarti, P. K.;
7:5:17:2 Origin of colossal dielectric response in LaFeO3
DOI:10.1016/j.actamat.2010.10.066 JN:ACTA MATERIALIA PY:2011 TC:40 AU: Idrees, M.;Nadeem, M.;Atif, M.;Siddique, M.;Mehmood, M.;Hassan, M. M.;
7:5:17:3 High pressure treated ZnO ceramics towards giant dielectric constants
DOI:10.1039/c4ta03434a JN:JOURNAL OF MATERIALS CHEMISTRY A PY:2014 TC:3 AU: Li, Xuhai;Xu, Liang;Liu, Lixin;Wang, Yuan;Cao, Xiuxia;Huang, Yuanjie;Meng, Chuanmin;Wang, Zhigang;
7:5:17:4 Small polaronic hole hopping mechanism and Maxwell-Wagner relaxation in NdFeO3
DOI:10.1063/1.4754866 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:14 AU: Ahmad, I.;Akhtar, M. J.;Younas, M.;Siddique, M.;Hasan, M. M.;
7:5:17:5 Electric transport through perovskite La(Fe, Ga)O-3 nanowires formed by electrospinning
DOI:10.1063/1.4897992 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Moon, Taeho;Lee, Won-Yong;Choi, Chel-Jong;Yoon, Jong-Won;
7:5:17:6 Impedance spectroscopic investigation of electro active regions, conduction mechanism and origin of colossal dielectric constant in Nd1-xSrxFeO3 (0.1 <= x <= 0.5)
DOI:10.1016/j.materresbull.2014.08.046 JN:MATERIALS RESEARCH BULLETIN PY:2014 TC:1 AU: Ahmad, I.;Akhtar, M. J.;Hasan, M. M.;
7:5:17:7 Dielectric relaxation with polaronic and variable range hopping mechanisms of grains and grain boundaries in Pr0.8Ca0.2MnO3
DOI:10.1063/1.4767366 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Shah, Matiullah;Nadeem, M.;Atif, M.;
7:5:17:8 Jahn-Teller assisted polaronic hole hopping as a charge transport mechanism in CuO nanograins
DOI:10.1063/1.3702465 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Younas, M.;Nadeem, M.;Idrees, M.;Akhtar, M. J.;
7:5:17:9 Change of Mott variable range to small polaronic hole hopping conduction mechanism and formation of Schottky barriers in Nd0.9Sr0.1FeO3
DOI:10.1063/1.4813782 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Ahmad, I.;Akhtar, M. J.;Khan, R. T. A.;Hasan, M. M.;
7:5:17:10 Physics of the multi-functionality of lanthanum ferrite ceramics
DOI:10.1063/1.4879899 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Bhargav, K. K.;Ram, S.;Majumder, S. B.;
7:5:17:11 Multiferroic behavior, enhanced magnetization and exchange bias effect of Zn substituted nanocrystalline LaFeO3 (La(1-x)ZnxFeO3, x=0.10, and 0.30)
DOI:10.1016/j.jmmm.2012.09.063 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:15 AU: Mukhopadhyay, K.;Mahapatra, A. S.;Chakrabarti, P. K.;
7:5:17:12 Enhanced magnetic behavior of Al substituted LaFeO3 (La((1-x))A1(x)FeO(3), x=0.10 and 0.30)
DOI:10.1016/j.matlet.2011.01.049 JN:MATERIALS LETTERS PY:2011 TC:10 AU: Acharya, S.;Deb, A. K.;Das, D.;Chakrabarti, P. K.;
7:5:17:13 Metal-insulator transition in ZnO nanopowder during thermal cycling by impedance spectroscopy
DOI:10.1063/1.3431298 JN:APPLIED PHYSICS LETTERS PY:2010 TC:6 AU: Nadeem, M.;Farooq, Amina;Shin, T. J.;
7:5:17:14 Dielectric relaxation of Y1-xRxFeO3 (R = Dy, Er, x=0, 0.5)
DOI:10.1016/j.jallcom.2013.03.120 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:1 AU: Das, Indrani;Chanda, Sadhan;Dutta, Alo;Banerjee, Sourish;Sinha, T. P.;
7:5:17:15 Polaronic relaxation in LaFeO3
DOI:10.1016/j.matlet.2012.08.079 JN:MATERIALS LETTERS PY:2012 TC:7 AU: Chen, C.;Xu, K. B.;Cui, Y. M.;Wang, C. C.;
7:5:17:16 Dielectric relaxation of samarium aluminate
DOI:10.1007/s00339-013-7766-4 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2014 TC:4 AU: Sakhya, Anup Pradhan;Dutta, Alo;Sinha, T. P.;
7:5:17:17 Origin of anomalous octahedral distortions and collapse of magnetic ordering in Nd1-xSrxFeO3 (0 <= x <= 0.5)
DOI:10.1016/j.ceramint.2013.04.084 JN:CERAMICS INTERNATIONAL PY:2013 TC:2 AU: Ahmad, I.;Akhtar, M. J.;Siddique, M.;Iqbal, M.;Hasan, M. M.;
7:5:17:18 The colossal dielectric properties of FeNbO4
DOI:10.1016/j.jallcom.2014.07.104 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:0 AU: Li, Q. J.;Xia, S. Q.;Wang, X. Y.;Xia, W.;Yu, Y.;Cui, Y. M.;Zhang, J.;Zheng, J.;Cheng, C.;Li, Y. D.;Wang, H.;Huang, S. G.;Wang, C. C.;
7:5:17:19 Mossbauer studies and magnetic studies of Ni doped orthoferrites PrFe1-xNixO3 (x <= 0.3)
DOI:10.1016/j.jmmm.2010.03.024 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:7 AU: Makhdoomi, Abida Bashir;Ikram, M.;Kumar, Ravi;
7:5:17:20 Influence of technological factors on conductivity and dielectric dispersion in ZnO nanocrystalline thin films
DOI:10.1016/j.jallcom.2012.02.169 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:2 AU: Kapustianyk, V.;Eliyashevskyy, Yu;Turko, B.;Czapla, Z.;Dacko, S.;Barwinski, B.;
7:5:17:21 Spin state transition and giant dielectric constant in Pr0.987Na0.013CoO3
DOI:10.1063/1.3701613 JN:APPLIED PHYSICS LETTERS PY:2012 TC:2 AU: Wang, Heng;Li, Guangshe;Zhao, Minglei;Li, Liping;
7:5:17:22 Microstructure and Magnetic Properties of Metastable RFeO3 (R: Rare-earth element) Formed from Undercooled Melt
DOI:10.1111/jace.12127 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:1 AU: Kumar, Malahalli Vijaya;Kuribayashi, Kazuhiko;Yu, Jianding;Okada, Junpei T.;Ishikawa, Takehiko;
7:5:17:23 Synthesis, structural characterization and Mossbauer study of LnV(0.5)Fe(0.5)O(3) perovskites (Ln = Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho and Er)
DOI:10.1016/j.materresbull.2012.05.055 JN:MATERIALS RESEARCH BULLETIN PY:2012 TC:0 AU: Ivashita, Flavio F.;Biondo, Valdecir;Bellini, Jusmar V.;Paesano, Andrea, Jr.;Cecilia Blanco, M.;Fuertes, Valeria C.;Pannunzio-Miner, Elisa V.;Carbonio, Raul E.;
7:5:17:24 Dielectric and electrical studies of Pr3+ doped nano CaSiO3 perovskite ceramics
DOI:10.1016/j.materresbull.2013.10.029 JN:MATERIALS RESEARCH BULLETIN PY:2014 TC:4 AU: Kulkarni, Sandhya;Nagabhushana, B. M.;Parvatikar, Narsimha;Koppalkar, Anilkumar;Shivakumara, C.;Damle, R.;
7:5:18:1 Dzyaloshinskii-Moriya driven helical-butterfly structure in Ba3NbFe3Si2O14
DOI:10.1103/PhysRevB.88.104417 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Scagnoli, V.;Huang, S. W.;Garganourakis, M.;de Souza, R. A.;Staub, U.;Simonet, V.;Lejay, P.;Ballou, R.;
7:5:18:2 Role of Antisymmetric Exchange in Selecting Magnetic Chirality in Ba3NbFe3Si2O14
DOI:10.1103/PhysRevLett.107.257203 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:11 AU: Zorko, A.;Pregelj, M.;Potocnik, A.;van Tol, J.;Ozarowski, A.;Simonet, V.;Lejay, P.;Petit, S.;Ballou, R.;
7:5:18:3 Magnetic and dielectric properties in the langasite-type compounds: A(3)BFe(3)D(2)O(14) (A = Ba, Sr, Ca; B = Ta, Nb, Sb; D = Ge, Si)
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7:5:18:4 Magnetic control of ferroelectric polarization in a self-formed single magnetoelectric domain of multiferroic Ba3NbFe3Si2O14
DOI:10.1063/1.4866187 JN:APPLIED PHYSICS LETTERS PY:2014 TC:3 AU: Lee, Nara;Choi, Young Jai;Cheong, Sang-Wook;
7:5:18:5 Parity-Broken Chiral Spin Dynamics in Ba3NbFe3Si2O14
DOI:10.1103/PhysRevLett.106.207201 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:17 AU: Loire, M.;Simonet, V.;Petit, S.;Marty, K.;Bordet, P.;Lejay, P.;Ollivier, J.;Enderle, M.;Steffens, P.;Ressouche, E.;Zorko, A.;Ballou, R.;
7:5:18:6 Helical spin waves, magnetic order, and fluctuations in the langasite compound Ba3NbFe3Si2O14
DOI:10.1103/PhysRevB.83.104426 JN:PHYSICAL REVIEW B PY:2011 TC:14 AU: Stock, C.;Chapon, L. C.;Schneidewind, A.;Su, Y.;Radaelli, P. G.;McMorrow, D. F.;Bombardi, A.;Lee, N.;Cheong, S. -W.;
7:5:18:7 THz Magnetoelectric Atomic Rotations in the Chiral Compound Ba3NbFe3Si2O14
DOI:10.1103/PhysRevLett.110.157208 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:4 AU: Chaix, L.;de Brion, S.;Levy-Bertrand, F.;Simonet, V.;Ballou, R.;Canals, B.;Lejay, P.;Brubach, J. B.;Creff, G.;Willaert, F.;Roy, P.;Cano, A.;
7:5:18:8 Pb3TeCo3V2O14: A Potential Multiferroic Co Bearing Member of the Dugganite Series
DOI:10.1021/cm202502p JN:CHEMISTRY OF MATERIALS PY:2012 TC:6 AU: Silverstein, H. J.;Cruz-Kan, K.;Hallas, A. M.;Zhou, H. D.;Donaberger, R. L.;Hernden, B. C.;Bieringer, M.;Choi, E. S.;Hwang, J. M.;Wills, A. S.;Wiebe, C. R.;
7:5:18:9 Chiral spin-wave excitations of the spin-5/2 trimers in the langasite compound Ba3NbFe3Si2O14
DOI:10.1103/PhysRevB.84.104405 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Jensen, Jens;
7:5:18:10 Phenomenological model of multiferroic properties in langasite-type crystals with a triangular magnetic lattice
DOI:10.1103/PhysRevB.86.064414 JN:PHYSICAL REVIEW B PY:2012 TC:7 AU: Pikin, S. A.;Lyubutin, I. S.;
7:5:18:11 Theoretical Investigation of the Magnetic Structure and Ferroelectric Polarization of the Multiferroic Langasite Ba3NbFe3Si2O14
DOI:10.1021/cm101441p JN:CHEMISTRY OF MATERIALS PY:2010 TC:10 AU: Lee, Changhoon;Kan, Erjun;Xiang, Hongjun;Whangbo, Myung-Hwan;
7:5:18:12 Inter- and intratrimer excitations in the multiferroic Ba3NbFe3Si2O14
DOI:10.1103/PhysRevB.82.132408 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Zhou, H. D.;Barlas, Y.;Wiebe, C. R.;Qiu, Y.;Copley, J. R. D.;Gardner, J. S.;
7:5:18:13 The magnetic P-T phase diagram of langasite Ba3TaFe3Si2O14 at high hydrostatic pressures up to 38 GPa
DOI:10.1063/1.4822422 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Gavriliuk, A. G.;Lyubutin, I. S.;Starchikov, S. S.;Mironovich, A. A.;Ovchinnikov, S. G.;Trojan, I. A.;Xiao, Yuming;Chow, Paul;Sinogeikin, S. V.;Struzhkin, V. V.;
7:5:18:14 Structural and magnetic properties of the iron-containing langasite family A(3)MFe(3)X(2)O(14) (A = Ba, Sr; M = Sb, Nb, Ta; X = Si, Ge) observed by Mossbauer spectroscopy
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7:5:18:15 Low temperature dielectric dispersion and relaxor like behavior in multiferroic Ba3NbFe3Si2O14
DOI:10.1063/1.3699198 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Rathore, Satyapal Singh;Mishra, S. K.;Vitta, Satish;
7:5:18:16 CRYSTALLOGRAPHY Let's do the twist
DOI:10.1038/nmat3019 JN:NATURE MATERIALS PY:2011 TC:1 AU: Fiebig, Manfred;
7:5:18:17 Source of magnetic anisotropy in quasi-two-dimensional XY {Cu-4(tetrenH(5))W(CN)(8)](4).7.2H(2)O)}(n) bilayer molecular magnet
DOI:10.1103/PhysRevB.87.024406 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Zaharko, O.;Pregelj, M.;Zorko, A.;Podgajny, R.;Gukasov, A.;van Tol, J.;Klokishner, S. I.;Ostrovsky, S.;Delley, B.;
7:5:18:18 Pb3TeCo3V2O14: A Potential Multiferroic Co Bearing Member of the Dugganite Series (vol 24, pg 664, 2012)
DOI:10.1021/cm300618x JN:CHEMISTRY OF MATERIALS PY:2012 TC:0 AU: Silverstein, H. J.;Cruz-Kan, K.;Hallas, A. M.;Zhou, H. D.;Donaberger, R. L.;Hernden, B. C.;Bieringer, M.;Choi, E. S.;Hwang, J. M.;Wills, A. S.;Wiebe, C. R.;
7:5:18:19 Insulator-Metal Transition in Highly Compressed NiO
DOI:10.1103/PhysRevLett.109.086402 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:4 AU: Gavriliuk, Alexander G.;Trojan, Ivan A.;Struzhkin, Viktor V.;
7:5:19:1 Induced Magnetoelectric Response in Pnma Perovskites
DOI:10.1103/PhysRevLett.107.197603 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:16 AU: Bousquet, Eric;Spaldin, Nicola;
7:5:19:2 Unexpectedly Large Electronic Contribution to Linear Magnetoelectricity
DOI:10.1103/PhysRevLett.106.107202 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:13 AU: Bousquet, Eric;Spaldin, Nicola A.;Delaney, Kris T.;
7:5:19:3 Manipulation of magnetic field on dielectric constant and electric polarization in Cr2WO6
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7:5:19:4 Temperature-Dependent Magnetoelectric Effect from First Principles
DOI:10.1103/PhysRevLett.105.087202 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:24 AU: Mostovoy, Maxim;Scaramucci, Andrea;Spaldin, Nicola A.;Delaney, Kris T.;
7:5:19:5 J dependence in the LSDA plus U treatment of noncollinear magnets
DOI:10.1103/PhysRevB.82.220402 JN:PHYSICAL REVIEW B PY:2010 TC:14 AU: Bousquet, Eric;Spaldin, Nicola;
7:5:19:6 Full magnetoelectric response of Cr2O3 from first principles
DOI:10.1103/PhysRevB.86.094430 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Malashevich, Andrei;Coh, Sinisa;Souza, Ivo;Vanderbilt, David;
7:5:19:7 Linear Magnetoelectric Effect by Orbital Magnetism
DOI:10.1103/PhysRevLett.109.197203 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:7 AU: Scaramucci, A.;Bousquet, E.;Fechner, M.;Mostovoy, M.;Spaldin, N. A.;
7:5:19:8 Magnetoelectric hysteresis loops in Cr2O3 at room temperature
DOI:10.1103/PhysRevB.87.180408 JN:PHYSICAL REVIEW B PY:2013 TC:8 AU: Iyama, Ayato;Kimura, Tsuyoshi;
7:5:19:9 Zone-center dynamical matrix in magnetoelectrics
DOI:10.1103/PhysRevB.84.214428 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Resta, R.;
7:5:19:10 First-principles microscopic model of exchange-driven magnetoelectric response with application to Cr2O3
DOI:10.1103/PhysRevB.89.174413 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Mu, Sai;Wysocki, A. L.;Belashchenko, K. D.;
7:5:19:11 Lyddane-Sachs-Teller Relationship in Linear Magnetoelectrics
DOI:10.1103/PhysRevLett.106.047202 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:6 AU: Resta, Raffaele;
7:5:19:12 Monopole-based formalism for the diagonal magnetoelectric response
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7:5:19:13 Density-operator theory of orbital magnetic susceptibility in periodic insulators
DOI:10.1103/PhysRevB.84.064445 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Gonze, X.;Zwanziger, J. W.;
7:5:19:14 Magnetic field generated by a charge in a uniaxial magnetoelectric material
DOI:10.1103/PhysRevB.89.184415 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Fechner, M.;Spaldin, N. A.;Dzyaloshinskii, I. E.;
7:5:19:15 Dynamical magnetic charges and linear magnetoelectricity
DOI:10.1103/PhysRevB.89.064301 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Ye, Meng;Vanderbilt, David;
7:5:19:16 Instability in Magnetic Materials with a Dynamical Axion Field
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7:5:19:17 Orbital Magnetization as a Local Property
DOI:10.1103/PhysRevLett.110.087202 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:4 AU: Bianco, Raffaello;Resta, Raffaele;
7:5:19:18 Magnetic anisotropy in Li-phosphates and origin of magnetoelectricity in LiNiPO4
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7:5:19:19 Linear response of crystals to electromagnetic fields: Microscopic charge-current density, polarization, and magnetization
DOI:10.1103/PhysRevB.90.125115 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Swiecicki, Sylvia D.;Sipe, J. E.;
7:5:19:20 Pressure-induced magnetic phase transition in Cr2O3 determined by second harmonic generation measurements
DOI:10.1063/1.4804424 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Bayarjargal, Lkhamsuren;Winkler, Bjoern;
7:5:19:21 Full magnetoelectric response of Cr2O3 from first principles (vol 86, 094430, 2012)
DOI:10.1103/PhysRevB.87.139904 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Malashevich, Andrei;Coh, Sinisa;Souza, Ivo;Vanderbilt, David;
7:5:19:22 Dynamical magnetic charges and linear magnetoelectricity (vol 89, 064301, 2014)
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7:5:20:1 Pressure-induced polar phases in multiferroic delafossite CuFeO2
DOI:10.1103/PhysRevB.89.220403 JN:PHYSICAL REVIEW B PY:2014 TC:2 AU: Terada, Noriki;Khalyavin, Dmitry D.;Manuel, Pascal;Osakabe, Toyotaka;Radaelli, Paolo G.;Kitazawa, Hideaki;
7:5:20:2 Canted-spin-caused electric dipoles: A local symmetry theory
DOI:10.1103/PhysRevB.83.174432 JN:PHYSICAL REVIEW B PY:2011 TC:16 AU: Kaplan, T. A.;Mahanti, S. D.;
7:5:20:3 Electric Field Control of the Magnetic Chiralities in Ferroaxial Multiferroic RbFe(MoO4)(2)
DOI:10.1103/PhysRevLett.108.237201 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:13 AU: Hearmon, Alexander J.;Fabrizi, Federica;Chapon, Laurent C.;Johnson, R. D.;Prabhakaran, Dharmalingam;Streltsov, Sergey V.;Brown, P. J.;Radaelli, Paolo G.;
7:5:20:4 Cu3Nb2O8: A Multiferroic with Chiral Coupling to the Crystal Structure
DOI:10.1103/PhysRevLett.107.137205 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:16 AU: Johnson, R. D.;Nair, Sunil;Chapon, L. C.;Bombardi, A.;Vecchini, C.;Prabhakaran, D.;Boothroyd, A. T.;Radaelli, P. G.;
7:5:20:5 Experimental Realization of a Unique Class of Compounds: XY-Antiferromagnetic Triangular Lattices, KAg2Fe[VO4](2) and RbAg2Fe[VO4](2), with Ferroelectric Ground States
DOI:10.1021/cm5025712 JN:CHEMISTRY OF MATERIALS PY:2014 TC:3 AU: Amuneke, Ngozi E.;Tapp, Joshua;de la Cruz, Clarina R.;Moeller, Angela;
7:5:20:6 Multiferroicity in the generic easy-plane triangular lattice antiferromagnet RbFe(MoO4)(2)
DOI:10.1103/PhysRevB.88.060409 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: White, J. S.;Niedermayer, Ch.;Gasparovic, G.;Broholm, C.;Park, J. M. S.;Shapiro, A. Ya.;Demianets, L. A.;Kenzelmann, M.;
7:5:20:7 Magnetic and ferroelectric orderings in multiferroic alpha-NaFeO2
DOI:10.1103/PhysRevB.89.184421 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Terada, Noriki;Khalyavin, Dmitry D.;Perez-Mato, Juan M.;Manuel, Pascal;Prabhakaran, Dharmalingam;Daoud-Aladine, Aziz;Radaelli, Paolo G.;Suzuki, Hiroyuki S.;Kitazawa, Hideaki;
7:5:20:8 Spiral-Spin-Driven Ferroelectricity in a Multiferroic Delafossite AgFeO2
DOI:10.1103/PhysRevLett.109.097203 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:11 AU: Terada, Noriki;Khalyavin, Dmitry D.;Manuel, Pascal;Tsujimoto, Yoshihiro;Knight, Kevin;Radaelli, Paolo G.;Suzuki, Hiroyuki S.;Kitazawa, Hideaki;
7:5:20:9 First-principles study of multiferroic RbFe(MoO4)(2)
DOI:10.1103/PhysRevB.90.024402 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Cao, Kun;Johnson, R. D.;Giustino, Feliciano;Radaelli, Paolo G.;Guo, G-C.;He, Lixin;
7:5:20:10 Electromagnon excitations in canted-spin multiferroics
DOI:10.1063/1.4812346 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Chen, Hong-Bo;Li, You-Quan;
7:5:20:11 MnSb2O6: A Polar Magnet with a Chiral Crystal Structure
DOI:10.1103/PhysRevLett.111.017202 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:1 AU: Johnson, R. D.;Cao, K.;Chapon, L. C.;Fabrizi, F.;Perks, N.;Manuel, P.;Yang, J. J.;Oh, Y. S.;Cheong, S. -W.;Radaelli, P. G.;
7:5:20:12 High-pressure suppression of long-range magnetic order in the triangular-lattice antiferromagnet CuFeO2
DOI:10.1103/PhysRevB.83.020403 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Terada, N.;Osakabe, T.;Kitazawa, H.;
7:5:20:13 Effect of high pressure on the crystal structure, magnetic, and vibrational properties of multiferroic RbFe(MoO4)(2)
DOI:10.1103/PhysRevB.87.014112 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Kozlenko, D. P.;Kichanov, S. E.;Lukin, E. V.;Dang, N. T.;Dubrovinsky, L. S.;Bykova, E. A.;Kamenev, K. V.;Liermann, H. -P.;Morgenroth, W.;Shapiro, A. Ya.;Savenko, B. N.;
7:5:20:14 The phase transitions in CsFe(MoO4)(2) triangular lattice antiferromagnet, neutron diffraction and high pressure studies
DOI:10.1016/j.jallcom.2014.04.049 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Gagor, Anna;Zajdel, Pawel;Toebbens, Daniel;
7:5:20:15 Uniaxial-pressure control of geometrical spin frustration in an Ising antiferromagnet CoNb2O6 via anisotropic deformation of the isosceles lattice
DOI:10.1103/PhysRevB.90.060412 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Kobayashi, S.;Hosaka, S.;Tamatsukuri, H.;Nakajima, T.;Mitsuda, S.;Prokes, K.;Kiefer, K.;
7:5:20:16 Ag3Fe(VO4)(2) and AgFeV2O7: Synthesis, Structure, and Electrochemical Characteristics of Two New Silver Iron(III) Vanadates
DOI:10.1021/cm9024342 JN:CHEMISTRY OF MATERIALS PY:2010 TC:7 AU: Becht, Gregory A.;Vaughey, John T.;Hwu, Shiou-Jyh;
7:5:20:17 Dielectric and Magnetic Properties of Magnetoelectric Delafossites
DOI:10.1080/00150193.2012.746888 JN:FERROELECTRICS PY:2012 TC:1 AU: Ter-Oganessian, N. V.;
7:5:20:18 Spin-Chirality-Driven Ferroelectricity on a Perfect Triangular Lattice Antiferromagnet
DOI:10.1103/PhysRevLett.113.147202 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Mitamura, H.;Watanuki, R.;Kaneko, K.;Onozaki, N.;Amou, Y.;Kittaka, S.;Kobayashi, R.;Shimura, Y.;Yamamoto, I.;Suzuki, K.;Chi, S.;Sakakibara, T.;
7:5:21:1 Mapping the Magnetostructural Quantum Phases of Mn3O4
DOI:10.1103/PhysRevLett.104.136402 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:33 AU: Kim, M.;Chen, X. M.;Joe, Y. I.;Fradkin, E.;Abbamonte, P.;Cooper, S. L.;
7:5:21:2 Electrochemical Synthesis and Nonvolatile Resistance Switching of Mn3O4 Thin Films
DOI:10.1021/cm5014027 JN:CHEMISTRY OF MATERIALS PY:2014 TC:2 AU: Koza, Jakub A.;Schroen, Ian P.;Willmering, Matthew M.;Switzer, Jay A.;
7:5:21:3 The ac-magnetic susceptibility and dielectric response of complex spin ordering processes in Mn3O4
DOI:10.1063/1.4895054 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Thota, Subhash;Singh, Kiran;Nayak, Sanjib;Simon, Ch.;Kumar, Jitendra;Prellier, Wilfrid;
7:5:21:4 Pressure and field tuning the magnetostructural phases of Mn3O4: Raman scattering and x-ray diffraction studies
DOI:10.1103/PhysRevB.84.174424 JN:PHYSICAL REVIEW B PY:2011 TC:17 AU: Kim, M.;Chen, X. M.;Wang, X.;Nelson, C. S.;Budakian, R.;Abbamonte, P.;Cooper, S. L.;
7:5:21:5 Magnetic transitions in Mn3O4 and an anomaly at 38 K in magnetization and specific heat
DOI:10.1103/PhysRevB.83.094423 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Guillou, F.;Thota, S.;Prellier, W.;Kumar, J.;Hardy, V.;
7:5:21:6 On the derivation of the magnetocaloric properties in ferrimagnetic spinel Mn3O4
DOI:10.1063/1.3549706 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Thota, Subhash;Guillou, Francois;Hardy, Vincent;Wahl, Alexandre;Prellier, Wilfrid;Kumar, Jitendra;
7:5:21:7 Magnetic properties of Mn3O4 film with a coexistence of two preferential orientations
DOI:10.1063/1.4889819 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Ren, Lizhu;Zhou, Wenqi;Wang, Yunjia;Meng, Meng;Wu, Shuxiang;Li, Shuwei;
7:5:21:8 Interplay among spin, orbital, and lattice degrees of freedom in a frustrated spinel Mn3O4
DOI:10.1103/PhysRevB.87.195115 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Nii, Y.;Sagayama, H.;Umetsu, H.;Abe, N.;Taniguchi, K.;Arima, T.;
7:5:21:9 Magnetic properties of Mn3O4 film under compressive stress grown on MgAl2O4 (001) by molecular beam epitaxy
DOI:10.1063/1.4817283 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Ren, Lizhu;Wu, Shuxiang;Yang, Mei;Zhou, Wenqi;Li, Shuwei;
7:5:21:10 Structural, optical, and magnetic properties of single-crystalline Mn3O4 nanowires
DOI:10.1007/s11051-012-1138-4 JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2012 TC:5 AU: Sambasivam, S.;Li, G. J.;Jeong, J. H.;Choi, B. C.;Lim, K. T.;Kim, S. S.;Song, T. K.;
7:5:21:11 Formation and magnetic behaviour of manganese oxide nanoparticles
DOI:10.1016/j.mseb.2010.01.049 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2010 TC:23 AU: Thota, Subhash;Prasad, Bhagwati;Kumar, Jitendra;
7:5:21:12 Spin state of Mn3O4 investigated by Mn-55 nuclear magnetic resonance
DOI:10.1103/PhysRevB.84.174423 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Jo, Euna;An, Kyongmo;Shim, Jeong Hyun;Kim, Changsoo;Lee, Soonchil;
7:5:21:13 Structural change and phase coexistence upon magnetic ordering in the magnetodielectric spinel Mn3O4
DOI:10.1103/PhysRevB.90.064418 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Kemei, Moureen C.;Harada, Jaye K.;Seshadri, Ram;Suchomel, Matthew R.;
7:5:21:14 Epitaxial growth of manganese oxide films on MgAl2O4 (001) substrates and the possible mechanism
DOI:10.1016/j.jcrysgro.2013.11.085 JN:JOURNAL OF CRYSTAL GROWTH PY:2014 TC:2 AU: Ren, Lizhu;Wu, Shuxiang;Zhou, Wenqi;Li, Shuwei;
7:5:21:15 Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and Mn-55(3+) NMR
DOI:10.1103/PhysRevB.86.224420 JN:PHYSICAL REVIEW B PY:2012 TC:11 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;
7:5:21:16 Giant atomic displacement at a magnetic phase transition in metastable Mn3O4
DOI:10.1103/PhysRevB.87.014417 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Hirai, S.;dos Santos, A. M.;Shapiro, M. C.;Molaison, J. J.;Pradhan, N.;Guthrie, M.;Tulk, C. A.;Fisher, I. R.;Mao, W. L.;
7:5:21:17 Magnetization reversal of two-dimensional superlattices of Mn(3)O(4) nanocubes and their collective dipolar interaction effects
DOI:10.1063/1.3466983 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:6 AU: Chen, Weimeng;Chen, Chinping;Guo, Lin;
7:5:22:1 Size-Dependent Passivation Shell and Magnetic Properties in Antiferromagnetic/Ferrimagnetic Core/Shell MnO Nanoparticles
DOI:10.1021/ja1021798 JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2010 TC:46 AU: Lopez-Ortega, Alberto;Tobia, Dina;Winkler, Elin;Golosovsky, Igor V.;Salazar-Alvarez, German;Estrade, Sonia;Estrader, Marta;Sort, Jordi;Gonzalez, Miguel Angel;Surinach, Santiago;Arbiol, Jordi;Peiro, Francesca;Zysler, Roberto D.;Dolors Baro, Maria;Nogues, Josep;
7:5:22:2 Highly soluble multifunctional MnO nanoparticles for simultaneous optical and MRI imaging and cancer treatment using photodynamic therapy
DOI:10.1039/c0jm01465f JN:JOURNAL OF MATERIALS CHEMISTRY PY:2010 TC:33 AU: Schladt, Thomas D.;Schneider, Kerstin;Shukoor, M. Ibrahim;Natalio, Filipe;Bauer, Heiko;Tahir, M. Nawaz;Weber, Stefan;Schreiber, Laura M.;Schroeder, Heinz C.;Mueller, Werner E. G.;Tremel, Wolfgang;
7:5:22:3 Size and anisotropy effects on magnetic properties of antiferromagnetic nanoparticles
DOI:10.1016/j.jmmm.2009.08.045 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:31 AU: Wesselinowa, J. M.;
7:5:22:4 Spectroscopic Signature of the Superparamagnetic Transition and Surface Spin Disorder in CoFe2O4 Nanoparticles
DOI:10.1021/nn301276q JN:ACS NANO PY:2012 TC:9 AU: Sun, Qi-C.;Birkel, Christina S.;Cao, Jinbo;Tremel, Wolfgang;Musfeldt, Janice L.;
7:5:22:5 Antiferromagnetic order in MnO spherical nanoparticles
DOI:10.1103/PhysRevB.83.214418 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Wang, C. H.;Baker, S. N.;Lumsden, M. D.;Nagler, S. E.;Heller, W. T.;Baker, G. A.;Deen, P. D.;Cranswick, L. M. D.;Su, Y.;Christianson, A. D.;
7:5:22:6 Shell pressure on the core of MnO/Mn3O4 core/shell nanoparticles
DOI:10.1103/PhysRevB.87.224429 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Silva, N. J. O.;Karmaoui, M.;Amaral, V. S.;Puente-Orench, I.;Campo, J.;da Silva, I.;Ibarra, A.;Bustamante, R.;Millan, A.;Palacio, F.;
7:5:22:7 Experimental Determination of Ionicity in MnO Nanoparticles
DOI:10.1021/cm200582t JN:CHEMISTRY OF MATERIALS PY:2011 TC:10 AU: Sun, Qi-C.;Xu, Xiaoshan;Baker, Sheila N.;Christianson, Andrew D.;Musfeldt, Janice L.;
7:5:22:8 Elastic and magnetic effects on the infrared phonon spectra of MnF2
DOI:10.1103/PhysRevB.82.054412 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Schleck, R.;Nahas, Y.;Lobo, R. P. S. M.;Varignon, J.;Lepetit, M. B.;Nelson, C. S.;Moreira, R. L.;
7:5:22:9 Magnetoelastic coupling in bulk and nanoscale MnO
DOI:10.1103/PhysRevB.84.014301 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Sun, Q. -C.;Baker, S. N.;Christianson, A. D.;Musfeldt, J. L.;
7:5:22:10 Magnetic phase transition in confined MnO nanoparticles studied by polarized neutron scattering
DOI:10.1103/PhysRevB.81.064423 JN:PHYSICAL REVIEW B PY:2010 TC:4 AU: Feygenson, Mikhail;Schweika, Werner;Ioffe, Alexander;Vakhrushev, Sergey B.;Brueckel, Thomas;
7:5:22:11 Synthesis, characterization and functionalization of nearly mono-disperse copper ferrite CuxFe3-xO4 nanoparticles
DOI:10.1039/c0jm04577b JN:JOURNAL OF MATERIALS CHEMISTRY PY:2011 TC:7 AU: Nakhjavan, Bahar;Tahir, Muhammad Nawaz;Panthoefer, M.;Gao, Haitao;Schladt, Thomas D.;Gasi, Teuta;Ksenofontov, Vadim;Branscheid, Robert;Weber, Stefan;Kolb, Ute;Schreiber, Laura Maria;Tremel, Wolfgang;
7:5:22:12 Nanoparticles in Cancer Imaging and Therapy
DOI:10.1155/2012/891318 JN:JOURNAL OF NANOMATERIALS PY:2012 TC:6 AU: Smith, Leon;Kuncic, Zdenka;Ostrikov, Kostya (Ken);Kumar, Shailesh;
7:5:22:13 Facile synthesis of monodisperse MnO nanoparticles from bulk MnO
DOI:10.1016/j.jcrysgro.2011.10.022 JN:JOURNAL OF CRYSTAL GROWTH PY:2012 TC:2 AU: Lin, Chee-Cheng;Chen, Chih-Jung;Chiang, Ray-Kuang;
7:5:22:14 Structural morphology and magnetism of electroless-plated NiP films on a surface-modified Si substrate
DOI:10.1016/j.tsf.2011.09.025 JN:THIN SOLID FILMS PY:2011 TC:0 AU: Huang, Chun-Chao;Hsu, Hao-Chun;Tseng, Yuan-Chieh;
7:5:23:1 Tunable spin reorientation transition and magnetocaloric effect in Sm0.7-xLaxSr0.3MnO3 series
DOI:10.1063/1.4773337 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Aparnadevi, M.;Mahendiran, R.;
7:5:23:2 Exchange field on the rare earth Sm3+ in a single crystal perovskite SmMnO3
DOI:10.1103/PhysRevB.84.104415 JN:PHYSICAL REVIEW B PY:2011 TC:16 AU: Cheng, J-G;Zhou, J-S;Goodenough, J. B.;Su, Y. T.;Sui, Y.;Ren, Y.;
7:5:23:3 Magnetocapacitive effects in the Neel N-type ferrimagnet SmMnO3
DOI:10.1103/PhysRevB.82.212403 JN:PHYSICAL REVIEW B PY:2010 TC:17 AU: Jung, Jong-Suck;Iyama, Ayato;Nakamura, Hiroyuki;Mizumaki, Masaichiro;Kawamura, Naomi;Wakabayashi, Yusuke;Kimura, Tsuyoshi;
7:5:23:4 Magnetic coupling between Sm3+ and the canted spin in an antiferromagnetic SmFeO3 single crystal
DOI:10.1103/PhysRevB.86.064417 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Marshall, L. G.;Cheng, J. -G.;Zhou, J. -S.;Goodenough, J. B.;Yan, J. -Q.;Mandrus, D. G.;
7:5:23:5 Multiferroic properties and magnetic structure of Sm1-xYxMnO3
DOI:10.1103/PhysRevB.83.174426 JN:PHYSICAL REVIEW B PY:2011 TC:12 AU: O'Flynn, D.;Tomy, C. V.;Lees, M. R.;Daoud-Aladine, A.;Balakrishnan, G.;
7:5:23:6 Lattice distortion accompanied by magnetization reversal in A-type antiferromagnetic manganites
DOI:10.1103/PhysRevB.85.174414 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Jung, Jong-Suck;Iyama, Ayato;Nakamura, Hiroyuki;Wakabayashi, Yusuke;Kimura, Tsuyoshi;
7:5:23:7 Alternating current magnetotransport in Sm0.1La0.6Sr0.3MnO3
DOI:10.1063/1.4789408 JN:AIP ADVANCES PY:2013 TC:0 AU: Aparnadevi, M.;Mahendiran, R.;
7:5:23:8 Strong 4f electron interaction and magnetic ordering modification in Nd1-xErxMnO3 (0 <= x <= 0.5)
DOI:10.1063/1.3659897 JN:APPLIED PHYSICS LETTERS PY:2011 TC:6 AU: Hong, Fang;Cheng, Zhenxiang;Wang, Xiaolin;
7:5:23:9 Electrical detection of spin reorientation transition in ferromagnetic La0.4Sm0.3Sr0.3MnO3
DOI:10.1063/1.4797471 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Aparnadevi, M.;Mahendiran, R.;
7:5:23:10 Competition between the crystal field and the exchange field in Er3+ doped NdMnO3
DOI:10.1063/1.4754613 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Hong, Fang;Cheng, Zhenxiang;Wang, Xiaolin;Dou, Shixue;
7:5:23:11 Critical behavior of the paramagnetic to antiferromagnetic transition in orthorhombic and hexagonal phases of RMnO3 (R = Sm, Tb, Dy, Ho, Er, Tm, Yb, Lu, Y)
DOI:10.1103/PhysRevB.85.184425 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Oleaga, A.;Salazar, A.;Prabhakaran, D.;Cheng, J. -G.;Zhou, J. -S.;
7:5:23:12 Complex ferromagnetic-antiferromagnetic phase transition and glass-like arrest of kinetics in Sm1-xBaxCrO3 (x=0 and 0.1)
DOI:10.1063/1.4876488 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:3 AU: Qian, X. L.;Deng, D. M.;Jin, Y.;Lu, B.;Cao, S. X.;Zhang, J. C.;
7:5:23:13 Magnetic properties of mechanically activated SmMnO3 powders
DOI:10.1007/s10853-013-7585-1 JN:JOURNAL OF MATERIALS SCIENCE PY:2013 TC:2 AU: Uporov, S. A.;Mitrofanov, V. Ya.;Fedorova, O. M.;Fishman, A. Ya.;
7:5:23:14 Influence of length and measurement geometry on magnetoimpedance in La0.7Sr0.3MnO3
DOI:10.1063/1.3293292 JN:APPLIED PHYSICS LETTERS PY:2010 TC:7 AU: Rebello, A.;Mahendiran, R.;
7:5:23:15 Theory of the ac Spin-Valve Effect
DOI:10.1103/PhysRevLett.107.176604 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:4 AU: Kochan, Denis;Gmitra, Martin;Fabian, Jaroslav;
7:5:24:1 Spin-spiral inhomogeneity as the origin of ferroelectric activity in orthorhombic manganites
DOI:10.1103/PhysRevB.83.054404 JN:PHYSICAL REVIEW B PY:2011 TC:14 AU: Solovyev, I. V.;
7:5:24:2 Orbital magnetization of insulating perovskite transition-metal oxides with a net ferromagnetic moment in the ground state
DOI:10.1103/PhysRevB.89.064428 JN:PHYSICAL REVIEW B PY:2014 TC:2 AU: Nikolaev, S. A.;Solovyev, I. V.;
7:5:24:3 Magnetic-field control of the electric polarization in BiMnO3
DOI:10.1103/PhysRevB.82.094425 JN:PHYSICAL REVIEW B PY:2010 TC:20 AU: Solovyev, I. V.;Pchelkina, Z. V.;
7:5:24:4 Double-exchange theory of ferroelectric polarization in orthorhombic manganites with twofold periodic magnetic texture
DOI:10.1103/PhysRevB.87.144424 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Solovyev, I. V.;Nikolaev, S. A.;
7:5:24:5 Self-consistent linear response for the spin-orbit interaction related properties
DOI:10.1103/PhysRevB.90.024417 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Solovyev, I. V.;
7:5:24:6 Ferroelectricity due to Orbital Ordering in E-Type Undoped Rare-Earth Manganites
DOI:10.1103/PhysRevLett.106.077201 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:14 AU: Barone, Paolo;Yamauchi, Kunihiko;Picozzi, Silvia;
7:5:24:7 Magnetic structure and ferroelectric activity in orthorhombic YMnO3: Relative roles of magnetic symmetry breaking and atomic displacements
DOI:10.1103/PhysRevB.86.144406 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Solovyev, I. V.;Valentyuk, M. V.;Mazurenko, V. V.;
7:5:24:8 Buckling-induced Zener polaron instability in half-doped manganites
DOI:10.1103/PhysRevB.83.233103 JN:PHYSICAL REVIEW B PY:2011 TC:11 AU: Barone, Paolo;Picozzi, Silvia;van den Brink, Jeroen;
7:5:24:9 Ferroelectricity induced by cooperative orbital ordering and Peierls instability
DOI:10.1103/PhysRevB.85.214101 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Barone, Paolo;Picozzi, Silvia;
7:5:24:10 Origin of multiferroicity in MnWO4
DOI:10.1103/PhysRevB.87.144403 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Solovyev, I. V.;
7:5:24:11 Magnetic structure of the noncentrosymmetric perovskites PbVO3 and BiCoO3: Theoretical analysis
DOI:10.1103/PhysRevB.85.054420 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Solovyev, I. V.;
7:5:24:12 Multiferroicity and orbital ordering in Pr0.5Ca0.5MnO3 from first principles
DOI:10.1103/PhysRevB.82.140101 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Colizzi, Giuseppe;Filippetti, Alessio;Fiorentini, Vincenzo;
7:5:24:13 Spin-Orbit Origin of Anomalous Temperature Dependence of the Magnetic Susceptibility of PbVO3
DOI:10.1080/00150193.2014.889934 JN:FERROELECTRICS PY:2014 TC:1 AU: Radwanski, R. J.;Nalecz, D. M.;Ropka, Z.;Bujakiewicz-Koronska, R.;
7:5:25:1 FeCr2O4 and CoCr2O4 spinels: Multiferroicity in the collinear magnetic state?
DOI:10.1063/1.3656711 JN:APPLIED PHYSICS LETTERS PY:2011 TC:27 AU: Singh, Kiran;Maignan, Antoine;Simon, Charles;Martin, Christine;
7:5:25:2 Electronic and magnetic properties of (111)-oriented CoCr2O4 epitaxial thin film
DOI:10.1063/1.4891653 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Liu, Xiaoran;Kareev, M.;Cao, Yanwei;Liu, Jian;Middey, S.;Meyers, D.;Freeland, J. W.;Chakhalian, J.;
7:5:25:3 Unconventional Magnetostructural Transition in CoCr2O4 at High Magnetic Fields
DOI:10.1103/PhysRevLett.110.115502 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:8 AU: Tsurkan, V.;Zherlitsyn, S.;Yasin, S.;Felea, V.;Skourski, Y.;Deisenhofer, J.;von Nidda, H. -A. Krug;Wosnitza, J.;Loidl, A.;
7:5:25:4 Magnetoelasticity in ACr(2)O(4) spinel oxides (A = Mn, Fe, Co, Ni, and Cu)
DOI:10.1103/PhysRevB.87.064416 JN:PHYSICAL REVIEW B PY:2013 TC:6 AU: Kocsis, V.;Bordacs, S.;Varjas, D.;Penc, K.;Abouelsayed, A.;Kuntscher, C. A.;Ohgushi, K.;Tokura, Y.;Kezsmarki, I.;
7:5:25:5 Magnetic and structural phase transitions in the spinel compound Fe1+xCr2-xO4
DOI:10.1103/PhysRevB.89.134106 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Ma, J.;Garlea, V. O.;Rondinone, A.;Aczel, A. A.;Calder, S.;dela Cruz, C.;Sinclair, R.;Tian, W.;Chi, Songxue;Kiswandhi, A.;Brooks, J. S.;Zhou, H. D.;Matsuda, M.;
7:5:25:6 Spin-induced symmetry breaking in orbitally ordered NiCr2O4 and CuCr2O4
DOI:10.1103/PhysRevB.86.054406 JN:PHYSICAL REVIEW B PY:2012 TC:13 AU: Suchomel, Matthew R.;Shoemaker, Daniel P.;Ribaud, Lynn;Kemei, Moureen C.;Seshadri, Ram;
7:5:25:7 Structural ground states of (A, A ') Cr2O4(A= Mg, Zn; A ' = Co,Cu) spinel solid solutions: Spin-Jahn-Teller and Jahn-Teller effects
DOI:10.1103/PhysRevB.89.174410 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Kemei, Moureen C.;Moffitt, Stephanie L.;Darago, Lucy E.;Seshadri, Ram;Suchomel, Matthew R.;Shoemaker, Daniel P.;Page, Katharine;Siewenie, Joan;
7:5:25:8 B-T phase diagram of CoCr2O4 in magnetic fields up to 14 T
DOI:10.1103/PhysRevB.85.012101 JN:PHYSICAL REVIEW B PY:2012 TC:14 AU: Pronin, A. V.;Uhlarz, M.;Beyer, R.;Fischer, T.;Wosnitza, J.;Gorshunov, B. P.;Komandin, G. A.;Prokhorov, A. S.;Dressel, M.;Bush, A. A.;Torgashev, V. I.;
7:5:25:9 Magnetocapacitance as a sensitive probe of magnetostructural changes in NiCr2O4
DOI:10.1103/PhysRevB.89.024405 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Sparks, Taylor D.;Kemei, Moureen C.;Barton, Phillip T.;Seshadri, Ram;Mun, Eun-Deok;Zapf, Vivien S.;
7:5:25:10 Exchange bias in non-collinear spin-spiral system Co(Cr1-xCox)(2)O-4(x=0.0-0.1)
DOI:10.1016/j.jmmm.2014.07.052 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:1 AU: Padam, R.;Ravi, S.;Ramakrishnan, S.;Grover, A. K.;Pal, D.;
7:5:25:11 Spin state and orbital ordering in CuCr2O4 investigated by NMR
DOI:10.1103/PhysRevB.88.094417 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Jo, Euna;Kang, Byeongki;Kim, Changsoo;Kwon, Sangil;Lee, Soonchil;
7:5:25:12 Magnetostructural transition, metamagnetism, and magnetic phase coexistence in Co10Ge3O16
DOI:10.1103/PhysRevB.88.024403 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Barton, Phillip T.;Seshadri, Ram;Llobet, Anna;Suchomel, Matthew R.;
7:5:25:13 Magnetic compensation effect and phase reversal of exchange bias field across compensation temperature in multiferroic Co(Cr0.95Fe0.05)(2)O-4
DOI:10.1063/1.4795724 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Padam, R.;Pandya, Swati;Ravi, S.;Nigam, A. K.;Ramakrishnan, S.;Grover, A. K.;Pal, D.;
7:5:25:14 Understanding complex magnetic order in disordered cobalt hydroxides through analysis of the local structure
DOI:10.1103/PhysRevB.83.094418 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Neilson, James R.;Morse, Daniel E.;Melot, Brent C.;Shoemaker, Daniel P.;Kurzman, Joshua A.;Seshadri, Ram;
7:5:25:15 Ferroelectricity in spinel solid solution Co0.8Ni0.2Cr2O4
DOI:10.1103/PhysRevB.85.214112 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Bush, A. A.;Shkuratov, V. Ya.;Kamentsev, K. E.;Prokhorov, A. S.;Zhukova, E. S.;Gorshunov, B. P.;Torgashev, V. I.;
7:5:25:16 Observation of an intersublattice exchange magnon in CoCr2O4 and analysis of magnetic ordering
DOI:10.1103/PhysRevB.87.134423 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Kamenskyi, D.;Engelkamp, H.;Fischer, T.;Uhlarz, M.;Wosnitza, J.;Gorshunov, B. P.;Komandin, G. A.;Prokhorov, A. S.;Dressel, M.;Bush, A. A.;Torgashev, V. I.;Pronin, A. V.;
7:5:25:17 Understanding complex magnetic order in disordered cobalt hydroxides through analysis of the local structure (vol 83, 094418, 2011)
DOI:10.1103/PhysRevB.83.109904 JN:PHYSICAL REVIEW B PY:2011 TC:0 AU: Neilson, James R.;Morse, Daniel E.;Melot, Brent C.;Shoemaker, Daniel P.;Kurzman, Joshua A.;Seshadri, Ram;
7:5:25:18 B - T phase diagram of CoCr2O4 in magnetic fields up to 14 T (vol 85, 012101, 2012)
DOI:10.1103/PhysRevB.85.069901 JN:PHYSICAL REVIEW B PY:2012 TC:0 AU: Pronin, A. V.;Uhlarz, M.;Beyer, R.;Fischer, T.;Wosnitza, J.;Gorshunov, B. P.;Komandin, G. A.;Prokhorov, A. S.;Dressel, M.;Bush, A. A.;Torgashev, V. I.;
7:5:26:1 Structural investigations on Co3-xMnxTeO6; (0 < x <= 2); High temperature ferromagnetism and enhanced low temperature anti-ferromagnetism
DOI:10.1063/1.4893330 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Singh, Harishchandra;Sinha, A. K.;Ghosh, Haranath;Singh, M. N.;Rajput, Parasmani;Prajapat, C. L.;Singh, M. R.;Ravikumar, G.;
7:5:26:2 Observation of high-spin mixed oxidation state of cobalt in ceramic Co3TeO6
DOI:10.1063/1.4903053 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Singh, Harishchandra;Ghosh, Haranath;Rao, T. V. Chandrasekhar;Sinha, A. K.;Rajput, Parasmani;
7:5:26:3 Complex magnetism and magnetic-field-driven electrical polarization of Co3TeO6
DOI:10.1103/PhysRevB.84.180404 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Hudl, M.;Mathieu, R.;Ivanov, S. A.;Weil, M.;Carolus, V.;Lottermoser, Th.;Fiebig, M.;Tokunaga, Y.;Taguchi, Y.;Tokura, Y.;Nordblad, P.;
7:5:26:4 Temperature-dependent multi-k magnetic structure in multiferroic Co3TeO6
DOI:10.1016/j.materresbull.2011.10.003 JN:MATERIALS RESEARCH BULLETIN PY:2012 TC:10 AU: Ivanov, S. A.;Tellgren, R.;Ritter, C.;Nordblad, P.;Mathieu, R.;Andre, G.;Golubko, N. V.;Politova, E. D.;Weil, M.;
7:5:26:5 Interplay between the magnetic and electric degrees of freedom in multiferroic Co3TeO6
DOI:10.1103/PhysRevB.85.094431 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Li, Wen-Hsien;Wang, Chin-Wei;Hsu, Daniel;Lee, Chi-Hung;Wu, Chun-Ming;Chou, Chih-Chieh;Yang, Hung-Duen;Zhao, Yang;Chang, Sung;Lynn, Jeffrey W.;Berger, Helmuth;
7:5:26:6 New type of incommensurate magnetic ordering in Mn3TeO6
DOI:10.1016/j.materresbull.2011.07.041 JN:MATERIALS RESEARCH BULLETIN PY:2011 TC:12 AU: Ivanov, S. A.;Nordblad, P.;Mathieu, R.;Tellgren, R.;Ritter, C.;Golubko, N. V.;Politova, E. D.;Weil, M.;
7:5:26:7 First-order multi-k phase transitions and magnetoelectric effects in multiferroic Co3TeO6
DOI:10.1103/PhysRevB.85.214439 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Toledano, Pierre;Carolus, Vera;Hudl, Matthias;Lottermoser, Thomas;Khalyavin, Dmitry D.;Ivanov, Sergey A.;Fiebig, Manfred;
7:5:26:8 Chemical pressure effects on structural, dielectric and magnetic properties of solid solutions Mn3-xCoxTeO6
DOI:10.1016/j.materresbull.2013.10.016 JN:MATERIALS RESEARCH BULLETIN PY:2014 TC:1 AU: Ivanov, S. A.;Mathieu, R.;Nordblad, P.;Ritter, C.;Tellgren, R.;Golubko, N.;Mosunov, A.;Politova, E. D.;Weil, M.;
7:5:26:9 Magnetic phase diagram of the antiferromagnetic cobalt tellurate Co3TeO6
DOI:10.1103/PhysRevB.84.235123 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Her, J. L.;Chou, C. C.;Matsuda, Y. H.;Kindo, K.;Berger, H.;Tseng, K. F.;Wang, C. W.;Li, W. H.;Yang, H. D.;
7:5:26:10 Symmetry analysis of multiferroic Co3TeO6
DOI:10.1103/PhysRevB.85.100403 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Harris, A. B.;
7:5:26:11 Spin and Dipole Ordering in Ni2InSbO6 and Ni2ScSbO6 with Corundum-Related Structure
DOI:10.1021/cm304095s JN:CHEMISTRY OF MATERIALS PY:2013 TC:5 AU: Ivanov, S. A.;Mathieu, R.;Nordblad, P.;Tellgren, R.;Ritter, C.;Politova, E.;Kaleva, G.;Mosunov, A.;Stefanovich, S.;Weil, M.;
7:5:26:12 Influence of the A cation on the low-temperature antiferromagnetism of ordered antiferroelectric A(2)CoTeO(6) perovskites
DOI:10.1103/PhysRevB.83.174420 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Mathieu, R.;Ivanov, S. A.;Tellgren, R.;Nordblad, P.;
7:5:26:13 Structural and magnetic properties of Mn3-xCdxTeO6 (x=0, 1, 1.5 and 2)
DOI:10.1016/j.jmmm.2011.12.027 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:2 AU: Ivanov, S. A.;Mathieu, R.;Nordblad, P.;Politova, E.;Tellgren, R.;Ritter, C.;Proidakova, V.;
7:5:26:14 Complex magnetic couplings in Co3TeO6
DOI:10.1103/PhysRevB.88.184427 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:5:26:15 First order transition in Dy5Si3Ge: Transport and thermal properties, and first principles calculations
DOI:10.1063/1.3554255 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Nirmala, R.;Paudyal, Durga;Pecharsky, V. K.;Gschneidner, K. A., Jr.;Nigam, A. K.;
7:5:27:1 Magnetic structure of CaBaCo4O7: Lifting of geometrical frustration towards ferrimagnetism
DOI:10.1103/PhysRevB.81.094417 JN:PHYSICAL REVIEW B PY:2010 TC:34 AU: Caignaert, V.;Pralong, V.;Hardy, V.;Ritter, C.;Raveau, B.;
7:5:27:2 Gigantic magnetic-field-induced polarization and magnetoelectric coupling in a ferrimagnetic oxide CaBaCo4O7
DOI:10.1103/PhysRevB.88.174403 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Caignaert, V.;Maignan, A.;Singh, K.;Simon, Ch.;Pralong, V.;Raveau, B.;Mitchell, J. F.;Zheng, H.;Huq, A.;Chapon, L. C.;
7:5:27:3 Giant Tunability of Ferroelectric Polarization in GdMn2O5
DOI:10.1103/PhysRevLett.110.137203 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:11 AU: Lee, N.;Vecchini, C.;Choi, Y. J.;Chapon, L. C.;Bombardi, A.;Radaelli, P. G.;Cheong, S-W.;
7:5:27:4 Spin-assisted ferroelectricity in ferrimagnetic CaBaCo(4)O7
DOI:10.1103/PhysRevB.86.024410 JN:PHYSICAL REVIEW B PY:2012 TC:9 AU: Singh, K.;Caignaert, V.;Chapon, L. C.;Pralong, V.;Raveau, B.;Maignan, A.;
7:5:27:5 Closely related magnetic and dielectric transitions in the "114" magnetoelectric Zn-doped CaBaCo4O7
DOI:10.1063/1.4905033 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Seikh, Md Motin;Caignaert, V.;Suard, E.;Meher, K. R. S. Preethi;Maignan, A.;Raveau, B.;
7:5:27:6 CaBaCo4O7: A ferrimagnetic pyroelectric
DOI:10.1103/PhysRevB.90.045129 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Johnson, R. D.;Cao, K.;Giustino, F.;Radaelli, P. G.;
7:5:27:7 Competition between Ferrimagnetism and Magnetic Frustration in Zinc Substituted YBaFe4O7
DOI:10.1021/cm1002065 JN:CHEMISTRY OF MATERIALS PY:2010 TC:11 AU: Sarkar, Tapati;Pralong, V.;Caignaert, V.;Raveau, B.;
7:5:27:8 The effect of Al doping on the structure and magnetism in cobaltite CaBaCo4O7
DOI:10.1016/j.jallcom.2013.04.017 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:2 AU: Zou, Youming;Qu, Zhe;Zhang, Lei;Ning, Wei;Ling, Langsheng;Pi, Li;Zhang, Yuheng;
7:5:27:9 Magnetism of the "114" orthorhombic charge ordered CaBaCo4O7 doped with Zn or Ga: a spectacular valency effect
DOI:10.1039/c2jm33486k JN:JOURNAL OF MATERIALS CHEMISTRY PY:2012 TC:7 AU: Sarkar, Tapati;Seikh, Md. Motin;Pralong, V.;Caignaert, V.;Raveau, B.;
7:5:27:10 Oxygen hyperstoichiometric hexagonal ferrite CaBaFe4O7+delta (delta approximate to 0.14): Coexistence of ferrimagnetism and spin glass behavior
DOI:10.1103/PhysRevB.83.094409 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Sarkar, Tapati;Duffort, V.;Pralong, V.;Caignaert, V.;Raveau, B.;
7:5:27:11 Hysteretic "Magnetic-Transport-Structural" Transition in "114" Cobaltites: Size Mismatch Effect
DOI:10.1021/cm103088e JN:CHEMISTRY OF MATERIALS PY:2010 TC:12 AU: Sarkar, Tapati;Caignaert, V.;Pralong, V.;Raveau, B.;
7:5:27:12 Complex magnetic phase separation induced by Li-doping in multiferroic CaBaCo4O7
DOI:10.1063/1.4790373 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Seikh, Md. Motin;Sarkar, Tapati;Pralong, V.;Caignaert, V.;Raveau, B.;
7:5:27:13 Structural and magnetic phase transitions of kagome-like compounds REBaCo4O7 (RE = Dy, Ho, Er, Tm, Yb, Lu)
DOI:10.1016/j.jmmm.2009.03.002 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:15 AU: Markina, M.;Vasiliev, A. N.;Nakayama, N.;Mizota, T.;Yeda, Y.;
7:5:27:14 Dramatic effect of A-site substitution upon the structure and magnetism of the "114" CaBaCo4O7 cobaltite
DOI:10.1103/PhysRevB.86.184403 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Seikh, Md. Motin;Sarkar, Tapati;Pralong, V.;Caignaert, V.;Raveau, B.;
7:5:27:15 Spectacular switching from ferrimagnetism to antiferromagnetism by zinc doping in "114" orthorhombic CaBaCo4O7
DOI:10.1063/1.4725517 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Sarkar, Tapati;Seikh, Md. Motin;Pralong, V.;Caignaert, V.;Raveau, B.;
7:5:27:16 Electronic and magnetic structure of the mixed-valence cobaltite CaBaCo4O7
DOI:10.1103/PhysRevB.84.085116 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Chatterjee, S.;Saha-Dasgupta, T.;
7:5:27:17 Magnetically induced femtoscale strain modulations in HoMn2O5
DOI:10.1103/PhysRevB.89.125114 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Vecchini, C.;Bombardi, A.;Chapon, L. C.;Beutier, G.;Radaelli, P. G.;Park, S.;Cheong, S. -W.;
7:5:27:18 Gallium substituted "114" YBaFe4O7: from a ferrimagnetic cluster glass to a cationic disordered spin glass
DOI:10.1039/c2jm15647d JN:JOURNAL OF MATERIALS CHEMISTRY PY:2012 TC:2 AU: Sarkar, Tapati;Caignaert, V.;Pralong, V.;Raveau, B.;
7:5:27:19 Substitution effect of manganese for iron in "114'' YBaFe4O7 ferrite: structure, magnetism and oxygen hyperstoichiometry
DOI:10.1039/c2jm33456a JN:JOURNAL OF MATERIALS CHEMISTRY PY:2012 TC:1 AU: Duffort, V.;Sarkar, T.;Serrao, C. R.;Pralong, V.;Caignaert, V.;Maignan, A.;Raveau, B.;
7:5:28:1 epsilon-Fe2O3: An Advanced Nanomaterial Exhibiting Giant Coercive Field, Millimeter-Wave Ferromagnetic Resonance, and Magnetoelectric Coupling
DOI:10.1021/cm101967h JN:CHEMISTRY OF MATERIALS PY:2010 TC:51 AU: Tucek, Jiri;Zboril, Radek;Namai, Asuka;Ohkoshi, Shin-ichi;
7:5:28:2 Electromagnon in ferrimagnetic epsilon-Fe2O3 nanograin ceramics
DOI:10.1103/PhysRevB.88.104301 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Kadlec, Christelle;Kadlec, Filip;Goian, Veronica;Gich, Marti;Kempa, Martin;Rols, Stephane;Savinov, Maxim;Prokleska, Jan;Orlita, Milan;Kamba, Stanislav;
7:5:28:3 Multiferroic Iron Oxide Thin Films at Room Temperature
DOI:10.1002/adma.201400990 JN:ADVANCED MATERIALS PY:2014 TC:8 AU: Gich, Marti;Fina, Ignasi;Morelli, Alessio;Sanchez, Florencio;Alexe, Marin;Gazquez, Jaume;Fontcuberta, Josep;Roig, Anna;
7:5:28:4 Magnetic BaFe12O19 nanofiber filter for effective separation of Fe3O4 nanoparticles and removal of arsenic
DOI:10.1007/s11051-014-2787-2 JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2014 TC:0 AU: Byun, Jeehye;Patel, Hasmukh A.;Yavuz, Cafer T.;
7:5:28:5 High-frequency millimeter wave absorption of indium-substituted epsilon-Fe2O3 spherical nanoparticles (invited)
DOI:10.1063/1.4870168 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Yoshikiyo, Marie;Namai, Asuka;Nakajima, Makoto;Yamaguchi, Keita;Suemoto, Tohru;Ohkoshi, Shin-ichi;
7:5:28:6 Epitaxial stabilization of epsilon-Fe2O3 (00l) thin films on SrTiO3 (111)
DOI:10.1063/1.3360217 JN:APPLIED PHYSICS LETTERS PY:2010 TC:12 AU: Gich, M.;Gazquez, J.;Roig, A.;Crespi, A.;Fontcuberta, J.;Idrobo, J. C.;Pennycook, S. J.;Varela, M.;Skumryev, V.;Varela, M.;
7:5:28:7 Arsenic removal by magnetic nanocrystalline barium hexaferrite
DOI:10.1007/s11051-012-0881-x JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2012 TC:11 AU: Patel, Hasmukh A.;Byun, Jeehye;Yavuz, Cafer T.;
7:5:28:8 Room-temperature ground magnetic state of epsilon-Fe2O3: In-field Mossbauer spectroscopy evidence for collinear ferrimagnet
DOI:10.1063/1.3671114 JN:APPLIED PHYSICS LETTERS PY:2011 TC:12 AU: Tucek, Jiri;Ohkoshi, Shin-ichi;Zboril, Radek;
7:5:28:9 The synthesis of rhodium substituted epsilon-iron oxide exhibiting super high frequency natural resonance
DOI:10.1039/c3tc30805g JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2013 TC:2 AU: Namai, Asuka;Yoshikiyo, Marie;Umeda, Sayaka;Yoshida, Takayuki;Miyazaki, Tatsuro;Nakajima, Makoto;Yamaguchi, Keita;Suemoto, Tohru;Ohkoshi, Shin-ichi;
7:5:28:10 Ultrafine alpha-Fe2O3 nanoparticles grown in confinement of in situ self-formed "cage" and their superior adsorption performance on arsenic(III)
DOI:10.1007/s11051-010-0157-2 JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2011 TC:11 AU: Tang, Wenshu;Li, Qi;Li, Caifu;Gao, Shian;Shang, Jian Ku;
7:5:28:11 High ferromagnetic resonance and thermal stability spinel Ni0.7Mn0.3-xCoxFe2O4 ferrite for ultra high frequency devices
DOI:10.1063/1.3678300 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Lee, Jaejin;Hong, Yang-Ki;Lee, Woncheol;Abo, Gavin S.;Park, Jihoon;Syslo, Ryan;Seong, Won-Mo;Park, Sang-Hoon;Ahn, Won-Ki;
7:5:28:12 The phase transition of epsilon-InxFe2-xO3 nanomagnets with a large thermal hysteresis loop (invited)
DOI:10.1063/1.3672075 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Yamada, Kana;Tokoro, Hiroko;Yoshikiyo, Marie;Yorinaga, Takenori;Namai, Asuka;Ohkoshi, Shin-ichi;
7:5:28:13 Design of experiment for hysteresis loops measurement
DOI:10.1016/j.jmmm.2014.05.012 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:0 AU: Tuckova, Michaela;Harman, Radoslav;Tucek, Pavel;Tucek, Jiri;
7:5:28:14 Temperature dependence of spin resonance in cobalt substituted NiZnCu ferrites
DOI:10.1063/1.3507266 JN:APPLIED PHYSICS LETTERS PY:2010 TC:5 AU: Lucas, A.;Lebourgeois, R.;Mazaleyrat, F.;Laboure, E.;
7:5:28:15 Phase-controlled preparation of iron (oxyhydr)oxide nanocrystallines for heavy metal removal
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7:5:29:1 Room Temperature Nanoscale Ferroelectricity in Magnetoelectric GaFeO3 Epitaxial Thin Films
DOI:10.1103/PhysRevLett.111.087601 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:10 AU: Mukherjee, Somdutta;Roy, Amritendu;Auluck, Sushil;Prasad, Rajendra;Gupta, Rajeev;Garg, Ashish;
7:5:29:2 Spin-phonon coupling, high-pressure phase transitions, and thermal expansion of multiferroic GaFeO3: A combined first principles and inelastic neutron scattering study
DOI:10.1103/PhysRevB.90.134304 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Gupta, Mayanak Kumar;Mittal, Ranjan;Zbiri, Mohamed;Singh, Ripandeep;Rols, Stephane;Schober, Helmut;Chaplot, Samrath Lal;
7:5:29:3 Phase stability of multiferroic GaFeO3 up to 1368 K from in situ neutron diffraction
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7:5:29:4 High-temperature phonon spectra of multiferroic BiFeO3 from inelastic neutron spectroscopy
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7:5:29:5 Magnetoelectric effects studied by resonant x-ray diffraction in ferrimagnetic GaFeO3
DOI:10.1103/PhysRevB.82.104411 JN:PHYSICAL REVIEW B PY:2010 TC:12 AU: Staub, U.;Bodenthin, Y.;Piamonteze, C.;Collins, S. P.;Koohpayeh, S.;Fort, D.;Lovesey, S. W.;
7:5:29:6 Evidence of large nonlinear magnetic effects in the paramagnetic phase of GaFeO3
DOI:10.1103/PhysRevB.84.224427 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Gruener, Gisele;Vitucci, Francesco;Calvani, Paolo;Soret, Jean-Claude;
7:5:29:7 Multiferroic and magnetodielectric properties of the Al1-xGaxFeO3 family of oxides
DOI:10.1039/c0jm02688c JN:JOURNAL OF MATERIALS CHEMISTRY PY:2011 TC:20 AU: Shireen, Ajmala;Saha, Rana;Mandal, P.;Sundaresan, A.;Rao, C. N. R.;
7:5:29:8 Study of Ga(2-x)FexO3 solid solution: Optimisation of the ceramic processing
DOI:10.1016/j.jeurceramsoc.2012.11.014 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:6 AU: Roulland, Francois;Lefevre, Christophe;Thomasson, Alexandre;Viart, Nathalie;
7:5:29:9 Room temperature multiferroicity in Ga0.6Fe1.4O3:Mg thin films
DOI:10.1063/1.4808349 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Thomasson, A.;Cherifi, S.;Lefevre, C.;Roulland, F.;Gautier, B.;Albertini, D.;Meny, C.;Viart, N.;
7:5:29:10 Magnetic frustration effect in polycrystalline Ga2-xFexO3
DOI:10.1016/j.jmmm.2010.07.018 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:11 AU: Wang, N.;Wen, F. S.;Li, L.;Lue, Y. F.;Liu, S. C.;Lu, Y. F.;Liu, Z. Y.;Xu, B.;He, J. L.;Yu, D. L.;Tian, Y. J.;
7:5:29:11 Ferromagnetic-type order of atomic multipoles in the polar ferrimagnetic GaFeO3
DOI:10.1103/PhysRevB.85.144421 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Staub, U.;Piamonteze, C.;Garganourakis, M.;Collins, S. P.;Koohpayeh, S. M.;Fort, D.;Lovesey, S. W.;
7:5:29:12 Chiral properties of hematite alpha-Fe2O3 inferred from resonant Bragg diffraction using circularly polarized x rays
DOI:10.1103/PhysRevB.88.094437 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Rodriguez-Fernandez, A.;Blanco, J. A.;Lovesey, S. W.;Scagnoli, V.;Staub, U.;Walker, H. C.;Shukla, D. K.;Strempfer, J.;
7:5:29:13 Spin glass-like phase below similar to 210 K in magnetoelectric gallium ferrite
DOI:10.1063/1.3693400 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Mukherjee, Somdutta;Garg, Ashish;Gupta, Rajeev;
7:5:29:14 Epitaxial growth of metastable multiferroic AlFeO3 film on SrTiO3 (111) substrate
DOI:10.1063/1.4866798 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Hamasaki, Yosuke;Shimizu, Takao;Taniguchi, Hiroki;Taniyama, Tomoyasu;Yasui, Shintaro;Itoh, Mitsuru;
7:5:29:15 Magnetic anisotropy and sub-lattice magnetization study of polycrystalline magneto-electric Ga2-xFexO3
DOI:10.1016/j.jmmm.2014.03.008 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:3 AU: Reddy, V. Raghavendra;Sharma, Kavita;Gupta, Ajay;Banerjee, A.;
7:5:29:16 Inelastic neutron scattering studies of YFeO3
DOI:10.1103/PhysRevB.89.014420 JN:PHYSICAL REVIEW B PY:2014 TC:3 AU: Hahn, S. E.;Podlesnyak, A. A.;Ehlers, G.;Granroth, G. E.;Fishman, R. S.;Kolesnikov, A. I.;Pomjakushina, E.;Conder, K.;
7:5:29:17 Reduced leakage currents and possible charge carriers tuning in Mg-doped Ga0.6Fe1.4O3 thin films
DOI:10.1063/1.4729872 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Lefevre, C.;Shin, R. H.;Lee, J. H.;Oh, S. H.;Roulland, F.;Thomasson, A.;Autissier, E.;Meny, C.;Jo, W.;Viart, N.;
7:5:29:18 Second harmonic generation in a polar ferrimagnet GaFeO3
DOI:10.1103/PhysRevB.82.024424 JN:PHYSICAL REVIEW B PY:2010 TC:2 AU: Igarashi, Jun-ichi;Nagao, Tatsuya;
7:5:30:1 Origin of Electric-Field-Induced Magnetization in Multiferroic HoMnO3
DOI:10.1103/PhysRevLett.104.147204 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:24 AU: Ueland, B. G.;Lynn, J. W.;Laver, M.;Choi, Y. J.;Cheong, S. -W.;
7:5:30:2 Magneto- to Electroactive Transmutation of Spin Waves in ErMnO3
DOI:10.1103/PhysRevLett.112.137201 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Chaix, L.;de Brion, S.;Petit, S.;Ballou, R.;Regnault, L. -P.;Ollivier, J.;Brubach, J. -B.;Roy, P.;Debray, J.;Lejay, P.;Cano, A.;Ressouche, E.;Simonet, V.;
7:5:30:3 Infrared-active optical phonons and magnetic excitations in the hexagonal manganites RMnO3 (R = Ho, Er, Tm, Yb, and Lu)
DOI:10.1103/PhysRevB.90.024307 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Basistyy, R.;Stanislavchuk, T. N.;Sirenko, A. A.;Litvinchuk, A. P.;Kotelyanskii, M.;Carr, G. L.;Lee, N.;Wang, X.;Cheong, S. -W.;
7:5:30:4 Terahertz and infrared spectroscopic evidence of phonon-paramagnon coupling in hexagonal piezomagnetic YMnO3
DOI:10.1103/PhysRevB.84.174120 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Kadlec, C.;Goian, V.;Rushchanskii, K. Z.;Kuzel, P.;Lezaic, M.;Kohn, K.;Pisarev, R. V.;Kamba, S.;
7:5:30:5 Far-infrared spectra of the magnetic exchange resonances and optical phonons and their connection to magnetic and dielectric properties of Dy3Fe5O12 garnet
DOI:10.1103/PhysRevB.86.144112 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Kang, T. D.;Standard, E. C.;Rogers, P. D.;Ahn, K. H.;Sirenko, A. A.;Dubroka, A.;Bernhard, C.;Park, S.;Choi, Y. J.;Cheong, S. -W.;
7:5:30:6 Adjusted oscillator strength matching for hybrid magnetic and electric excitations in Dy3Fe5O12 garnet
DOI:10.1103/PhysRevB.83.174407 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Rogers, P. D.;Choi, Y. J.;Standard, E. C.;Kang, T. D.;Ahn, K. H.;Dubroka, A.;Marsik, P.;Wang, Ch.;Bernhard, C.;Park, S.;Cheong, S. -W.;Kotelyanskii, M.;Sirenko, A. A.;
7:5:30:7 Magnons and crystal-field transitions in hexagonal RMnO3 (R = Er, Tm, Yb, Lu) single crystals
DOI:10.1103/PhysRevB.85.144422 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Standard, E. C.;Stanislavchuk, T.;Sirenko, A. A.;Lee, N.;Cheong, S. -W.;
7:5:30:8 Coupling between magnon and ligand-field excitations in magnetoelectric Tb3Fe5O12 garnet
DOI:10.1103/PhysRevB.82.014414 JN:PHYSICAL REVIEW B PY:2010 TC:10 AU: Kang, T. D.;Standard, E.;Ahn, K. H.;Sirenko, A. A.;Carr, G. L.;Park, S.;Choi, Y. J.;Ramazanoglu, M.;Kiryukhin, V.;Cheong, S. -W.;
7:5:30:9 Mueller matrices for anisotropic metamaterials generated using 4 x 4 matrix formalism
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7:5:30:10 Lattice and spin excitations in multiferroic h-YbMnO3
DOI:10.1103/PhysRevB.86.184410 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Liu, J.;Toulouse, C.;Rovillain, P.;Cazayous, M.;Gallais, Y.;Measson, M-A.;Lee, N.;Cheong, S. W.;Sacuto, A.;
7:5:30:11 Lattice and spin excitations in multiferroic h-YMnO3
DOI:10.1103/PhysRevB.89.094415 JN:PHYSICAL REVIEW B PY:2014 TC:2 AU: Toulouse, C.;Liu, J.;Gallais, Y.;Measson, M. -A.;Sacuto, A.;Cazayous, M.;Chaix, L.;Simonet, V.;de Brion, S.;Pinsard-Godart, L.;Willaert, F.;Brubach, J. B.;Roy, P.;Petit, S.;
7:5:30:12 Ab Initio Phonon Structure of h-YMnO3 in Low-Symmetry Ferroelectric Phase
DOI:10.1080/00150193.2012.671116 JN:FERROELECTRICS PY:2012 TC:0 AU: Rushchanskii, Konstantin Z.;Lezaic, Marjana;
7:5:30:13 Rotatable broadband retarders for far-infrared spectroscopic ellipsometry
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7:5:31:1 Spin reorientation behavior in YMn1-xMxO3 (M=Ti, Fe, Ga; x=0, 0.1)
DOI:10.1016/j.jmmm.2013.08.021 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:2 AU: Sharma, Neetika;Das, A.;Prajapat, C. L.;Meena, S. S.;
7:5:31:2 Dominance of magnetoelastic coupling in multiferroic hexagonal YMnO3
DOI:10.1103/PhysRevB.81.184406 JN:PHYSICAL REVIEW B PY:2010 TC:21 AU: Singh, A. K.;Patnaik, S.;Kaushik, S. D.;Siruguri, V.;
7:5:31:3 Magnetic structure of hexagonal YMnO3 and LuMnO3 from a microscopic point of view
DOI:10.1103/PhysRevB.86.054407 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Solovyev, I. V.;Valentyuk, M. V.;Mazurenko, V. V.;
7:5:31:4 Doping dependence of spin-lattice coupling and two-dimensional ordering in multiferroic hexagonal Y1-xLuxMnO3 (0 <= x <= 1)
DOI:10.1103/PhysRevB.82.054428 JN:PHYSICAL REVIEW B PY:2010 TC:14 AU: Park, Junghwan;Lee, Seongsu;Kang, Misun;Jang, Kwang-Hyun;Lee, Changhee;Streltsov, S. V.;Mazurenko, V. V.;Valentyuk, M. V.;Medvedeva, J. E.;Kamiyama, T.;Park, J. -G.;
7:5:31:5 Effect of Fe substitution on multiferroic hexagonal YMnO3
DOI:10.1016/j.jmmm.2010.09.055 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:18 AU: Zaghrioui, M.;Greneche, J. M.;Autret-Lambert, C.;Gervais, M.;
7:5:31:6 Investigation of charge states and multiferroicity in Fe-doped h-YMnO3
DOI:10.1063/1.4794831 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Namdeo, Sonu;Sinha, A. K.;Singh, M. N.;Awasthi, A. M.;
7:5:31:7 Spin-glass behavior of Cr-doped YMnO3 compounds
DOI:10.1063/1.4731631 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:10 AU: Yoo, Y. J.;Lee, Y. P.;Park, J. S.;Kang, J. -H.;Kim, J.;Lee, B. W.;Seo, M. S.;
7:5:31:8 Disorder-driven spin-reorientation in multiferroic h-YMn1-xFexO3
DOI:10.1063/1.4887809 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Namdeo, Sonu;Rao, S. S.;Kaushik, S. D.;Siruguri, V.;Awasthi, A. M.;
7:5:31:9 Magnetic and dielectric behavior in YMn1-xFexO3 (x <= 0.5)
DOI:10.1063/1.4882069 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Sharma, Neetika;Das, A.;Mishra, S. K.;Prajapat, C. L.;Singh, M. R.;Meena, S. S.;
7:5:31:10 Atomistic simulation of Y-site substitution in multiferroic h-YMnO3
DOI:10.1103/PhysRevB.83.054104 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Zhang, Chengguo;Zhang, X.;Sun, Yonghao;Liu, Shuyi;
7:5:31:11 Local structural studies of hole doped hexagonal multiferroic Y(Mn,Zn)O-3
DOI:10.1063/1.3615682 JN:APPLIED PHYSICS LETTERS PY:2011 TC:5 AU: Cho, Deok-Yong;Park, Junghwan;Kim, Jiyeon;Park, Je-Geun;
7:5:31:12 Magnetic properties and local microstructures in Zn-doped YMnO3
DOI:10.1063/1.4870455 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Zhang, A. M.;Zhou, G. T.;Zheng, L.;Wu, X. S.;
7:5:31:13 Influence of doping on the spin dynamics and magnetoelectric effect in hexagonal Y0.7Lu0.3MnO3
DOI:10.1103/PhysRevB.89.144417 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Tian, W.;Tan, Guotai;Liu, Liu;Zhang, Jinxing;Winn, Barry;Hong, Tao;Fernandez-Baca, J. A.;Zhang, Chenglin;Dai, Pengcheng;
7:5:31:14 First-principles modeling of magnetic excitations in Mn-12
DOI:10.1103/PhysRevB.89.214422 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Mazurenko, V. V.;Kvashnin, Y. O.;Jin, Fengping;De Raedt, H. A.;Lichtenstein, A. I.;Katsnelson, M. I.;
7:5:31:15 Correlation between magnetic ordering and electric polarization in YMn1-xFexO3 nanocrystalline materials
DOI:10.1063/1.3673412 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Han, Tai-Chun;Wu, Pei-Jung;Shih, Yi-Lun;
7:5:31:16 Effects of Cr doping on the magnetic properties of multiferroic YMnO3
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7:5:31:17 Effect of Al doping on the microstructure properties of YMn1-xAlxO3
DOI:10.1016/j.jcrysgro.2010.10.182 JN:JOURNAL OF CRYSTAL GROWTH PY:2011 TC:5 AU: Zhang, A. M.;Zhu, W. H.;Wu, X. S.;Qing, B.;
7:5:32:1 4d-5p Orbital Mixing and Asymmetric In 4d-O 2p Hybridization in InMnO3: A New Bonding Mechanism for Hexagonal Ferroelectricity
DOI:10.1103/PhysRevLett.106.047601 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:19 AU: Oak, Min-Ae;Lee, Jung-Hoon;Jang, Hyun Myung;Goh, Jung Suk;Choi, Hyoung Joon;Scott, James F.;
7:5:32:2 Local spin-coupled distortions in multiferroic hexagonal HoMnO3
DOI:10.1103/PhysRevB.81.054101 JN:PHYSICAL REVIEW B PY:2010 TC:16 AU: Tyson, T. A.;Wu, T.;Ahn, K. H.;Kim, S. -B.;Cheong, S. -W.;
7:5:32:3 Atomistic simulation study of defects in h-HoMnO3
DOI:10.1063/1.4803149 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Jiang, Ning;Zhang, X.;
7:5:32:4 Spin frustration and spin-lattice coupling in multiferroic hexagonal HoMnO3 investigated by the first principles
DOI:10.1016/j.jmmm.2014.01.060 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:1 AU: Zhong, Chonggui;Dong, Zhengchao;Li, Chengdi;Zhao, Jinglong;
7:5:32:5 Asymmetric Ho 5d-O 2p hybridization as the origin of hexagonal ferroelectricity in multiferroic HoMnO3
DOI:10.1103/PhysRevB.84.153106 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Oak, Min-Ae;Lee, Jung-Hoon;Jang, Hyun Myung;
7:5:32:6 Role of the apical oxygen in the low-temperature magnetoelectric effect in RMnO3 (R = Ho and Lu)
DOI:10.1103/PhysRevB.85.134445 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Vermette, J.;Jandl, S.;Orlita, M.;Gospodinov, M. M.;
7:5:32:7 Structural, dielectric, antiferromagnetic, and thermal properties of the frustrated hexagonal Ho1-xErxMnO3 manganites
DOI:10.1103/PhysRevB.83.144404 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Liu, Peng;Wang, Xiao-Lin;Cheng, Zhen-Xiang;Du, Yi;Kimura, Hideo;
7:5:32:8 Frustration-driven magnetic order in hexagonal InMnO3
DOI:10.1103/PhysRevB.84.054455 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Fabreges, X.;Mirebeau, I.;Petit, S.;Bonville, P.;Belik, A. A.;
7:5:32:9 Ferroelectricity in single crystal InMnO3
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7:5:32:10 Artificially imposed hexagonal ferroelectricity in canted antiferromagnetic YFeO3 epitaxial thin films
DOI:10.1016/j.matchemphys.2012.12.086 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2013 TC:2 AU: Ahn, Suk-Jin;Lee, Jung-Hoon;Jeong, Young Kyu;Na, Eun-Hye;Koo, Yang Mo;Jang, Hyun Myung;
7:5:32:11 High-pressure structural stability of multiferroic hexagonal RMnO3 (R = Y, Ho, Lu)
DOI:10.1103/PhysRevB.83.224113 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Gao, P.;Chen, Z.;Tyson, T. A.;Wu, T.;Ahn, K. H.;Liu, Z.;Tappero, R.;Kim, S. B.;Cheong, S-W.;
7:5:32:12 Measurements and ab initio molecular dynamics simulations of the high temperature ferroelectric transition in hexagonal RMnO3
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7:5:32:13 Mode coupling between nonpolar and polar phonons as the origin of improper ferroelectricity in hexagonal LuMnO3
DOI:10.1039/c4tc00182f JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2014 TC:0 AU: Song, Seungwoo;Lee, Jung-Hoon;Jang, Hyun Myung;
7:5:32:14 Phase transformation in hexagonal ErMnO3 under high pressure
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7:5:32:15 Specific heat and magnetic order of La(0.2)Ca(0.8)MnO(3)
DOI:10.1063/1.3354074 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:2 AU: Markovich, V.;Wieckowski, J.;Gutowska, M.;Szewczyk, A.;Wisniewski, A.;Martin, C.;Gorodetsky, G.;
7:5:32:16 The covalent bonding interaction in the ferroelectric LuMnO3
DOI:10.1063/1.3655986 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Ahn, Suk-Jin;Kim, Jinyoung;Shin, Namsoo;Koo, Yang-Mo;
7:5:33:1 A Polar Corundum Oxide Displaying Weak Ferromagnetism at Room Temperature
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7:5:33:2 Crystal Structures and Properties of Perovskites ScCrO3 and InCrO3 with Small Ions at the A Site
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7:5:33:3 High-Pressure Synthesis and Local Structure of Corundum-Type In2-2xZnxSnxO3 (x <= 0.7)
DOI:10.1021/ja106048x JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2010 TC:13 AU: Hoel, Cathleen A.;Gallardo Amores, Jose Manuel;Moran, Emilio;Angel Alario-Franco, Miguel;Gaillard, Jean-Francois;Poeppelmeier, Kenneth R.;
7:5:33:4 Room-Temperature Polar Ferromagnet ScFeO3 Transformed from a High-Pressure Orthorhombic Perovskite Phase
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7:5:33:5 High-Pressure Synthesis, Crystal Structure, and Phase Stability Relations of a LiNbO3-Type Polar Titanate ZnTiO3 and Its Reinforced Polarity by the Second-Order Jahn-Teller Effect
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7:5:33:6 Perovskite, LiNbO3, Corundum, and Hexagonal Polymorphs of (In1-xMx)MO3
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7:5:33:7 Synthesis, Structural Transformation, Thermal Stability, Valence State, and Magnetic and Electronic Properties of PbNiO3 with Perovskite- and LiNbO3-Type Structures
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7:5:33:8 High-Pressure Synthesis of A-Site Ordered Double Perovskite CaMnTi2O6 and Ferroelectricity Driven by Coupling of A-Site Ordering and the Second-Order Jahn-Teller Effect
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7:5:33:9 Designing Polar and Magnetic Oxides: Zn2FeTaO6 - in Search of Multiferroics
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7:5:33:10 Intriguing sequence of GaFeO3 structures and electronic states to 70 GPa
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7:5:33:11 Highly Stable Cooperative Distortion in a Weak Jahn-Teller d(2) Cation: Perovskite-Type ScVO3 Obtained by High-Pressure and High-Temperature Transformation from Bixbyite
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7:5:33:12 Pulsed-laser deposition of heteroepitaxial corundum-type ZITO: cor-In-2 (-) (2x) ZnxSnxO3
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7:5:34:1 Study on magnetic and dielectric properties of YMnO3 ceramics
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7:5:34:2 Size-dependent thermal properties of multiferroic ErMnO3 nanoparticles using photopyroelectric technique
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7:5:34:3 Hydrothermal synthesis, magnetism and resistivity of orthorhombic perovskite manganates Y1-xCaxMnO3 (x=0, 0.07, 0.55, 0.65)
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7:5:34:4 Enhanced magnetization and magnetoelectric coupling in hydrogen treated hexagonal YMnO3
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7:5:34:5 The grain size and temperature dependence of the thermal conductivity of polycrystalline, tetragonal yttria-stabilized zirconia
DOI:10.1063/1.3593383 JN:APPLIED PHYSICS LETTERS PY:2011 TC:9 AU: Limarga, Andi M.;Clarke, David R.;
7:5:34:6 Mechanical properties of the hexagonal HoMnO3 thin films by nanoindentation
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7:5:34:7 Structural and magnetic properties of geometrically frustrated multiferroic ErMnO3 nanoparticles
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7:5:34:8 Thermal (Kapitza) resistance of interfaces in compositional dependent ZnO-In2O3 superlattices
DOI:10.1063/1.4809784 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Liang, Xin;Baram, Mor;Clarke, David R.;
7:5:34:9 Magnetoelectric properties of multiferroic composites (1-x) ErMnO3-xY(3)Fe(5)O(12) at room temperature
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7:5:34:10 Dielectric relaxation and enhanced multiferroic properties in YMn0.8Fe0.2O3 ceramics prepared by in situ spark plasma sintering
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7:5:34:11 Structural and magnetic properties of (La0.70-xYx)Ba0.30Mn1-xFexO3 perovskites simultaneously doped on A and B sites (0.0 <= x <= 0.30)
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7:5:34:12 Dielectric and aging behavior of multiferroic YbMnO3 ceramics
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7:5:34:13 Fabrication and texture evolution of hexagonal YMnO3 nanofibers by electrospinning
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7:5:34:14 Nonlinear optical absorption studies of sol-gel derived Yttrium Iron Garnet (Y3Fe5O12) nanoparticles by Z-scan technique
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7:5:35:1 Magnetic structure and electric field effects in multiferroic YMn2O5
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7:5:35:2 Antiferromagnetically Spin Polarized Oxygen Observed in Magnetoelectric TbMn2O5
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7:5:35:3 Observation of Electronic Ferroelectric Polarization in Multiferroic YMn2O5
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7:5:35:4 Evolution of magnetic phases in single crystals of SrFe1-xCoxO3 solid solution
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7:5:35:5 Reversing ferroelectric polarization in multiferroic DyMn2O5 by nonmagnetic Al substitution of Mn
DOI:10.1063/1.4891979 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Zhao, Z. Y.;Liu, M. F.;Li, X.;Wang, J. X.;Yan, Z. B.;Wang, K. F.;Liu, J-M;
7:5:35:6 Large scale and fast synthesis of multiferroic TbMn2O5 single-crystalline nanorods
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7:5:35:7 Magnetic order of multiferroic ErMn2O5 studied by resonant soft x-ray Bragg diffraction
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7:5:35:8 Magnetically induced electric polarization reversal in multiferroic TbMn2O5: Terbium spin reorientation studied by resonant x-ray diffraction
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7:5:35:9 Magnetic structure of DyMn2O5 determined by resonant x-ray scattering
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7:5:35:10 Independent ferroelectric contributions and rare-earth-induced polarization reversal in multiferroic TbMn2O5
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7:5:35:11 Nonstoichiometry Effect on Magnetoelectric Coupling in Cuprate Multiferroics
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7:5:35:12 Hydrothermal synthesis of DyMn2O5 nanorods and their magnetic properties
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7:5:35:13 Polar atomic displacements in multiferroics observed via anomalous x-ray diffraction
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7:5:35:14 X-ray diffraction study of the temperature-induced structural phase transitions in SmVO3
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7:5:35:15 Strong magnetoelastic effect on the magnetoelectric phenomena of TbMn2O5
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7:5:35:16 Magnetic ordering in NdMn2O5 studied by the neutron diffraction
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7:5:35:17 Measuring Friedel pairs in nanomembranes of GaAs (001)
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7:5:36:1 Impact of the various spin- and orbital-ordering processes on the multiferroic properties of orthovanadate DyVO3
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7:5:36:2 Transport and magnetic properties in the Dy1-xCaxVO3 ceramics
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7:5:36:3 Critical competition between two distinct orbital-spin ordered states in perovskite vanadates
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7:5:36:4 Spin and orbital ordering in Y1-xLaxVO3
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7:5:36:5 Structural and magnetic phase transitions of the orthovanadates RVO3 (R = Dy, Ho, Er) as seen via neutron diffraction
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7:5:36:6 Dy-V magnetic interaction and local structure bias on the complex spin and orbital ordering in Dy1-xTbxVO3 (x=0 and 0.2)
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7:5:36:7 Effects of cation-size variance on spin and orbital orders in Eu1-x(La0.254Y0.746)(x) VO3
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7:5:36:8 Bulk modulus and thermal properties of RVO3 (R = La, Ce, Pr, Nd)
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7:5:36:9 Specific heat of hole-doped vanadates: Y1-xCaxVO3, Pr1-xCaxVO3 and Nd1-xSrxVO3
DOI:10.1016/j.matchemphys.2013.07.018 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2013 TC:0 AU: Parveen, Atahar;Gaur, N. K.;
7:5:36:10 Magnetic phase transition in the low-dimensional compound BaMn2Si2O7
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7:5:36:11 Investigations of Thermal Properties of Earth Mantle Silicates: ASiO(3) (A = Mg, Ca)
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7:5:36:12 Metamagnetic transition of martensitic type in electron-doped manganites Ca1-xCexMnO3 (x=0.10, 0.12)
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7:5:36:13 Influence of temperature on thermal properties of (Sm, Eu) VO3
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7:5:37:1 Spin correlations in the geometrically frustrated RBaCo4O7 antiferromagnets: Mean-field approach and Monte Carlo simulations
DOI:10.1103/PhysRevB.82.094401 JN:PHYSICAL REVIEW B PY:2010 TC:12 AU: Khalyavin, D. D.;Manuel, P.;Mitchell, J. F.;Chapon, L. C.;
7:5:37:2 Spin-ordering and magnetoelastic coupling in the extended kagome system YBaCo4O7
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7:5:37:3 Spin dynamics, short-range order, and spin freezing in Y0.5Ca0.5BaCo4O7
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7:5:37:4 Possible chiral spin-liquid phase in noncentrosymmetric RBaCo4O7
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7:5:37:5 Spin-liquid phase and order by disorder of classical Heisenberg spins on the swedenborgite lattice
DOI:10.1103/PhysRevB.90.020403 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Buhrandt, Stefan;Fritz, Lars;
7:5:37:6 Oxygen Stoichiometry in the Geometrically Frustrated Kagome System YBaCo4O7+delta: Impact on Phase Behavior and Magnetism
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7:5:37:7 Spin correlations in the extended kagome system YBaCo3FeO7
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7:5:37:8 Kinetic control of structural and magnetic states in LuBaCo4O7
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7:5:37:9 Evidence for an internal-field-induced spin-flop configuration in the extended kagome YBaCo4O7
DOI:10.1103/PhysRevB.87.064419 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Hoch, M. J. R.;Kuhns, P. L.;Yuan, S.;Besara, T.;Whalen, J. B.;Siegrist, T.;Reyes, A. P.;Brooks, J. S.;Zheng, H.;Mitchell, J. F.;
7:5:37:10 Spin ordering and dynamics in the frustrated antiferromagnet YBaCo4O7.1
DOI:10.1103/PhysRevB.89.094416 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Yuan, S.;Hu, X.;Kuhns, P. L.;Reyes, A. P.;Brooks, J. S.;Besara, T.;Siegrist, T.;Zheng, H.;Mitchell, J. F.;Hoch, M. J. R.;
7:5:37:11 Geometrical analysis of superstructures in YBaCo4O8.5 by electron diffraction
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7:5:37:12 Antiferromagnetic Ising model on the swedenborgite lattice
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7:5:37:13 Study of YBaCo4O7 (+) (delta) thin films grown by sputtering technique on (1012)-oriented sapphire substrates
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7:5:37:14 Spin-ordering and magnetoelastic coupling in the extended kagome system YBaCo4O7 (vol 83, 094412, 2011)
DOI:10.1103/PhysRevB.83.219902 JN:PHYSICAL REVIEW B PY:2011 TC:0 AU: Khalyavin, D. D.;Manuel, P.;Ouladdiaf, B.;Huq, A.;Zheng, H.;Mitchell, J. F.;Chapon, L. C.;
7:5:37:15 Spin-ordering and magnetoelastic coupling in the extended kagome system YBaCo4O7 (vol 83, 094412, 2011)
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7:5:37:16 Magnetic response of polycrystalline YBaCo4O7+delta synthesized through the physical and chemical route: The role of phase inhomogeneities
DOI:10.1016/j.jmmm.2014.01.049 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:0 AU: Vallejos, E.;Galeano, V.;Gomez, L.;Izquierdo, J. L.;Montoya, J. F.;Mera, J.;Cordoba, C.;Gomez, A.;Paucar, C.;Moran, O.;
7:5:37:17 Growing of YBaCo4O7+delta thin films on alpha-Al2O3 and SrTiO3 substrates by means of the pulsed laser deposition technique
DOI:10.1016/j.tsf.2013.07.057 JN:THIN SOLID FILMS PY:2013 TC:0 AU: Gomez, A.;Fuchs, D.;Moran, O.;
7:5:38:1 Magnetodielectric effect in EuZrO3
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7:5:38:2 Theoretical investigations on the magnetocaloric and barocaloric effects in TbyGd(1-y)Al2 series
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7:5:38:3 Magnetocaloric effects in Er1-xTbxAl2 alloys
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7:5:38:4 The exchange interaction values of perovskite-type materials EuTiO3 and EuZrO3
DOI:10.1063/1.4902167 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Hu, Ai-Yuan;Wang, Huai-Yu;
7:5:38:5 Anisotropic magnetocaloric effect in antiferromagnetic systems: Application to EuTiO3
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7:5:38:6 Investigation on the magnetocaloric effect in (Gd,Pr)Al-2 solid solutions
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7:5:38:7 The influence of magnetic and electric coupling properties on the magnetocaloric effect in quantum paraelectric EuTiO3
DOI:10.1016/j.jmmm.2011.11.037 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:3 AU: von Ranke, P. J.;Alho, B. P.;Nobrega, E. P.;de Sousa, V. S. R.;Alvarenga, T. S. T.;Carvalho, A. Magnus G.;de Oliveira, N. A.;
7:5:38:8 Structure and physical properties of EuTa2O6 tungsten bronze polymorph
DOI:10.1063/1.48930111 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Kolodiazhnyi, T.;Sakurai, H.;Vasylkiv, O.;Borodianska, H.;Forbes, S.;Mozharivskyj, Y.;
7:5:38:9 A discussion on the magnetization calculation in polycrystalline antiferromagnetic system: Application to EuTiO3
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7:5:38:10 The solid solution Gd(2)Ni(x)Cu(2-x)Mg: Large reversible magnetocaloric effect and a drastic change of the magnetism by substitution
DOI:10.1063/1.3466775 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:2 AU: Linsinger, Stefan;Hermes, Wilfried;Eul, Matthias;Poettgen, Rainer;
7:5:38:11 Theoretical investigation on the existence of inverse and direct magnetocaloric effect in perovskite EuZrO3
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7:5:38:12 Spin reorientation and the magnetocaloric effect in HoyEr(1-y)N
DOI:10.1063/1.4728201 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: von Ranke, P. J.;Alvarenga, T. S. T.;Alho, B. P.;Nobrega, E. P.;Ribeiro, P. O.;Carvalho, A. Magnus G.;de Sousa, V. S. R.;Caldas, A.;de Oliveira, N. A.;
7:5:38:13 Abnormal thermal conductivity in tetragonal tungsten bronze Ba6-xSrxNb10O30
DOI:10.1063/1.4868876 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Kolodiazhnyi, T.;Sakurai, H.;Vasylkiv, O.;Borodianska, H.;Mozharivskyj, Y.;
7:5:38:14 Magnetic properties and magnetocaloric effect in Nd5Si3 compound
DOI:10.1063/1.3359811 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:3 AU: Tian, Guang;Du, Honglin;Zhang, Yan;Xia, Yuanhua;Wang, Changsheng;Han, Jingzhi;Liu, Shunquan;Yang, Jinbo;
7:5:39:1 Giant magnetoelectric effect in HoAl3(BO3)(4)
DOI:10.1103/PhysRevB.83.180417 JN:PHYSICAL REVIEW B PY:2011 TC:10 AU: Liang, K. -C.;Chaudhury, R. P.;Lorenz, B.;Sun, Y. Y.;Bezmaternykh, L. N.;Temerov, V. L.;Chu, C. W.;
7:5:39:2 Direct and inverse magnetoelectric effects in HoAl3(BO3)(4) single crystal
DOI:10.1063/1.4874270 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Freydman, A. L.;Balaev, A. D.;Dubrovskiy, A. A.;Eremin, E. V.;Temerov, V. L.;Gudim, I. A.;
7:5:39:3 Single magnetic chirality in the magnetoelectric NdFe3((BO3)-B-11)(4)
DOI:10.1103/PhysRevB.81.094429 JN:PHYSICAL REVIEW B PY:2010 TC:24 AU: Janoschek, M.;Fischer, P.;Schefer, J.;Roessli, B.;Pomjakushin, V.;Meven, M.;Petricek, V.;Petrakovskii, G.;Bezmaternikh, L.;
7:5:39:4 First principles results on TbAl3(BO3)(4): A promising magneto-optical material
DOI:10.1063/1.3662176 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Saeed, Y.;Singh, N.;Schwingenschloegl, U.;
7:5:39:5 Magnetoelectricity and magnetostriction due to the rare-earth moment in TmAl3(BO3)(4)
DOI:10.1103/PhysRevB.81.220402 JN:PHYSICAL REVIEW B PY:2010 TC:11 AU: Chaudhury, R. P.;Lorenz, B.;Sun, Y. Y.;Bezmaternykh, L. N.;Temerov, V. L.;Chu, C. W.;
7:5:39:6 Quantum theory of magnetoelectricity in rare-earth multiferroics: Nd, Sm, and Eu ferroborates
DOI:10.1103/PhysRevB.87.024413 JN:PHYSICAL REVIEW B PY:2013 TC:7 AU: Popov, A. I.;Plokhov, D. I.;Zvezdin, A. K.;
7:5:39:7 Magnetoelectric responses from the respective magnetic R and Fe subsystems in the noncentrosymmetric antiferromagnets RFe3(BO3)(4) (R = Eu, Gd, and Tb)
DOI:10.1103/PhysRevB.89.195126 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Kurumaji, T.;Ohgushi, K.;Tokura, Y.;
7:5:39:8 Magnetic Frustration, Phase Competition, and the Magnetoelectric Effect in NdFe3(BO3)(4)
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7:5:39:9 High Eu 4f low-energy oscillator strength in the isostructural rare-earth Zintl compounds EuIn2X2 (X = P,As)
DOI:10.1063/1.3702787 JN:APPLIED PHYSICS LETTERS PY:2012 TC:8 AU: Singh, N.;Schwingenschloegl, U.;
7:5:39:10 The Faraday effect in TbFe3(BO3)(4) and TbAl3(BO3)(4) borates
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7:5:39:11 Nonresonant x-ray magnetic scattering on rare-earth iron borates RFe3(BO3)(4)
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7:5:39:12 Spectroscopic properties of HoAl3(BO3)(4) single crystal
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7:5:39:13 Short-range correlations and their thermal hysteresis in the paramagnetic phase of YFe3(BO3)(4)
DOI:10.1103/PhysRevB.83.140406 JN:PHYSICAL REVIEW B PY:2011 TC:1 AU: Rebbouh, L.;Desautels, R. D.;Ritter, C.;Cadogan, J. M.;Temerov, V.;Pankrats, A.;van Lierop, J.;
7:5:39:14 High-temperature magnetoelectricity of terbium aluminum borate: The role of excited states of the rare-earth ion
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7:5:39:15 Ab initio studies on the mechanism for linear and nonlinear optical effects in YAl(3)(BO(3))(4)
DOI:10.1063/1.3587571 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:8 AU: He, Ran;Lin, Z. S.;Lee, M. -H.;Chen, C. T.;
7:5:39:16 Role of the dimensionality of the [GaX](2) network in the Zintl phases EuGa2X2
DOI:10.1063/1.4767363 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Singh, Nirpendra;Poettgen, Rainer;Schwingenschloegl, Udo;
7:5:40:1 Magnetoelectric coupling in MnTiO3
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7:5:40:2 Magnetoelectric Effect in an XY-like Spin Glass System NixMn1-xTiO3
DOI:10.1103/PhysRevLett.108.057203 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:16 AU: Yamaguchi, Y.;Nakano, T.;Nozue, Y.;Kimura, T.;
7:5:40:3 Magnetoelectric coupling in the Haldane spin-chain system Dy2BaNiO5
DOI:10.1103/PhysRevB.88.094438 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Singh, Kiran;Basu, Tathamay;Chowki, S.;Mahapotra, N.;Iyer, Kartik K.;Paulose, P. L.;Sampathkumaran, E. V.;
7:5:40:4 Multiferroicity and magneto-electric effect in Gd2BaNiO5
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7:5:40:5 Coupling between phonon and crystal-field excitations in multiferroic PrFe3(BO3)(4)
DOI:10.1103/PhysRevB.90.121101 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Boldyrev, K. N.;Stanislavchuk, T. N.;Sirenko, A. A.;Bezmaternykh, L. N.;Popova, M. N.;
7:5:40:6 Magnetodielectric and magnetoelastic coupling in TbFe3(BO3)(4)
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7:5:40:7 Exchange interaction mediated ferroelectricity in multiferroic MnTiO3 with anisotropic orbital hybridization and hole delocalization
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7:5:40:8 Magnetic and dielectric properties of quasi-two-dimensional manganese oxide Sr7Mn4O15
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7:5:40:9 Korringa-like relaxation in the high-temperature phase of A-site ordered YBaMn2O6
DOI:10.1103/PhysRevB.85.205121 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Schaile, S.;von Nidda, H. -A. Krug;Deisenhofer, J.;Loidl, A.;Nakajima, T.;Ueda, Y.;
7:5:40:10 Magnetic and dielectric behavior of the spin-chain compound Er2BaNiO5 well below its Neel temperature
DOI:10.1063/1.4896171 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Basu, Tathamay;Singh, Kiran;Mohapatra, N.;Sampathkumaran, E. V.;
7:5:40:11 mu SR investigation of magnetically ordered states in the A-site ordered perovskite manganites RBaMn2O6 (R = Y and La)
DOI:10.1103/PhysRevB.86.125141 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Kawasaki, Y.;Minami, T.;Izumi, M.;Kishimoto, Y.;Ohno, T.;Satoh, K. H.;Koda, A.;Kadono, R.;Gavilano, J. L.;Luetkens, H.;Nakajima, T.;Ueda, Y.;
7:5:40:12 Thermodynamic studies on single-crystalline Gd2BaNiO5
DOI:10.1103/PhysRevB.85.174402 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Popova, E. A.;Klingeler, R.;Tristan, N.;Buechner, B.;Vasiliev, A. N.;
7:5:40:13 Giant dielectric response of Haldane gap compound Y2BaNiO5
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7:5:40:14 Spin glass behavior in A-site ordered YBaMn2O6 compound
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7:5:41:1 Electronic depiction of magnetic origin in undoped and Fe doped TiO2-d epitaxial thin films
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7:5:41:2 Signature of spin-phonon coupling in Sr2CoO4 thin film: A Raman spectroscopic study
DOI:10.1063/1.4800442 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Pandey, Pankaj K.;Choudhary, R. J.;Mishra, Dileep K.;Sathe, V. G.;Phase, D. M.;
7:5:41:3 Correlation induced half-metallicity in a ferromagnetic single-layered compound: Sr2CoO4
DOI:10.1103/PhysRevB.81.035114 JN:PHYSICAL REVIEW B PY:2010 TC:12 AU: Pandey, Sudhir K.;
7:5:41:4 Magnetic behavior of layered perovskite Sr2CoO4 thin film
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7:5:41:5 Anomalous temperature dependence in valence band spectra: A resonant photoemission study of layered perovskite Sr2CoO4
DOI:10.1063/1.4876058 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Pandey, Pankaj K.;Choudhary, R. J.;Phase, D. M.;
7:5:41:6 Transport and magnetotransport study of Mg doped ZnO thin films
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7:5:41:7 Valence band structure of YMnO3 and the spin orbit coupling
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7:5:41:8 Band offset measurements and magneto-transport properties of epitaxial TiO2-x (x=0.05)/La0.7Sr0.3MnO3 heterostructure
DOI:10.1063/1.4801845 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Choudhary, R. J.;Bapna, Komal;Phase, D. M.;
7:5:41:9 Type I and type II band alignments in ZnO/MgZnO bilayer films
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7:5:41:10 Resonant photoemission study of epitaxial La0.7Sr0.3MnO3 thin film across Curie temperature
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7:5:41:11 Density of states, magnetic and transport properties of Nd doped two dimensional perovskite compound Sr2CoO4
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7:5:41:12 Oxygen vacancies contained TiO2 spheres: facile fabrication and enhanced ferromagnetism
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7:5:41:13 Evolution of different structural phases of TiO2 fims with oxygen partial pressure and Fe doping and their electrical properties
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7:5:41:14 Magnetic properties and phonon behavior of Pr2NiMnO6 thin films
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7:5:42:1 Dielectric relaxation in the DyMn1-xFexO3 system
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7:5:42:2 Continuously tunable magnetic phase transitions in the DyMn1-xFexO3 system
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7:5:42:3 Small polaron migration associated multiple dielectric responses of multiferroic DyMnO3 polycrystal in low temperature region
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7:5:42:4 Temperature and frequency dependent giant magnetodielectric coupling in DyMn0.33Fe0.67O3
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7:5:42:5 Effect of Jahn-Teller distortion on magnetic ordering in Dy(Fe,Mn)O-3 perovskites
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7:5:42:6 A colossal dielectric constant of an amorphous TiO2:(Nb, In) film with low loss fabrication at room temperature
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7:5:42:7 Strong orbital polarization in orthorhombic DyMnO3: A combined x-ray linear dichroism and ab initio electronic structure study
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7:5:42:8 Dielectric response and magnetoelectric coupling in single crystal gallium ferrite
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7:5:42:9 Magnetocapacitance effect in nonmultiferroic YFeO3 single crystal
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7:5:42:10 Lanthanum doped multiferroic DyFeO3: Structural and magnetic properties
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7:5:42:11 Suppression of grain boundary relaxation in Zr-doped BiFeO3 thin films
DOI:10.1063/1.4879247 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Mukherjee, Somdutta;Srivastava, Amar;Gupta, Rajeev;Garg, Ashish;
7:5:42:12 Preparation of epitaxial DyFeO3 thin films and magnetodielectric coupling
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7:5:42:13 The demonstration of colossal magneto-capacitance effect with the promising gate stack characteristics on Ge (100) by the magnetic gate stack design
DOI:10.1063/1.4880206 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Liao, M. -H.;Huang, S. -C.;
7:5:43:1 Dynamical structure factor of the triangular-lattice antiferromagnet
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7:5:43:2 Instability of magnons in two-dimensional antiferromagnets at high magnetic fields
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7:5:43:3 Magnon Breakdown in a Two Dimensional Triangular Lattice Heisenberg Antiferromagnet of Multiferroic LuMnO3
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7:5:43:4 Field-induced decay dynamics in square-lattice antiferromagnets
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7:5:43:5 Field dependence of magnon decay in yttrium iron garnet thin films
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7:5:43:6 Dynamical structure factor of quasi-two-dimensional antiferromagnet in high fields
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7:5:43:7 Anomalously large damping of long-wavelength quasiparticles caused by long-range interaction
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7:5:43:8 Tunable rotons in square-lattice antiferromagnets under strong magnetic fields
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7:5:43:9 Role of dimensionality in spontaneous magnon decay: Easy-plane ferromagnet
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7:5:43:10 Renormalization of the spin-wave spectrum in three-dimensional ferromagnets with dipolar interaction (vol 74, 014435, 2006)
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7:5:43:11 Effects of magnetic field, anisotropy, and biquadratic interactions in type-IIA fcc antiferromagnets studied by linear spin-wave theory
DOI:10.1103/PhysRevB.85.054409 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Datta, Trinanjan;Yao, Dao-Xin;
7:5:43:12 Density functional analysis of the magnetic structures of Sr2MGe2O7 (M = Mn, Co)
DOI:10.1016/j.jmmm.2012.06.001 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:0 AU: Koo, Hyun-Joo;Lee, Changhoon;Whangbo, Myung-Hwan;
7:5:44:1 Spin-state transitions in CaFeSi2O6 and NaFeSi2O6 under pressure
DOI:10.1103/PhysRevB.83.214407 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Streltsov, S. V.;Skorikov, N. A.;
7:5:44:2 Ab initio investigation of the exchange interactions in Bi2Fe4O9: The Cairo pentagonal lattice compound
DOI:10.1103/PhysRevB.88.054424 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Pchelkina, Z. V.;Streltsov, S. V.;
7:5:44:3 Analysis of the Difference between the Pyroxenes LiFeSi2O6 and LiFeGe2O6 in Their Spin Order, Spin Orientation, and Ferrotoroidal Order
DOI:10.1021/cm5001413 JN:CHEMISTRY OF MATERIALS PY:2014 TC:2 AU: Lee, Changhoon;Kang, Jinhee;Hong, Jisook;Shim, Ji Hoon;Whangbo, Myung-Hwan;
7:5:44:4 Interplay between lattice, orbital, and magnetic degrees of freedom in the chain-polymer Cu(II) breathing crystals
DOI:10.1103/PhysRevB.87.024425 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Streltsov, S. V.;Petrova, M. V.;Morozov, V. A.;Romanenko, G. V.;Anisimov, V. I.;Lukzen, N. N.;
7:5:44:5 Theoretical prediction of Jahn-Teller distortions and orbital ordering in Cs2CuCl2Br2
DOI:10.1103/PhysRevB.86.035109 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Streltsov, S. V.;Khomskii, D. I.;
7:5:44:6 Jahn-Teller distortion and charge, orbital, and magnetic order in NaMn7O12
DOI:10.1103/PhysRevB.89.201115 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Streltsov, Sergey V.;Khomskii, Daniel I.;
7:5:44:7 Electronic properties of pyroxenes NaCrSi2O6 and NaFeSi2O6
DOI:10.1103/PhysRevB.81.045118 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Streltsov, S. V.;McLeod, J.;Moewes, A.;Redhammer, G. J.;Kurmaev, E. Z.;
7:5:44:8 Polymorphism and Multiferroicity in Bi1-x/3(Mn-3(III))((Mn4-xMnxIV)-Mn-III)O-12
DOI:10.1021/cm200879p JN:CHEMISTRY OF MATERIALS PY:2011 TC:3 AU: Mezzadri, Francesco;Buzzi, Michele;Pernechele, Chiara;Calestani, Gianluca;Solzi, Massimo;Migliori, Andrea;Gilioli, Edmondo;
7:5:44:9 First-principles study of pressure-induced magnetic transition in siderite FeCO3
DOI:10.1016/j.jallcom.2011.08.079 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:4 AU: Ming, Xing;Wang, Xiao-Lan;Du, Fei;Yin, Jian-Wu;Wang, Chun-Zhong;Chen, Gang;
7:5:44:10 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
DOI:10.1103/PhysRevB.82.064110 JN:PHYSICAL REVIEW B PY:2010 TC:20 AU: Lavina, Barbara;Dera, Przemyslaw;Downs, Robert T.;Yang, Wenge;Sinogeikin, Stanislav;Meng, Yue;Shen, Guoyin;Schiferl, David;
7:5:44:11 Muon-spin relaxation and heat capacity measurements on the magnetoelectric and multiferroic pyroxenes LiFeSi2O6 and NaFeSi2O6
DOI:10.1103/PhysRevB.81.214403 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Baker, P. J.;Lewtas, H. J.;Blundell, S. J.;Lancaster, T.;Franke, I.;Hayes, W.;Pratt, F. L.;Bohaty, L.;Becker, P.;
7:5:44:12 Symmetry replication and toroidic effects in the multiferroic pyroxene NaFeSi2O6
DOI:10.1103/PhysRevB.81.214417 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Mettout, Bruno;Toledano, Pierre;Fiebig, Manfred;
7:5:44:13 Crystal and Magnetic Structures and Physical Properties of a New Pyroxene NaMnGe2O6 Synthesized under High Pressure
DOI:10.1021/ja312038g JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2013 TC:2 AU: Cheng, Jinguang;Tian, Wei;Zhou, Jianshi;Lynch, Vincent M.;Steinfink, Hugo;Manthiram, Arumugam;May, Andrew F.;Garlea, Vasile O.;Neuefeind, Joerg C.;Yan, Jiaqiang;
7:5:44:14 Influence of exchange correlation on the symmetry and properties of siderite according to density-functional theory
DOI:10.1103/PhysRevB.82.205121 JN:PHYSICAL REVIEW B PY:2010 TC:5 AU: Badaut, V.;Zeller, P.;Dorado, B.;Schlegel, M. L.;
7:5:44:15 High-pressure structural behaviour of Cu0.5Fe0.5Cr2S4: An experimental and theoretical study
DOI:10.1016/j.jallcom.2013.05.123 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:0 AU: Waskowska, A.;Gerward, L.;Olsen, J. Staun;Svane, A.;Vaitheeswaran, G.;Kanchana, V.;
7:5:44:16 Calculation of the spectral, structural, and electronic properties of NaCrSi2O6 and LiCrSi2O6 crystals
DOI:10.1016/j.optmat.2013.03.011 JN:OPTICAL MATERIALS PY:2013 TC:0 AU: Brik, M. G.;Avram, N. M.;Gruia, A. S.;
7:5:45:1 High magnetic field induced phases and half-magnetization plateau in the S=1 kagome compound Ni3V2O8
DOI:10.1103/PhysRevB.84.220407 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Wang, Junfeng;Tokunaga, M.;He, Z. Z.;Yamaura, J. I.;Matsuo, A.;Kindo, K.;
7:5:45:2 Magnetic-field-induced shift of the optical band gap in Ni3V2O8
DOI:10.1103/PhysRevB.89.165120 JN:PHYSICAL REVIEW B PY:2014 TC:2 AU: Chen, P.;Holinsworth, B. S.;O'Neal, K. R.;Brinzari, T. V.;Mazumdar, D.;Wang, Y. Q.;McGill, S.;Cava, R. J.;Lorenz, B.;Musfeldt, J. L.;
7:5:45:3 Control of the multiferroic transition in Ni3V2O8 by transition metal doping
DOI:10.1103/PhysRevB.84.064447 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Kumarasiri, A.;Lawes, G.;
7:5:45:4 Stabilization of multiferroic spin cycloid in Ni3V2O8 by light Co doping
DOI:10.1103/PhysRevB.88.174412 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Qureshi, N.;Ressouche, E.;Mukhin, A. A.;Ivanov, V. Yu;Barilo, S. N.;Shiryaev, S. V.;Skumryev, V.;
7:5:45:5 Incommensurability and spin dynamics in the low-temperature phases of Ni3V2O8
DOI:10.1103/PhysRevB.87.214418 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Ehlers, G.;Podlesnyak, A. A.;Hahn, S. E.;Fishman, R. S.;Zaharko, O.;Frontzek, M.;Kenzelmann, M.;Pushkarev, A. V.;Shiryaev, S. V.;Barilo, S.;
7:5:45:6 Electronic structure of the kagome staircase compounds Ni3V2O8 and Co3V2O8
DOI:10.1103/PhysRevB.87.125133 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Laverock, J.;Chen, B.;Preston, A. R. H.;Smith, K. E.;Wilson, N. R.;Balakrishnan, G.;Glans, P. -A.;Guo, J. -H.;
7:5:45:7 Kagome staircase compound Co3V2O8 in an applied magnetic field: Single-crystal neutron diffraction study
DOI:10.1103/PhysRevB.82.104409 JN:PHYSICAL REVIEW B PY:2010 TC:3 AU: Petrenko, O. A.;Wilson, N. R.;Balakrishnan, G.;Paul, D. Mck;McIntyre, G. J.;
7:5:45:8 Electric field control of multiferroic domains in Ni3V2O8 imaged by x-ray polarization-enhanced topography
DOI:10.1103/PhysRevB.82.024434 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Fabrizi, F.;Walker, H. C.;Paolasini, L.;de Bergevin, F.;Fennell, T.;Rogado, N.;Cava, R. J.;Wolf, Th;Kenzelmann, M.;McMorrow, D. F.;
7:5:45:9 Magnetoelastic coupling in magnetically frustrated Co3V2O8
DOI:10.1103/PhysRevB.81.012403 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Vergara, L. I.;Cao, J.;Tung, L. -C.;Rogado, N.;Yen, F.;Wang, Y. Q.;Cava, R. J.;Lorenz, B.;Wang, Y. -J.;Musfeldt, J. L.;
7:5:45:10 Magnetic order and fluctuations in the presence of quenched disorder in the kagome staircase system (Co1-xMgx)(3)V2O8
DOI:10.1103/PhysRevB.86.174421 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Fritsch, K.;Yamani, Z.;Chang, S.;Qiu, Y.;Copley, J. R. D.;Ramazanoglu, M.;Dabkowska, H. A.;Gaulin, B. D.;
7:5:45:11 Electronic Structure and Magnetic Properties of ( Co1-x TMx) 3V2O8, ( TM= Mn, Mg and Zn) Compounds
DOI:10.1080/00150193.2014.889976 JN:FERROELECTRICS PY:2014 TC:0 AU: Jezierski, A.;Kaczkowski, J.;Szymczak, R.;Szymczak, H.;
7:5:45:12 Complex magnetoelastic properties in the frustrated kagome-staircase compounds (Co1-xNix)(3)V2O8
DOI:10.1103/PhysRevB.84.184429 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Zhang, Q.;Knafo, W.;Adelmann, P.;Schweiss, P.;Grube, K.;Qureshi, N.;Wolf, Th.;v. Loehneysen, H.;Meingast, C.;
7:5:45:13 V-51 NMR study of the kagome staircase compound Ni3V2O8
DOI:10.1103/PhysRevB.81.144404 JN:PHYSICAL REVIEW B PY:2010 TC:5 AU: Ogloblichev, V.;Kumagai, K.;Verkhovskii, S.;Yakubovsky, A.;Mikhalev, K.;Furukawa, Yu.;Gerashenko, A.;Smolnikov, A.;Barilo, S.;Bychkov, G.;Shiryaev, S.;
7:5:45:14 Crystal growth and characterization of the magnetically dilute kagome staircase system (Co(1-x)Mgx)(3)V2O8
DOI:10.1016/j.jcrysgro.2011.05.008 JN:JOURNAL OF CRYSTAL GROWTH PY:2011 TC:2 AU: Fritsch, K.;Ramazanoglu, M.;Dabkowska, H. A.;Gaulin, B. D.;
7:5:46:1 Glassy magnetic phase driven by short-range charge and magnetic ordering in nanocrystalline La1/3Sr2/3FeO3-delta: Magnetization, Mossbauer, and polarized neutron studies
DOI:10.1103/PhysRevB.86.104416 JN:PHYSICAL REVIEW B PY:2012 TC:7 AU: Sabyasachi, Sk.;Patra, M.;Majumdar, S.;Giri, S.;Das, S.;Amaral, V. S.;Iglesias, O.;Borghols, W.;Chatterji, T.;
7:5:46:2 Colossal magnetocapacitance near room temperature in ferromagnetic Cr2O3 film
DOI:10.1063/1.4817734 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Ghosh, A.;Dey, K.;Sabyasachi, Sk.;Karmakar, A.;Majumdar, S.;Giri, S.;
7:5:46:3 Structural correlation to magnetodielectricity and coercivity at room temperature in multiferroic Bi0.7Ba0.3-xPbxFeO3
DOI:10.1016/j.actamat.2012.10.004 JN:ACTA MATERIALIA PY:2013 TC:2 AU: Dey, K.;Majumdar, S.;Giri, S.;
7:5:46:4 Particle-size effects on the suppression of charge ordering in Nd0.8Na0.2MnO3
DOI:10.1063/1.3675532 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Samantaray, B.;Srivastava, S. K.;Ravi, S.;
7:5:46:5 Strain induced enhanced ferromagnetic behavior in inhomogeneous low doped La0.95Sr0.05MnO3+delta
DOI:10.1063/1.4793657 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Das, S.;Amaral, J. S.;De, K.;Willinger, M.;Goncalves, J. N.;Roy, A.;Dhak, P.;Giri, S.;Majumder, S.;Silva, C. J. R.;Gomes, M. J. M.;Mahapatra, P. K.;Amaral, V. S.;
7:5:46:6 Structural correlation to spontaneous electric and magnetic order in multiferroic LiCr0.99Fe0.01O2
DOI:10.1016/j.scriptamat.2013.11.032 JN:SCRIPTA MATERIALIA PY:2014 TC:2 AU: Dey, K.;Karmakar, A.;Majumdar, S.;Giri, S.;
7:5:46:7 Neutron scattering study of magnetic phase separation in nanocrystalline La5/8Ca3/8MnO3
DOI:10.1103/PhysRevB.84.144401 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Dhital, Chetan;de la Cruz, Clarina;Opeil, C.;Treat, A.;Wang, K. F.;Liu, J. -M.;Ren, Z. F.;Wilson, Stephen D.;
7:5:46:8 Origin of spin-glass and exchange bias in La1/3Sr2/3FeO3-gamma nanoparticles
DOI:10.1063/1.4868685 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: da Silva, R. B.;de Araujo, J. H.;Soares, J. M.;Machado, F. L. A.;
7:5:46:9 Constricted double loop hysteresis and exchange bias attributed to the surface anisotropy in nanocrystalline La1/3Sr2/3Fe1-xCrxO3
DOI:10.1016/j.jmmm.2013.05.023 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:0 AU: Sabyasachi, Sk.;Patra, M.;Majumdar, S.;Giri, S.;
7:5:46:10 Magnetodielectric response of square-coordinated MnO2 unit in cubic BiMn7O12
DOI:10.1063/1.3551540 JN:APPLIED PHYSICS LETTERS PY:2011 TC:2 AU: Imamura, N.;Singh, K.;Pelloquin, D.;Simon, Ch.;Sasagawa, T.;Karppinen, M.;Yamauchi, H.;Maignan, A.;
7:5:46:11 Shifted loops and coercivity from field-imprinted high-energy barriers in ferritin and ferrihydrite nanoparticles
DOI:10.1103/PhysRevB.84.104427 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Silva, N. J. O.;Amaral, V. S.;Urtizberea, A.;Bustamante, R.;Millan, A.;Palacio, F.;Kampert, E.;Zeitler, U.;de Brion, S.;Iglesias, O.;Labarta, A.;
7:5:46:12 Reentrant spin glass behaviour in Nd0.84K0.12MnO3
DOI:10.1016/j.jmmm.2010.01.030 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:1 AU: Samantaray, B.;Ravi, S.;
7:5:46:13 Magnetic dynamics of charge ordered Nd0.80Na0.20MnO3 compound
DOI:10.1016/j.jmmm.2011.05.050 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:2 AU: Samantaray, B.;Srivastava, S. K.;Ravi, S.;
7:5:47:1 Chiral Domains in Cycloidal Multiferroic Thin Films: Switching and Memory Effects
DOI:10.1103/PhysRevLett.107.257601 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:8 AU: Fina, I.;Fabrega, L.;Marti, X.;Sanchez, F.;Fontcuberta, J.;
7:5:47:2 Stability of spin-driven ferroelectricity in the thin-film limit: Coupling of magnetic and electric order in multiferroic TbMnO3 films
DOI:10.1103/PhysRevB.88.054401 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Glavic, Artur;Becher, Carsten;Voigt, Joerg;Schierle, Enrico;Weschke, Eugen;Fiebig, Manfred;Brueckel, Thomas;
7:5:47:3 Phase coexistence and magnetically tuneable polarization in cycloidal multiferroics
DOI:10.1103/PhysRevB.88.100403 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Fina, I.;Skumryev, V.;O'Flynn, D.;Balakrishnan, G.;Fontcuberta, J.;
7:5:47:4 Exchange bias in multiferroic BiFeO3 and YMnO3 multilayers: One more parameter for magnetoelectric manipulation
DOI:10.1016/j.scriptamat.2011.04.016 JN:SCRIPTA MATERIALIA PY:2011 TC:8 AU: Cheng, Z. X.;Zhao, H. Y.;Du, Y.;Kimura, H.;Ozawa, K.;Wang, X. L.;
7:5:47:5 Strain-driven noncollinear magnetic ordering in orthorhombic epitaxial YMnO3 thin films
DOI:10.1063/1.3514575 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:13 AU: Marti, X.;Skumryev, V.;Laukhin, V.;Bachelet, R.;Ferrater, C.;Garcia-Cuenca, M. V.;Varela, M.;Sanchez, F.;Fontcuberta, J.;
7:5:47:6 Observation of large electric polarization in orthorhombic TmMnO3 thin films
DOI:10.1063/1.3524500 JN:APPLIED PHYSICS LETTERS PY:2010 TC:8 AU: Han, T. C.;Chao, H. H.;
7:5:47:7 Correlation between the mobility of domain wall and polarization flop direction in a slanted magnetic field in the helimagnetic ferroelectrics Tb1-xDyxMnO3
DOI:10.1103/PhysRevB.83.060403 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Abe, N.;Taniguchi, K.;Sagayama, H.;Umetsu, H.;Arima, T.;
7:5:47:8 Spin-helicity-dependent magnetic domain growth in a spin-driven multiferroic under applied electric field
DOI:10.1103/PhysRevB.82.064418 JN:PHYSICAL REVIEW B PY:2010 TC:3 AU: Nakajima, Taro;Mitsuda, Setsuo;Takahashi, Keiichiro;Yamazaki, Hiroe;Yoshitomi, Keisuke;Soda, Minoru;Matsuura, Masato;Hirota, Kazuma;
7:5:47:9 Microstructure and strain relaxation of orthorhombic TmMnO3 epitaxial thin films
DOI:10.1016/j.jcrysgro.2011.11.031 JN:JOURNAL OF CRYSTAL GROWTH PY:2012 TC:1 AU: Yu, Y.;Zhang, X.;Yang, J. J.;Wang, J. W.;Zhao, Y. G.;
7:5:47:10 Stability of spin-driven ferroelectricity in the thin-film limit: Coupling of magnetic and electric order in multiferroic TbMnO3 films (vol 88, 054401, 2013)
DOI:10.1103/PhysRevB.88.059904 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Glavic, Artur;Becher, Carsten;Voigt, Joerg;Schierle, Enrico;Weschke, Eugen;Fiebig, Manfred;Brueckel, Thomas;
7:5:47:11 Multiferroic domain structure in orthorhombic multiferroics of cycloidal spin order: Phase field simulations
DOI:10.1063/1.4739426 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Chu, P.;Chen, D. P.;Liu, J. -M.;
7:5:48:1 Magnetic Phases of a Highly Frustrated Magnet, ZnCr2O4, up to an Ultrahigh Magnetic Field of 600 T
DOI:10.1103/PhysRevLett.107.207203 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:13 AU: Miyata, Atsuhiko;Ueda, Hiroaki;Ueda, Yutaka;Sawabe, Hironobu;Takeyama, Shojiro;
7:5:48:2 Interplay of spin and lattice degrees of freedom in the frustrated antiferromagnet CdCr2O4: High-field and temperature-induced anomalies of the elastic constants
DOI:10.1103/PhysRevB.83.184421 JN:PHYSICAL REVIEW B PY:2011 TC:10 AU: Bhattacharjee, Subhro;Zherlitsyn, S.;Chiatti, O.;Sytcheva, A.;Wosnitza, J.;Moessner, R.;Zhitomirsky, M. E.;Lemmens, P.;Tsurkan, V.;Loidl, A.;
7:5:48:3 Magnetization plateaus of the spin-1/2 kagome antiferromagnets volborthite and vesignieite
DOI:10.1103/PhysRevB.83.180407 JN:PHYSICAL REVIEW B PY:2011 TC:15 AU: Okamoto, Yoshihiko;Tokunaga, Masashi;Yoshida, Hiroyuki;Matsuo, Akira;Kindo, Koichi;Hiroi, Zenji;
7:5:48:4 Magnetic superfluid state in the frustrated spinel oxide CdCr2O4 revealed by ultrahigh magnetic fields
DOI:10.1103/PhysRevB.87.214424 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Miyata, Atsuhiko;Takeyama, Shojiro;Ueda, Hiroaki;
7:5:48:5 Magnetostructural Transitions in a Frustrated Magnet at High Fields
DOI:10.1103/PhysRevLett.106.247202 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:7 AU: Tsurkan, V.;Zherlitsyn, S.;Felea, V.;Yasin, S.;Skourski, Yu.;Deisenhofer, J.;von Nidda, H. -A. Krug;Lemmens, P.;Wosnitza, J.;Loidl, A.;
7:5:48:6 Universal Magnetic Structure of the Half-Magnetization Phase in Cr-Based Spinels
DOI:10.1103/PhysRevLett.104.047201 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:10 AU: Matsuda, M.;Ohoyama, K.;Yoshii, S.;Nojiri, H.;Frings, P.;Duc, F.;Vignolle, B.;Rikken, G. L. J. A.;Regnault, L. -P.;Lee, S. -H.;Ueda, H.;Ueda, Y.;
7:5:48:7 Large change in the exchange interactions of HgCr2O4 under very high magnetic fields
DOI:10.1103/PhysRevB.83.214401 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Kimura, Shojiro;Hagiwara, Masayuki;Takeuchi, Tetsuya;Yamaguchi, Hironori;Ueda, Hiroaki;Ueda, Yutaka;Kindo, Koichi;
7:5:48:8 Magnetic field and pressure effects on magnetism of bond-frustrated ZnCr2S4
DOI:10.1016/j.jmmm.2013.03.010 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:1 AU: Xie, Y. M.;Yang, Z. R.;Zhang, Z. T.;Shen, C.;Li, L.;Ling, L. S.;Pi, L.;Sun, Y. P.;Zhang, Y. H.;
7:5:48:9 Chiral magnetism and helimagnons in a pyrochlore antiferromagnet
DOI:10.1103/PhysRevB.87.054418 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Choi, Eunsong;Chern, Gia-Wei;Perkins, Natalia B.;
7:5:48:10 Magnetic properties of frustrated pyrochlore fluorides Cd2M2F6S (M = Fe, Co, and Ni)
DOI:10.1103/PhysRevB.84.214411 JN:PHYSICAL REVIEW B PY:2011 TC:0 AU: Ueda, Hiroaki;Numa, Shoko;Matsuo, Akira;Kindo, Koichi;Ueda, Yutaka;
7:5:49:1 The high-resolution powder diffractometer at the high flux isotope reactor
DOI:10.1007/s00339-010-5603-6 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:28 AU: Garlea, V. O.;Chakoumakos, B. C.;Moore, S. A.;Taylor, G. B.;Chae, T.;Maples, R. G.;Riedel, R. A.;Lynn, G. W.;Selby, D. L.;
7:5:49:2 Intralayer Cation Ordering in a Brownmillerite Superstructure: Synthesis, Crystal, and Magnetic Structures of Ca2FeCoO5
DOI:10.1021/cm1023025 JN:CHEMISTRY OF MATERIALS PY:2010 TC:15 AU: Ramezanipour, Farshid;Greedan, John E.;Grosvenor, Andrew P.;Britten, James F.;Cranswick, Lachlan M. D.;Garlea, V. Ovidiu;
7:5:49:3 Unexpected magnetism, Griffiths phase, and exchange bias in the mixed lanthanide Pr0.6Er0.4Al2
DOI:10.1103/PhysRevB.89.224411 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Pathak, Arjun K.;Paudyal, D.;Jayasekara, W. T.;Calder, S.;Kreyssig, A.;Goldman, A. I.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;
7:5:49:4 Complex room-temperature ferrimagnetism induced by zigzag stripes of oxygen vacancies in Sr3YCo4O10+delta
DOI:10.1103/PhysRevB.83.140403 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Khalyavin, D. D.;Chapon, L. C.;Suard, E.;Parker, J. E.;Thompson, S. P.;Yaremchenko, A. A.;Kharton, V. V.;
7:5:49:5 Structural and magnetic properties of the cobaltate series (BaSr)(4-x)La2xCo4O15
DOI:10.1103/PhysRevB.86.094434 JN:PHYSICAL REVIEW B PY:2012 TC:0 AU: Garlea, V. O.;Jin, R.;Garlea, E.;Ehlers, G.;Mamontov, E.;Myers, D. B.;Xie, F.;Custelcean, R.;
7:5:49:6 Combined X-ray and neutron diffraction Rietveld refinement in iron-substituted nano-hydroxyapatite
DOI:10.1007/s10853-013-7148-5 JN:JOURNAL OF MATERIALS SCIENCE PY:2013 TC:2 AU: Kyriacou, A.;Leventouri, Th.;Chakoumakos, B. C.;Garlea, V. O.;dela Cruz, C. B.;Rondinone, A. J.;Sorge, K. D.;
7:5:49:7 mu SR study of short-range magnetic order in the paramagnetic regime of ErCo2
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7:5:49:8 Complex magnetic behavior of the sawtooth Fe chains in Rb2Fe2O(AsO4)(2)
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7:5:49:9 Study of the antiferromagnetism of Mn5Si3: an inverse magnetocaloric effect material
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7:5:49:10 The effect of the B-site cation and oxygen stoichiometry on the local and average crystal and magnetic structures of Sr2Fe1.9M0.1O5+y (M = Mn, Cr, Co; y=0, 0.5)
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7:5:49:11 Synthesis and structural characterization of Fe3+-doped calcium hydroxyapatites: role of precursors and synthesis method
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7:5:49:12 Origin of the Room-Temperature Ferromagnetism in Sr3YCo4O10+delta (0.5 < delta < 1.0): Formation of Ferromagnetic Spin Bags in the Oxygen-Rich Perovskite Layers
DOI:10.1021/cm302007q JN:CHEMISTRY OF MATERIALS PY:2012 TC:1 AU: Bettis, Jerry L., Jr.;Xiang, Hongjun;Whangbo, Myung-Hwan;
7:5:49:13 Short-range structure of the brownmillerite-type oxide Ba2In2O5 and its hydrated proton-conducting form BaInO3H
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7:5:49:14 Fluorine insertion reactions of the brownmillerite materials Sr2Fe2O5, Sr2CoFeO5, and Sr2Co2O5
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7:5:49:15 In situ powder XRD and Mossbauer study of Fe-Co supported on CaCO3
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7:5:50:1 Emergence of ferromagnetism in antiferromagnetic TbMnO3 by epitaxial strain
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7:5:50:2 Uncompensated magnetization and exchange-bias field in La0.7Sr0.3MnO3/YMnO3 bilayers: The influence of the ferromagnetic layer
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7:5:50:3 Structural, magnetic and electric properties of HoMnO3 films on SrTiO3(001)
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7:5:50:4 Off-Stoichiometry Effects on the Crystalline and Defect Structure of Hexagonal Manganite REMnO3 Films (RE = V, Er, Dy)
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7:5:50:5 Dielectric anomalies in orthorhombic YMnO3 thin films
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7:5:50:6 Exchange bias: Dependence on the properties of the ferromagnetic interface layer
DOI:10.1103/PhysRevB.82.094432 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Usadel, K. D.;Stamps, R. L.;
7:5:50:7 Angular dependence of the magnetoelectric effect in orthorhombic HoMnO3 films
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7:5:50:8 Strain and lattice distortion in (110)-epitaxial orthorhombic TbMnO3 multiferroic thin films grown by pulsed laser deposition
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7:5:50:9 Magnetic properties of Al doped TbMnO3 thin films grown by pulsed laser deposition
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7:5:50:10 Structure and defect characterization of multiferroic ReMnO3 films and multilayers by TEM
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7:5:50:11 Spin disorder dependence of the exchange bias effect
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7:5:50:12 Ferromagnetic response of multiferroic TbMnO3 films mediated by epitaxial strain and chemical pressure
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7:5:50:13 Magnetodielectric and dielectric properties of orthorhombic HoMnO3 thin films
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7:5:51:1 Magnetic order of the hexagonal rare-earth manganite Dy0.5Y0.5MnO3
DOI:10.1103/PhysRevB.84.064434 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Helton, Joel S.;Singh, Deepak K.;Nair, Harikrishnan S.;Elizabeth, Suja;
7:5:51:2 Mutual induction of magnetic 3d and 4f order in multiferroic hexagonal ErMnO3
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7:5:51:3 Incompatible magnetic order in multiferroic hexagonal DyMnO3
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7:5:51:4 Spin reorientation and spin-flop transition in multiferroic manganites Y1-xTbxMnO3 (x=0, 0.1, 0.2) single crystals
DOI:10.1063/1.4704691 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Li, H. N.;Huang, J. W.;Xiao, L. X.;Peng, L. P.;Wu, Y. Y.;Du, G. H.;Ouyang, Z. W.;Chen, B. R.;Xia, Z. C.;
7:5:51:5 Effect of substitution of Y on the structural, magnetic, and thermal properties of hexagonal DyMnO3 single crystals
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7:5:51:6 Magnetic phase competition in Dy1-xYxMnO3
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7:5:51:7 Single crystal growth of the hexagonal manganites R MnO3 (R = rare earth) by the optical floating-zone method
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7:5:51:8 Phase diagram and dynamics in Er1-xYxMnO3
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7:5:52:1 Structural and magnetic properties of multiferroic bulk TbMnO3
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7:5:52:2 Ga substitution as an effective variation of Mn-Tb coupling in multiferroic TbMnO3
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7:5:52:3 Structural effects of Sc doping on the multiferroic TbMnO3
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7:5:52:4 Pressure-induced change in the magnetic ordering of TbMnO3
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7:5:52:5 Suppression of ferroelectricity and quantum fluctuations in Ru-doped TbMnO3
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7:5:52:6 Landau model for the phase diagrams of the orthorhombic rare-earth manganites RMnO3 (R = Eu, Gd, Tb, Dy, Ho)
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7:5:52:7 Effects of Al substitution on the multiferroic properties of TbMnO3
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7:5:52:8 Role of t(2g) electrons in Mn-Tb coupling of multiferroic TbMnO3
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7:5:52:9 Phase relationship of the TbO1.81-Mn3O4-Fe2O3 system synthesized at 1200 degrees C
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7:5:53:1 Multiferroics and Magnetoelectrics: A Comparison between Some Chromites and Cobaltites
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7:5:53:2 Magnetism of layered chromium sulfides MCrS2 (M = Li, Na, K, Ag, and Au): A first-principles study
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7:5:53:3 Magnetoelastic coupling and unconventional magnetic ordering in the multiferroic triangular lattice AgCrS2
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7:5:53:4 Spin dynamics in the unconventional multiferroic AgCrS2
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7:5:53:5 Suppression of geometric frustration by magnetoelastic coupling in AuCrS2
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7:5:53:6 The Dice-Stone Der Wurfelstein: Some Personal Souvenirs Around the Discovery of the First Ferromagnetic Ferroelectric
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7:5:53:7 Unified calculations of the optical band positions and EPR g factors for NaCrS2 crystal
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7:5:54:1 Ion-Beam Etching on Nanostructured La2Ti2O7 Piezoelectric Thin Films
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7:5:54:2 Enhancement of ferroelectricity in Cr-doped Ho2Ti2O7
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7:5:54:3 Ferroelectricity in La2Zr2O7 thin films with a frustrated pyrochlore-type structure
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7:5:54:4 Microstructure and Nanoscale Piezoelectric/Ferroelectric Properties in La2Ti2O7 Thin Films Grown on (110)-Oriented Doped Nb:SrTiO3 Substrates
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7:5:54:5 Multiferroicity in spin ice Ho2Ti2O7: An investigation on single crystals
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7:5:54:6 Evidence of ferroelectricity in metastable Sm2Ti2O7 thin film
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7:5:54:7 Stability limit of the layered-perovskite structure in Ln(2)Ti(2)O(7) (Ln = lanthanide) thin films grown on (110)-oriented SrTiO3 substrates by the sol-gel route
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7:5:54:8 Emergent order in the spin-frustrated system DyxTb2-xTi2O7 studied by ac susceptibility measurements
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7:5:54:9 Thickness effect on nanoscale electromechanical activity in Pb(Mg1/3Nb2/3)O-3-PbTiO3 thin films studied by piezoresponse force microscopy
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7:5:54:10 Microstructure and nanoscale piezoelectric/ferroelectric properties in Ln(2)Ti(2)O(7) (Ln = La, Pr and Nd) oxide thin films grown by pulsed laser deposition
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7:5:55:1 Spin-glassy behavior and exchange bias effect of hexagonal YMnO3 nanoparticles fabricated by hydrothermal process
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7:5:55:2 Structural transformation and charge transfer induced ferroelectricity and magnetism in annealed YMnO3
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7:5:55:3 Synthesis, annealing effect and magnetic behavior of TbMnO3 nanoparticles
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7:5:55:4 Mechanochemical synthesis of yttrium manganite
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7:5:55:5 Effect of particle size and annealing on spin and phonon behavior in TbMnO3
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7:5:55:6 Low temperature hydrothermal synthesis and magnetic studies of YMnO3 nanorods
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7:5:55:7 Size effect on magnetic properties of hexagonal HoMnO3 nanoparticles
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7:5:55:8 A New Ferroelectric Phase of YMnO3 Induced by Oxygen- Vacancy Ordering
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7:5:55:9 The effect of annealing temperatures on morphologies and photoluminescence properties of terbium-doped SiCN films
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7:5:56:1 Relaxor behavior in multiferroic BiMn2O5 ceramics
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7:5:56:2 Revisit of the Vogel-Fulcher freezing in lead magnesium niobate relaxors
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7:5:56:3 Contribution of an extrinsic mechanism for the electrical polarization in BiMn2O5 ceramics
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7:5:56:4 Comment on "Revisit of the Vogel-Fulcher freezing in lead magnesium niobate relaxors" [Appl. Phys. Lett. 97, 132905, (2010)]
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7:5:56:5 Dielectric relaxations and magnetodielectric response in BiMn2O5 single crystal
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7:5:56:6 Effect of Eu substitution on the crystallographic and magnetic properties of the BiMn2O5 oxide obtained by urea combustion
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7:5:56:7 Dielectric relaxation of Sr1-1.5xBixTiO3 sol-gel thin films
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7:5:56:8 Low-temperature dielectric behavior of BiFeO3-modified CaTiO3 incipient ferroelectric ceramics
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7:5:56:9 First-principles study of the magnetic stability and the exchange couplings of LaMn2O5
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7:5:56:10 Origin of the multiferroicity in BiMn2O5 from first-principles calculations
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7:5:56:11 Effect of NaNbO3 substitution on the quantum paraelectric behavior of CaTiO3
DOI:10.1103/PhysRevB.81.212101 JN:PHYSICAL REVIEW B PY:2010 TC:1 AU: Tripathi, Saurabh;Kumar, Anil;Waghmare, Umesh V.;Pandey, Dhananjai;
7:5:56:12 Magnetic properties of pure and Eu-doped hematite nanoparticles
DOI:10.1007/s11051-013-2118-z JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2013 TC:1 AU: Allia, P.;Barrera, G.;Bonelli, B.;Freyria, F. S.;Tiberto, P.;
7:5:57:1 Electrical transport in charge-ordered Fe2OBO3: Resistive switching and pressure effects
DOI:10.1103/PhysRevB.82.165106 JN:PHYSICAL REVIEW B PY:2010 TC:2 AU: Akrap, Ana;Angst, Manuel;Khalifah, Peter;Mandrus, David;Sales, Brian C.;Forro, Laszlo;
7:5:57:2 Charge-ordering transition and incommensurate antiphase structure of Fe2BO4 as seen via transmission electron microscopy
DOI:10.1103/PhysRevB.81.020101 JN:PHYSICAL REVIEW B PY:2010 TC:6 AU: Song, Y. J.;Yang, H. X.;Tian, H. F.;Ma, C.;Qin, Y. B.;Zeng, L. J.;Shi, H. L.;Lu, J. B.;Li, J. Q.;
7:5:57:3 Polar Nanodomains and Giant Converse Magnetoelectric Effect in Charge-Ordered Fe2OBO3
DOI:10.1103/PhysRevLett.106.016406 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:5 AU: Yang, H. X.;Tian, H. F.;Song, Y. J.;Qin, Y. B.;Zhao, Y. G.;Ma, C.;Li, J. Q.;
7:5:57:4 Charge ordered state and structural distortions in Fe2OBO3
DOI:10.1103/PhysRevB.86.045111 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Chen, Z.;Ma, C.;Song, Y. J.;Yang, H. X.;Tian, H. F.;Li, J. Q.;
7:5:57:5 Pressure-induced suppression of charge order and nanosecond valence dynamics in Fe2OBO3
DOI:10.1103/PhysRevB.86.195134 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Hearne, G. R.;Sibanda, W. N.;Carleschi, E.;Pischedda, V.;Attfield, J. P.;
7:5:57:6 Strong nonlinear current-voltage behaviour in iron oxyborate
DOI:10.1063/1.4901177 JN:AIP ADVANCES PY:2014 TC:0 AU: Song, Yuanjun;Xu, Yingying;Song, Yujun;Li, Jianqi;Wang, Rongming;
7:5:57:7 Symmetry and charge order in Fe2OBO3 studied through polarized resonant x-ray diffraction
DOI:10.1103/PhysRevB.82.115110 JN:PHYSICAL REVIEW B PY:2010 TC:4 AU: Bland, S. R.;Angst, M.;Adiga, S.;Scagnoli, V.;Johnson, R. D.;Herrero-Martin, J.;Hatton, P. D.;
7:5:57:8 Wigner-Mott insulator-to-insulator transition at pressure in charge-ordered Fe2OBO3
DOI:10.1103/PhysRevB.89.035132 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Diguet, G.;Hearne, G. R.;Sibanda, W. N.;Carleschi, E.;Musyimi, P.;Pischedda, V.;Attfield, J. P.;
7:5:58:1 Cross-Control of Magnetization and Polarization by Electric and Magnetic Fields with Competing Multiferroic and Weak-Ferromagnetic Phases
DOI:10.1103/PhysRevLett.105.097201 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:36 AU: Choi, Y. J.;Zhang, C. L.;Lee, N.;Cheong, S-W;
7:5:58:2 Exchange bias effect in multiferroic Eu0.75Y0.25MnO3
DOI:10.1016/j.jmmm.2012.03.054 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:3 AU: Yan, Li-Qin;Wang, Fen;Zhao, Yuelei;Zou, Tao;Shen, Jun;Sun, Young;
7:5:58:3 Orbital degrees of freedom as origin of magnetoelectric coupling in magnetite
DOI:10.1103/PhysRevB.85.085131 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Yamauchi, Kunihiko;Picozzi, Silvia;
7:5:58:4 Exchange bias effect in Tb0.4Dy0.6MnO3
DOI:10.1016/j.jmmm.2013.03.022 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:0 AU: Xu, M. H.;Wang, Z. H.;Zhang, D. W.;Du, Y. W.;
7:5:58:5 Interplay between Charge Order, Ferroelectricity, and Ferroelasticity: Tungsten Bronze Structures as a Playground for Multiferroicity
DOI:10.1103/PhysRevLett.105.107202 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:12 AU: Yamauchi, Kunihiko;Picozzi, Silvia;
7:5:58:6 Charge-orbital ordering and ferroelectric polarization in multiferroic TbMn2O5 from first principles
DOI:10.1103/PhysRevB.84.024421 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Chang, Tay-Rong;Jeng, Horng-Tay;Ren, Chung-Yuan;Hsue, Chen-Shiung;
7:5:59:1 Universal Exchange-Driven Phonon Splitting in Antiferromagnets
DOI:10.1103/PhysRevLett.108.177203 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:9 AU: Kant, Ch;Schmidt, M.;Wang, Zhe;Mayr, F.;Tsurkan, V.;Deisenhofer, J.;Loidl, A.;
7:5:59:2 Sensitivity of the magnetic properties of the ZnCr2O4 and MgCr2O4 spinels to nonstoichiometry
DOI:10.1103/PhysRevB.83.064407 JN:PHYSICAL REVIEW B PY:2011 TC:13 AU: Dutton, S. E.;Huang, Q.;Tchernyshyov, O.;Broholm, C. L.;Cava, R. J.;
7:5:59:3 Spin-lattice coupling in the frustrated antiferromagnet ZnCr2Se4 probed by ultrasound
DOI:10.1103/PhysRevB.86.104420 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Felea, V.;Yasin, S.;Guenther, A.;Deisenhofer, J.;von Nidda, H. -A. Krug;Zherlitsyn, S.;Tsurkan, V.;Lemmens, P.;Wosnitza, J.;Loidl, A.;
7:5:59:4 Evolution of the optical properties of chromium spinels CdCr2O4, HgCr2S4, and ZnCr2Se4 under high pressure
DOI:10.1103/PhysRevB.89.125107 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Rabia, K.;Baldassarre, L.;Deisenhofer, J.;Tsurkan, V.;Kuntscher, C. A.;
7:5:59:5 Effects of anisotropic charge on transverse optical phonons in NiO: Inelastic x-ray scattering spectroscopy study
DOI:10.1103/PhysRevB.81.241103 JN:PHYSICAL REVIEW B PY:2010 TC:2 AU: Uchiyama, H.;Tsutsui, S.;Baron, A. Q. R.;
7:5:59:6 Potential asymmetry in antiferromagnetic 3d transition metal monoxides
DOI:10.1103/PhysRevB.85.014419 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Uchiyama, H.;
7:5:59:7 Optical floating zone crystal growth and magnetic properties of MgCr2O4
DOI:10.1016/j.jcrysgro.2013.09.005 JN:JOURNAL OF CRYSTAL GROWTH PY:2013 TC:1 AU: Koohpayeh, S. M.;Wen, J. -J.;Mourigal, M.;Dutton, S. E.;Cava, R. J.;Broholm, C. L.;McQueen, T. M.;
7:5:59:8 Study of negative thermal expansion in the frustrated spinel ZnCr2Se4
DOI:10.1063/1.4867217 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Chen, X. L.;Yang, Z. R.;Tong, W.;Huang, Z. H.;Zhang, L.;Zhang, S. L.;Song, W. H.;Pi, L.;Sun, Y. P.;Tian, M. L.;Zhang, Y. H.;
7:5:60:1 Structural and phonon dynamical properties of perovskite manganites: (Tb, Dy, Ho)MnO3
DOI:10.1016/j.jmmm.2011.01.026 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:10 AU: Choithrani, Renu;Rao, Mala N.;Chaplot, S. L.;Gaur, N. K.;Singh, R. K.;
7:5:60:2 Interface-induced magnetic coupling in multiferroic/ferromagnetic bilayer: An ultrafast pump-probe study
DOI:10.1063/1.4870580 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: La-o-Vorakiat, C.;Tian, Y.;Wu, T.;Panagopoulos, C.;Zhu, J-X;Su, Haibin;Chia, Elbert E. M.;
7:5:60:3 Coexistence of coupled magnetic phases in epitaxial TbMnO3 films revealed by ultrafast optical spectroscopy
DOI:10.1063/1.4754294 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Qi, J.;Yan, L.;Zhou, H. D.;Zhu, J. -X.;Trugman, S. A.;Taylor, A. J.;Jia, Q. X.;Prasankumar, R. P.;
7:5:60:4 Two-component heat diffusion observed in LaMnO3 and La0.7Ca0.3MnO3
DOI:10.1103/PhysRevB.81.064434 JN:PHYSICAL REVIEW B PY:2010 TC:5 AU: Bielecki, J.;Rauer, R.;Zanghellini, E.;Gunnarsson, R.;Dorr, K.;Borjesson, L.;
7:5:60:5 Measurement of Two Low-Temperature Energy Gaps in the Electronic Structure of Antiferromagnetic USb2 Using Ultrafast Optical Spectroscopy
DOI:10.1103/PhysRevLett.111.057402 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:4 AU: Qi, J.;Durakiewicz, T.;Trugman, S. A.;Zhu, J. -X.;Riseborough, P. S.;Baumbach, R.;Bauer, E. D.;Gofryk, K.;Meng, J. -Q.;Joyce, J. J.;Taylor, A. J.;Prasankumar, R. P.;
7:5:60:6 Coexistence of coupled magnetic phases in epitaxial TbMnO3 films revealed by ultrafast optical spectroscopy (vol 101, 122904, 2012)
DOI:10.1063/1.4821740 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Qi, J.;Yan, L.;Zhou, H. D.;Zhu, J. -X.;Trugman, S. A.;Taylor, A. J.;Jia, Q. X.;Prasankumar, R. P.;
7:5:60:7 Specific heat of Cd-doped manganites
DOI:10.1016/j.commatsci.2010.02.045 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2010 TC:3 AU: Choithrani, Renu;Gaur, N. K.;
7:5:60:8 Influence of growth ambience and doping on the structural properties of multiferroic DyMnO3
DOI:10.1016/j.jcrysgro.2012.05.043 JN:JOURNAL OF CRYSTAL GROWTH PY:2013 TC:0 AU: Nair, Harikrishnan S.;Elizabeth, Suja;
7:5:61:1 Induced magnetism and magnetoelectric coupling in ferroelectric BaTiO3 by Cr-doping synthesized by a facile chemical route
DOI:10.1039/c3ta11845b JN:JOURNAL OF MATERIALS CHEMISTRY A PY:2013 TC:10 AU: Shah, Jyoti;Kotnala, Ravinder K.;
7:5:61:2 Multiferroicity and magnetoelectric coupling in half-doped manganite La0.5Ca0.5MnO3
DOI:10.1063/1.3485669 JN:APPLIED PHYSICS LETTERS PY:2010 TC:12 AU: Zou, Tao;Wang, Fen;Liu, Yi;Yan, Li-Qin;Sun, Young;
7:5:61:3 Room temperature magnetoelectric coupling enhancement in Mg-substituted polycrystalline GdFeO3
DOI:10.1016/j.scriptamat.2012.05.003 JN:SCRIPTA MATERIALIA PY:2012 TC:5 AU: Shah, Jyoti;Kotnala, Ravinder Kumar;
7:5:61:4 Anomalous dielectric constant of half-doped manganite La0.5Ca0.5MnO3
DOI:10.1016/j.jallcom.2013.03.101 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:0 AU: Cao, Xian-Sheng;Ji, Gao-Feng;Luo, Bing-chen;Li, Feng;
7:5:61:5 Multiferroic BaTiO3-CoFe2O4 Nano Composite Thin Films Grown by Polymer-Assisted Deposition
DOI:10.1080/10584587.2011.616416 JN:INTEGRATED FERROELECTRICS PY:2011 TC:2 AU: Yan, L. H.;Liang, W. Z.;Liu, S. H.;Huang, W.;Lin, Y.;
7:5:62:1 Atomic Layer Deposition of oriented nickel titanate (NiTiO3)
DOI:10.1016/j.apsusc.2014.05.092 JN:APPLIED SURFACE SCIENCE PY:2014 TC:0 AU: Bratvold, Jon E.;Fjellvag, Helmer;Nilsen, Ola;
7:5:62:2 Investigations on the temperature dependent electrical and magnetic properties of NiTiO3 by molten salt synthesis
DOI:10.1016/j.materresbull.2012.12.001 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:8 AU: Yuvaraj, S.;Nithya, V. D.;Fathima, K. Saiadali;Sanjeeviraja, C.;Selvan, G. Kalai;Arumugam, S.;Selvan, R. Kalai;
7:5:62:3 Fabrication and Characterization of High-k Dielectric Nickel Titanate Thin Films Using a Modified Sol-Gel Method
DOI:10.1111/j.1551-2916.2010.04037.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:15 AU: Chuang, Shiow-Huey;Hsieh, Min-Lung;Wu, Shih-Chieh;Lin, Hong-Cai;Chao, Tien-Sheng;Hou, Tuo-Hung;
7:5:62:4 Electronic, magnetic and dielectric properties of multiferroic MnTiO3
DOI:10.1557/jmr.2012.101 JN:JOURNAL OF MATERIALS RESEARCH PY:2012 TC:6 AU: Deng, Xiaohui;Lu, Wei;Wang, Hai;Huang, Haitao;Dai, Jiyan;
7:5:62:5 Preparation of zinc titanate nanoparticles and their photocatalytic behaviors in the photodegradation of humic acid in water
DOI:10.1016/j.ceramint.2012.01.078 JN:CERAMICS INTERNATIONAL PY:2012 TC:7 AU: Wang, Ya-wen;Yuan, Pei-Hong;Fan, Cai-Mei;Wang, Yan;Ding, Guang-Yue;Wang, Yun-Fang;
7:5:62:6 Epitaxial growth of NiTiO3 with a distorted ilmenite structure
DOI:10.1016/j.tsf.2012.04.060 JN:THIN SOLID FILMS PY:2012 TC:9 AU: Varga, Tamas;Droubay, Timothy C.;Bowden, Mark E.;Nachimuthu, Ponnusamy;Shutthanandan, Vaithiyalingam;Bolin, Trudy B.;Shelton, William A.;Chambers, Scott A.;
7:5:62:7 Microstructures and Dielectric Properties of MgTiO3 Thick Film Prepared Using Aerosol Deposition Method
DOI:10.1080/00150193.2012.740284 JN:FERROELECTRICS PY:2012 TC:4 AU: Wu, Yu-Chuan;Wang, Sea-Fue;Teng, Li-Gia;
7:5:62:8 Dielectric and A.C Conductivity Behaviour of Flux Grown Nickel Titanate (NiTiO3) Crystal
DOI:10.1080/00150193.2011.531217 JN:FERROELECTRICS PY:2011 TC:5 AU: Bamzai, K. K.;Gupta, Vineeta;Kotru, P. N.;Wanklyn, B. M.;
7:5:63:1 Phonon anomalies and possible local lattice distortions in giant magnetocapacitive CdCr2S4
DOI:10.1103/PhysRevB.84.045106 JN:PHYSICAL REVIEW B PY:2011 TC:10 AU: Gnezdilov, V.;Lemmens, P.;Pashkevich, Yu G.;Payen, Ch;Choi, K. Y.;Hemberger, J.;Loidl, A.;Tsurkan, V.;
7:5:63:2 Multiple pressure-induced transitions in HgCr2S4
DOI:10.1063/1.4830225 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Efthimiopoulos, Ilias;Yaresko, Alexander;Tsurkan, Vladimir;Deisenhofer, Joachim;Loidl, Alois;Park, Changyong;Wang, Yuejian;
7:5:63:3 Pressurizing the HgCr2Se4 spinel at room temperature
DOI:10.1063/1.4861591 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Efthimiopoulos, Ilias;Yaresko, Alexander;Tsurkan, Vladimir;Deisenhofer, Joachim;Loidl, Alois;Park, Changyong;Wang, Yuejian;
7:5:63:4 Critical magnetic behavior of ferromagnetic CdCr2S4
DOI:10.1103/PhysRevB.88.144417 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Tsurkan, V.;Ehlers, D.;Felea, V.;von Nidda, H. -A. Krug;Loidl, A.;
7:5:63:5 Dynamic off-centering of Cr3+ ions and short-range magneto-electric clusters in CdCr2S4
DOI:10.1103/PhysRevB.86.224418 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;
7:5:63:6 Local symmetry lowering in CdMn2O4 spinel
DOI:10.1063/1.4903949 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Oliveira, G. N. P.;Teixeira, R.;Mendonca, T. M.;Silva, M. R.;Correia, J. G.;Lopes, A. M. L.;Araujo, J. P.;
7:5:63:7 Intricate relationship between pressure-induced electronic and structural transformations in FeCr2S4
DOI:10.1103/PhysRevB.84.224114 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Amiel, Y.;Rozenberg, G. Kh.;Nissim, N.;Milner, A.;Pasternak, M. P.;Hanfland, M.;Taylor, R. D.;
7:5:63:8 Intrinsic anomalous magnetic anisotropy of CdCr2S4
DOI:10.1103/PhysRevB.86.174423 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;Phonon softening and dispersion in EuTiO3;PHYSICAL REVIEW B;86;22;220301;10.1103/PhysRevB.86.220301;DEC 4 2012;2012;We measured phonon dispersion in single-crystal EuTiO3 using inelastic;x-ray scattering. Astructural transition to an antiferrodistortive phase;was found at a critical temperature T-0 = 287 +/- 1K using powder and;single-crystal x-ray diffraction. Clear softening of the zone boundary;R-point q = (0.5 0.5 0.5) acoustic phonon shows this to be a displacive;transition. The mode energy plotted against reduced temperature could be;seen to nearly overlap that of SrTiO3, suggesting a universal scaling;relation. Phonon dispersion was measured along Gamma-X (0 0 0) -> (0.5 0;0). Mode eigenvectors were obtained from a shell model consistent with;the q dependence of intensity and energy, which also showed that the;dispersion is nominally the same as in SrTiO3 at room temperature, but;corrected for mass. The lowest-energy optical mode, determined to be of;Slater character, softens approximately linearly with temperature until;the 70-100 K range where the softening stops, and at low temperature,;the mode disperses linearly near the zone center.;7;0;0;0;7;1098-0121;WOS:000311910600001;;;J;Fock, J.;Leijnse, M.;Jennum, K.;Zyazin, A. S.;Paaske, J.;Hedegard, P.;Nielsen, M. Brondsted;van der Zant, H. S. J.;Manipulation of organic polyradicals in a single-molecule transistor;PHYSICAL REVIEW B;86;23;235403;10.1103/PhysRevB.86.235403;DEC 4 2012;2012;Inspired by cotunneling spectroscopy of spin-states in a single;OPE5-based molecule, we investigate the prospects for electric control;of magnetism in purely organic molecules contacted in a three-terminal;geometry. Using the gate electrode, the molecule is reversibly switched;between three different redox states, with magnetic spectra revealing;both ferromagnetic and antiferromagnetic exchange couplings on the;molecule. These observations are shown to be captured by an effective;low-energy Heisenberg model, which we substantiate microscopically by a;simple valence bond description of the molecule. These preliminary;findings suggest an interesting route towards functionalized all-organic;molecular magnetism.;Fock, Jeppe/A-9074-2011;Fock, Jeppe/0000-0002-7515-4026;3;0;0;0;3;1098-0121;WOS:000311911100003;;;J;Li, P. H. Y.;Bishop, R. F.;Campbell, C. E.;Farnell, D. J. J.;Goetze, O.;Richter, J.;Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice;PHYSICAL REVIEW B;86;21;214403;10.1103/PhysRevB.86.214403;DEC 4 2012;2012;We use the coupled-cluster method to study the zero-temperature;properties of an extended two-dimensional Heisenberg antiferromagnet;formed from spin-1/2 moments on an infinite spatially anisotropic kagome;lattice of corner-sharing isosceles triangles, with nearest-neighbor;bonds only. The bonds have exchange constants J(1) > 0 along two of the;three lattice directions and J(2) = kappa J(1) > 0 along the third. In;the classical limit, the ground-state (GS) phase for kappa < 1/2 has;collinear ferrimagnetic (Neel') order where the J(2)-coupled chain spins;are ferromagnetically ordered in one direction with the remaining spins;aligned in the opposite direction, while for kappa > 1/2 there exists an;infinite GS family of canted ferrimagnetic spin states, which are;energetically degenerate. For the spin-1/2 case, we find that quantum;analogs of both these classical states continue to exist as stable GS;phases in some regions of the anisotropy parameter kappa, namely, for 0;< kappa < kappa(c1) for the Neel' state and for (at least part of) the;region kappa > kappa(c2) for the canted phase. However, they are now;separated by a paramagnetic phase without either sort of magnetic order;in the region kappa(c1) < kappa < kappa(c2), which includes the;isotropic kagome point kappa = 1 where the stable GS phase is now;believed to be a topological (Z(2)) spin liquid. Our best numerical;estimates are kappa(c1) = 0.515 +/- 0.015 and kappa(c2) = 1.82 +/- 0.03.;Richter, Johannes/A-6339-2009; Bishop, Raymond/D-9715-2012;Bishop, Raymond/0000-0001-5565-0658;4;0;0;0;4;1098-0121;WOS:000311910100002;;;J;Monozon, B. S.;Schmelcher, P.;Bound and resonant impurity states in a narrow gapped armchair graphene;nanoribbon;PHYSICAL REVIEW B;86;24;245404;10.1103/PhysRevB.86.245404;DEC 4 2012;2012;An analytical study of discrete and resonant impurity quasi-Coulomb;states in a narrow gapped armchair graphene nanoribbon (GNR) is;performed. We employ the adiabatic approximation assuming that the;motions parallel ("slow") and perpendicular ("fast") to the boundaries;of the ribbon are separated adiabatically. The energy spectrum comprises;a sequence of series of quasi-Rydberg levels relevant to the slow motion;adjacent from the low energies to the size-quantized levels associated;with the fast motion. Only the series attributed to the ground;size-quantized subband is really discrete, while others corresponding to;the excited subbands consist of quasidiscrete (Fano resonant) levels of;nonzero energetic widths, caused by the coupling with the states of the;continuous spectrum branching from the low lying subbands. In the;two-and three-subband approximation the spectrum of the complex energies;of the impurity electron is derived in an explicit form. Narrowing the;GNR leads to an increase of the binding energy and the resonant width;both induced by the finite width of the ribbon. Displacing the impurity;center from the midpoint of the GNR causes the binding energy to;decrease, while the resonant width of the first excited Rydberg series;increases. As for the second excited series, their widths become;narrower with the shift of the impurity. A successful comparison of our;analytical results with those obtained by other theoretical and;experimental methods is presented. Estimates of the binding energies and;the resonant widths taken for the parameters of typical GNRs show that;not only the strictly discrete but also some resonant states are quite;stable and could be studied experimentally in doped GNRs.;Monozon, Boris/E-6412-2012; Schmelcher, Peter/D-9592-2014;Schmelcher, Peter/0000-0002-2637-0937;0;0;0;0;0;1098-0121;WOS:000311911900002;;;J;Thiaville, Andre;Vukadinovic, Nicolas;Acher, Olivier;Sum rule for the magnetic permeability of arbitrary textures;PHYSICAL REVIEW B;86;21;214404;10.1103/PhysRevB.86.214404;DEC 4 2012;2012;The f-sum rule for the magnetic permeability, derived previously for an;assembly of isolated macrospins, is generalized for an arbitrary;nonuniform three-dimensional magnetization texture, in which the;magnetizations at different points are coupled by exchange and;magnetostatic interactions. The sum value depends only on the magnetic;texture at rest. It has no direct contribution from the exchange energy,;but depends on the anisotropy, applied field, and demagnetizing;energies. The derived formula is tested against numerical calculations;for several complex and very different magnetization structures. This;generalized sum rule should be useful for experiments, numerical;simulations, and metrology.;1;0;0;0;1;1098-0121;WOS:000311910100003;;;J;Troc, R.;Gajek, Z.;Pikul, A.;Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as;seen in magnetic, transport, and specific-heat data;PHYSICAL REVIEW B;86;22;224403;10.1103/PhysRevB.86.224403;DEC 4 2012;2012;Single-crystalline UGe2 was investigated by means of magnetic;susceptibility, magnetization, electrical resistivity,;magnetoresistivity, and specific-heat measurements, all carried out in;wide temperature and magnetic-field ranges. An analysis of the obtained;data points out the dual behavior of the 5f electrons in this compound,;i. e., possessing simultaneously local and itinerant characters in two;substates. The magnetic and thermal characteristics of the compound were;modeled using the effective crystal field (CF) in the intermediate;coupling scheme and initial parameters obtained in the angular overlap;model. Various configurations of the localized 5f(n) (n = 1, 2, and 3);electrons on the uranium ion have been probed. The best results were;obtained for the 5f(2) (U4+) configuration. The CF parameters obtained;in the paramagnetic region allowed us to reproduce satisfactorily the;experimental findings in the whole temperature range including also the;magnitude of the ordered magnetic moment of uranium at low temperature.;The electrical resistivity data after subtraction of the phonon;contribution reveal the presence of a Kondo-like interaction in UGe2;supporting the idea of partial localization of the 5f electrons in UGe2.;On the other hand, magnetoresistivity and an excess of specific heat;originated from the hybridized (itinerant) part of 5f states, apparent;around the characteristic temperature T*, give a distinct signature for;the presence of the coupled charge-density wave and spin-density wave;fluctuations over all the ferromagnetic region with a maximum at T*,;postulated earlier in the literature.;7;0;0;0;7;1098-0121;WOS:000311910600004;;;J;Williams, T. J.;Yamani, Z.;Butch, N. P.;Luke, G. M.;Maple, M. B.;Buyers, W. J. L.;Neutron scattering study of URu2-xRexSi2 (x=0.10): Driving order towards;quantum criticality;PHYSICAL REVIEW B;86;23;235104;10.1103/PhysRevB.86.235104;DEC 4 2012;2012;We report inelastic neutron scattering measurements in the hidden order;state of URu2-xRexSi2 with x = 0.10. We observe that towards the;ferromagnetic quantum critical point induced by the negative chemical;pressure of Re doping, the gapped incommensurate fluctuations are robust;and comparable in intensity to the parent material. As the Re doping;moves the system toward the quantum critical point, the commensurate;spin fluctuations related to hidden order weaken, display a shortened;lifetime, and slow down. Halfway to the quantum critical point, the;hidden order phase survives, albeit weakened, in contrast to its;destruction by hydrostatic pressure and by positive chemical pressure;from Rh doping.;yamani, zahra/B-7892-2012; Luke, Graeme/A-9094-2010;0;0;0;0;0;1098-0121;WOS:000311911100001;;;J;Wolfowicz, Gary;Simmons, Stephanie;Tyryshkin, Alexei M.;George, Richard E.;Riemann, Helge;Abrosimov, Nikolai V.;Becker, Peter;Pohl, Hans-Joachim;Lyon, Stephen A.;Thewalt, Mike L. W.;Morton, John J. L.;Decoherence mechanisms of Bi-209 donor electron spins in isotopically;pure Si-28;PHYSICAL REVIEW B;86;24;245301;10.1103/PhysRevB.86.245301;DEC 4 2012;2012;Bismuth (Bi-209) is the deepest group V donor in silicon and possesses;the most extreme characteristics such as a 9/2 nuclear spin and a 1.5;GHz hyperfine coupling. These lead to several potential advantages for a;Si:Bi donor electron spin qubit compared to the more common phosphorus;donor. Most previous studies on Si: Bi have been performed using natural;silicon where linewidths and electron spin coherence times are limited;by the presence of Si-29 impurities. Here, we describe electron spin;resonance (ESR) and electron nuclear double resonance (ENDOR) studies on;Bi-209 in isotopically pure Si-28. ESR and ENDOR linewidths, transition;probabilities, and coherence times are understood in terms of the spin;Hamiltonian parameters showing a dependence on field and m(I) of the;Bi-209 nuclear spin. We explore various decoherence mechanisms;applicable to the donor electron spin, measuring coherence times up to;700 ms at 1.7 K at X band, comparable with Si-28:P. Importantly, the;coherence times we measure follow closely to the calculated field;gradients of the transition frequencies (df/dB), providing a strong;motivation to explore "clock" transitions where coherence lifetimes;could be further enhanced.;Morton, John/I-3515-2013;6;1;0;0;6;1098-0121;WOS:000311911900001;;;J;Armbruster, Oskar;Lungenschmied, Christoph;Bauer, Siegfried;Investigation of trap states and mobility in organic semiconductor;devices by dielectric spectroscopy: Oxygen-doped P3HT:PCBM solar cells;PHYSICAL REVIEW B;86;23;235201;10.1103/PhysRevB.86.235201;DEC 3 2012;2012;We investigate the dielectric response of solar cell devices based on;oxygen-doped poly(3-hexylthiophene):[6,6]-phenyl-C-61-butyric acid;methyl ester (P3HT:PCBM) blends as a function of temperature between 133;K and 303 K. The spectra are analyzed using a recently introduced model;[O. Armbruster, C. Lungenschmied, and S. Bauer, Phys. Rev. B 84, 085208;(2011)] which is based on a trapping and reemission mechanism of charge;carriers. A dominating trap depth of 130 meV is determined and the;broadening of this trap level identified as purely thermal. In addition;we estimate the density of charge carriers after doping as well as their;mobility. We show that the concentration of mobile holes approximately;doubles by heating the device from the lowest to the highest measured;temperature. This is indicative of a second, shallow trap level of;approximately 14 meV. Dielectric spectroscopy hence proves to be a;valuable tool to assess device parameters such as dopant concentration,;charge carrier transport characteristics, and mobility which are of;crucial interest for understanding degradation in organic semiconductor;devices.;Bauer, Siegfried/A-2354-2009; Armbruster, Oskar/G-1154-2014;Armbruster, Oskar/0000-0002-4235-4451;3;0;0;0;3;1098-0121;WOS:000311806300004;;;J;Chen, Bo;Abbey, Brian;Dilanian, Ruben;Balaur, Eugeniu;van Riessen, Grant;Junker, Mark;Tran, Chanh Q.;Jones, Michael W. M.;Peele, Andrew G.;McNulty, Ian;Vine, David J.;Putkunz, Corey T.;Quiney, Harry M.;Nugent, Keith A.;Diffraction imaging: The limits of partial coherence;PHYSICAL REVIEW B;86;23;235401;10.1103/PhysRevB.86.235401;DEC 3 2012;2012;Coherent diffraction imaging (CDI) typically requires that the source;should be highly coherent both laterally and longitudinally. In this;paper, we demonstrate that lateral and longitudinal partial coherence;can be successfully included in a CDI reconstruction algorithm;simultaneously using experimental x-ray data. We study the interplay;between lateral partial coherence and longitudinal partial coherence and;their relative influence on CDI. We compare our results against the;coherence criteria published by Spence et al. [Spence et al.,;Ultramicroscopy 101, 149 (2004)] and show that for iterative ab initio;phase-recovery algorithms based on those typically used in CDI and in;cases where the coherence properties are known, we are able to relax the;minimal coherence requirements by a factor of 2 both laterally and;longitudinally, potentially yielding significant reduction in exposure;time.;Jones, Michael/M-6895-2013; Abbey, Brian/D-3274-2011;Jones, Michael/0000-0002-0720-8715;;5;1;0;0;5;1098-0121;WOS:000311806300008;;;J;Gawarecki, Krzysztof;Lueker, Sebastian;Reiter, Doris E.;Kuhn, Tilmann;Glaessl, Martin;Axt, Vollrath Martin;Grodecka-Grad, Anna;Machnikowski, Pawel;Dephasing in the adiabatic rapid passage in quantum dots: Role of;phonon-assisted biexciton generation;PHYSICAL REVIEW B;86;23;235301;10.1103/PhysRevB.86.235301;DEC 3 2012;2012;We study the evolution of an exciton confined in a quantum dot;adiabatically controlled by a frequency-swept (chirped) laser pulse in;the presence of carrier-phonon coupling. We focus on the dynamics;induced by a linearly polarized beam and analyze the decoherence due to;phonon-assisted biexciton generation. We show that if the biexciton;state is shifted down by a few meV, as is typically the case, then the;resulting decoherence is strong even at low temperatures. As a result,;efficient state preparation is restricted to a small parameter area;corresponding to low temperatures, positive chirps, and moderate pulse;areas.;Kuhn, Tilmann/C-1190-2008;6;0;0;0;6;1098-0121;WOS:000311806300006;;;J;Hellstrom, Matti;Spangberg, Daniel;Hermansson, Kersti;Broqvist, Peter;Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface;PHYSICAL REVIEW B;86;23;235302;10.1103/PhysRevB.86.235302;DEC 3 2012;2012;The formation of Cu dimers on the ZnO(10 (1) over bar0) surface has been;studied using hybrid density functional theory. Depending on the;adsorption site, Cu atoms are found to adsorb with either oxidation;state 0 or +1. In the latter case, the Cu atom has donated an electron;to the ZnO conduction band. The two modes of adsorption display similar;stability at low coverages, while at higher coverages the neutral;species is more stable. Single Cu atoms diffuse across the ZnO(10 (1);over bar0) surface with small barriers of migration (0.3-0.4 eV) along;ZnO[1 (2) over bar 10], repeatedly switching their oxidation states,;while the barrier along ZnO[0001] is significantly higher (>1.5 eV). The;formation of a Cu dimer from two adsorbed Cu atoms is energetically;favorable with two competing structures of similar stability, both being;charge neutral. The minimum energy paths for Cu atom diffusion and dimer;formation are characterized by at least one of the two Cu atoms being in;oxidation state 0.;5;0;0;0;5;1098-0121;WOS:000311806300007;;;J;Huang, Yu-Kun;Chen, Pochung;Kao, Ying-Jer;Accurate computation of low-temperature thermodynamics for quantum spin;chains;PHYSICAL REVIEW B;86;23;235102;10.1103/PhysRevB.86.235102;DEC 3 2012;2012;We apply the biorthonormal transfer-matrix renormalization group (BTMRG);[Huang, Phys. Rev. E 83, 036702 (2011)] to study low-temperature;properties of quantum spin chains. Simulations on anisotropic Heisenberg;spin-1/2 chains demonstrate that the BTMRG outperforms the conventional;transfer-matrix renormalization group by successfully accessing far;lower temperature than previously reported, while retaining the same;level of accuracy. The power of the method is further illustrated by the;calculation of the low-temperature specific heat for a frustrated spin;chain.;Kao, Ying Jer/B-5297-2009; Chen, Pochung/G-1241-2010;Kao, Ying Jer/0000-0002-3329-6018;;4;0;0;0;4;1098-0121;WOS:000311806300002;;;J;Kim, Jin Hee;Rhyee, Jong-Soo;Kwon, Yong Seung;Magnon gap formation and charge density wave effect on thermoelectric;properties in the SmNiC2 compound;PHYSICAL REVIEW B;86;23;235101;10.1103/PhysRevB.86.235101;DEC 3 2012;2012;We studied the electrical, thermal, and thermoelectric properties of the;polycrystalline compound of SmNiC2. The electrical resistivity and;magnetization measurement show the interplay between the charge density;wave at T-CDW = 150 K and the ferromagnetic ordering of T-c = 18 K.;Below the ferromagnetic transition temperature, we observed the magnon;gap formation of Delta similar or equal to 4.3- 4.4 meV by rho(T) and;C-p (T) measurements. The charge density wave is attributed to the;increase of the Seebeck coefficient resulting in the increase of the;power factor S-2 sigma. The thermal conductivity anomalously increases;with increasing temperature along the whole measured temperature range,;which implies the weak attribution of Umklapp phonon scattering. The;thermoelectric figure of merit ZT significantly increases due to the;increase of the power factor at T-CDW = 150 K. Here we argue that the;competing interaction between electron-phonon and electron-magnon;couplings exhibits the unconventional behavior of electrical and thermal;properties.;6;0;1;0;6;1098-0121;WOS:000311806300001;;;J;Osorio-Guillen, J. M.;Larrauri-Pizarro, Y. D.;Dalpian, G. M.;Pressure-induced metal-insulator transition and absence of magnetic;order in FeGa3 from a first-principles study;PHYSICAL REVIEW B;86;23;235202;10.1103/PhysRevB.86.235202;DEC 3 2012;2012;The intermetallic compound FeGa3 is a narrow-gap semiconductor with a;measured gap between 0.2 and 0.6 eV. The presence of iron d states on;the top of the valence band and on the bottom of the conduction band,;together with its moderate electronic correlation (U/W similar to 0.6),;have led to the question of whether there is magnetic order in this;compound. We have examined the possible presence of magnetism in FeGa3;as well as its electronic structure at high pressures, using the density;functional theory (DFT) + U method with the intermediated;double-counting scheme. We have found that for an optimized value of the;Yukawa screening length., there is no magnetic moment on the iron ions;(mu = 0), implying that FeGa3 is nonmagnetic. We have also found that;around a pressure of 25 GPa a metal-insulator transition takes place.;Osorio-Guillen, Jorge/B-7587-2008; Dalpian, Gustavo/B-9746-2008;Osorio-Guillen, Jorge/0000-0002-7384-8999;;3;0;0;0;3;1098-0121;WOS:000311806300005;;;J;Yuan, Xun;Zhang, Yubo;Abtew, Tesfaye A.;Zhang, Peihong;Zhang, Wenqing;VO2: Orbital competition, magnetism, and phase stability;PHYSICAL REVIEW B;86;23;235103;10.1103/PhysRevB.86.235103;DEC 3 2012;2012;The relative phase stability of VO2 is one of the most fundamental;issues concerning the metal-insulator transition in this material but;has been so far largely unexplored theoretically. We investigate the;relative stability of various phases of VO2 using different levels of;energy functionals within density functional theory (DFT). It is found;that straightforward applications of several popular energy functionals,;including the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, result in;a wrong prediction for the ground state of VO2. In particular, although;the HSE and DFT + U methods are able to produce a band gap in the M-1;phase, they strongly favor the formation of local magnetic moments, a;result that clearly disagrees with experiments. We also examine the;effect of the occupation and the redistribution of the d derived t(2g);(i.e., d(xz), d(yz), and d(x2-y2)) orbitals of V atoms on the calculated;relative phase stability of VO2. We find that a small change in d;occupation can result in a drastically different theoretical prediction.;With the introduction of an orbital-dependent potential, a complete;separation between the d(x2-y2) derived valence band and d(xz) and d(yz);derived conduction bands in the M-1 phase is achieved, resulting in a;slight redistribution of the d occupation and a more faithful account of;the polarization of the t(2g) orbitals. This slight rearrangement of the;d occupation also leads to a relative phase stability of VO2 ( including;structural and magnetic phases) that agrees well with experiment.;Zhang, Wenqing/K-1236-2012; Zhang, Peihong/D-2787-2012;4;0;0;0;4;1098-0121;WOS:000311806300003;;;J;Campi, Davide;Bernasconi, Marco;Benedek, Giorgio;Electronic properties and lattice dynamics of the As(111) surface;PHYSICAL REVIEW B;86;24;245403;10.1103/PhysRevB.86.245403;DEC 3 2012;2012;The bulk and surface electronic and structural properties of As(111);have been studied with first-principles methods. The inclusion of;spin-orbit interaction reveals that As shares the same topologically;nontrivial order of the bulk electronic bands of Sb which gives rise to;two spin-polarized surface states connecting valence-like and;conduction-like states. Bulk and surface phonons have been calculated by;means of density functional perturbation theory. The surface phonon;bands reveal features related to a remarkable stiffening of the surface;bilayer with respect to the bulk ones similarly to what is measured for;the Bi(111) and to what is expected for the Sb(111) surface.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000311806500003;;;J;Chakraborty, Akash;Wenk, Paul;Bouzerar, Richard;Bouzerar, Georges;Spontaneous magnetization in the presence of nanoscale inhomogeneities;in diluted magnetic systems;PHYSICAL REVIEW B;86;21;214402;10.1103/PhysRevB.86.214402;DEC 3 2012;2012;The presence of nanoscale inhomogeneities has been experimentally;evidenced in several diluted magnetic systems, which in turn often leads;to interesting physical phenomena. However, a proper theoretical;understanding of the underlying physics is lacking in most of the cases.;Here, we present a detailed and comprehensive theoretical study of the;effects of nanoscale inhomogeneities on the temperature-dependent;spontaneous magnetization in diluted magnetic systems, which is found to;exhibit an unusual and unconventional behavior. The effects of impurity;clustering on the magnetization response have hardly been studied until;now. We show that nanosized clusters of magnetic impurities can lead to;drastic effects on the magnetization compared to that of homogeneously;diluted compounds. The anomalous nature of the magnetization curves;strongly depends on the relative concentration of the inhomogeneities as;well as the effective range of the exchange interactions. In addition,;we also provide a systematic discussion of the nature of the;distributions of the local magnetizations.;3;0;0;0;3;1098-0121;WOS:000311805500004;;;J;Dmitriev, A. P.;Gornyi, I. V.;Polyakov, D. G.;Coulomb drag between ballistic quantum wires;PHYSICAL REVIEW B;86;24;245402;10.1103/PhysRevB.86.245402;DEC 3 2012;2012;We develop a kinetic equation description of Coulomb drag between;ballistic one-dimensional electron systems, which enables us to;demonstrate that equilibration processes between right- and left-moving;electrons are crucially important for establishing dc drag. In;one-dimensional geometry, this type of equilibration requires either;backscattering near the Fermi level or scattering with small-momentum;transfer near the bottom of the electron spectrum. Importantly, pairwise;forward scattering in the vicinity of the Fermi surface alone is not;sufficient to produce a nonzero dc drag resistivity rho(D), in contrast;to a number of works that have studied Coulomb drag due to this;mechanism of scattering before. We show that slow equilibration between;two subsystems of electrons of opposite chirality, "bottlenecked" by;inelastic collisions involving cold electrons near the bottom of the;conduction band, leads to a strong suppression of Coulomb drag, which;results in an activation dependence of rho(D) on temperature, instead of;the conventional power law. We demonstrate the emergence of a drag;regime in which rho(D) does not depend on the strength of interwire;interactions, while depending strongly on the strength of interactions;inside the wires.;4;0;0;0;4;1098-0121;WOS:000311806500002;;;J;Etz, Corina;Costa, Marcio;Eriksson, Olle;Bergman, Anders;Accelerating the switching of magnetic nanoclusters by anisotropy-driven;magnetization dynamics;PHYSICAL REVIEW B;86;22;224401;10.1103/PhysRevB.86.224401;DEC 3 2012;2012;In this work, the magnetization dynamics of clusters supported on;nonmagnetic substrates is shown to exhibit a complex response when;subjected to external magnetic fields. The field-driven magnetization;reversal of small Co clusters deposited on a Cu(111) surface has been;studied by means of first-principles calculations and atomistic spin;dynamics simulations. For applied fields ranging from 1 to 10 Tesla, we;observe a coherent magnetization reversal with switching times in the;range of several tenths of picoseconds to several nanoseconds, depending;on the field strength. We find a nonmonotonous dependence of the;switching times with respect to the strength of the applied field, which;we prove has its origin in the complex magnetic anisotropy landscape of;these low-dimensional systems. This effect is shown to be stable for;temperatures around 10 K, and is possible to realize over a range of;exchange interactions and anisotropy landscapes. Possible experimental;routes to achieve this unique switching behavior are discussed.;Bergman, Anders/H-7996-2012; Etz, Corina/E-3112-2014; Eriksson, Olle/E-3265-2014;Bergman, Anders/0000-0002-5134-1978;;3;1;0;0;3;1098-0121;WOS:000311805700003;;;J;Harada, S.;Zhou, J. J.;Yao, Y. G.;Inada, Y.;Zheng, Guo-qing;Abrupt enhancement of noncentrosymmetry and appearance of a spin-triplet;superconducting state in Li-2(Pd1-xPtx)(3)B beyond x=0.8;PHYSICAL REVIEW B;86;22;220502;10.1103/PhysRevB.86.220502;DEC 3 2012;2012;We report synthesis, Pt-195, B-11, and Li-7 NMR measurements, and;first-principles band calculations for noncentrosymmetric;superconductors Li-2(Pd1-xPtx)(3)B (x = 0, 0.2, 0.5, 0.8, 0.84, 0.9, and;1). For 0 <= x <= 0.8, the spin-lattice relaxation rate 1/T-1 shows a;clear coherence peak just below T-c, decreasing exponentially at low;temperature, and the Knight shift K-195 decreases below Tc. For x = 0.9;and 1.0, in contrast, 1/T-1 shows no coherence peak but a T-3 variation;and K-195 remains unchanged across T-c. These results indicate that the;superconducting state changes drastically from a spin-singlet dominant;to a spin-triplet dominant state at x = 0.8. We find that the distortion;of B(Pt,Pd)(6) increases abruptly above x = 0.8, which leads to an;abrupt enhancement of the asymmetric spin-orbit coupling as confirmed by;band calculation. Such structure distortion that enhances the extent of;inversion-symmetry breaking is primarily responsible for the pairing;symmetry evolution. The insight obtained here provides a guideline for;searching for noncentrosymmetric superconductors with a large;spin-triplet component.;Yao, Yugui/A-8411-2012; Zheng, Guo-qing/B-1524-2011;6;0;0;0;6;1098-0121;WOS:000311805700002;;;J;Huang, C. L.;Fritsch, V.;Kittler, W.;v. Loehneysen, H.;Low-temperature properties of CeAu2Ge2 single crystals grown from Au-Ge;and Sn flux;PHYSICAL REVIEW B;86;21;214401;10.1103/PhysRevB.86.214401;DEC 3 2012;2012;The specific heat of CeAu2Ge2 single crystals grown from Au-Ge (AGF) or;Sn flux (SF) was measured at temperatures T between 1.8 and 200 K. Two;magnetic transitions are observed in the zero-field specific heat at;12.1 and 14.5 K in the AGF sample, while only a single sharp transition;at 9.2 K is seen in the SF sample, confirming our recent susceptibility;results [Fritsch et al., Phys. Rev. B 84, 104446 (2011)]. We observe;several field-induced transitions in the magnetoresistance of the AGF;sample measured at 1.6 and 2.3 K in accordance with the B-T phase;diagram constructed from isothermal magnetization curves M(B). In;addition, we have measured M(B) under hydrostatic pressure P up to 10.5;kbar. The Neel temperature T-N increases linearly with P at a small rate;of 0.049 K/kbar, which suggests that, if T-N(P) is attributed to a pure;volume effect, this compound is close to the maximum transition;temperature of the Doniach diagram. The transition fields B-M between;the field-induced phases increase linearly with P as well. The;comparable Gruneisen parameters of T-N and B-M indicate that the energy;scale depending on the sample's volume is given by the antiferromagnetic;correlations and not by the Kondo effect. We discuss possible reasons;for the different magnetic behavior of AGF and SF samples.;Huang, Chien-Lung/O-2028-2013;2;0;0;0;2;1098-0121;WOS:000311805500003;;;J;Jadczak, J.;Kubisa, M.;Ryczko, K.;Bryja, L.;Potemski, M.;High magnetic field spin splitting of excitons in asymmetric GaAs;quantum wells;PHYSICAL REVIEW B;86;24;245401;10.1103/PhysRevB.86.245401;DEC 3 2012;2012;Low-temperature photoluminescence from high-quality GaAs quantum wells,;asymmetrically doped with carbon, are investigated under high magnetic;fields (up to 20 T) directed along the [001] growth axis. At higher;fields, in the sigma(-) polarized emission, we observe two well-resolved;lines which are attributed to the recombination of neutral (X) and;charged (X+) excitons. In contrast, only the neutral exciton line is;observed for the sigma(+) polarization. From the difference of the X;line positions for the two polarizations we determine the effective;Zeeman splitting of neutral excitons and then the g factor g(h) of;confined holes. We find that g(h) depends substantially on the well size;and changes the sign at moderate magnetic fields. To explain the;experimental results, the valence Landau levels are calculated using the;Luttinger model beyond the axial approximation. We demonstrate that;mainly the excited hole levels contribute to the excitonic state at;higher magnetic fields. Due to their light-hole character, resulting;from the valence-band mixing, the excited hole states have a sizable;overlap with the electron states confined far from the doped barrier.;The calculated values of g(h) are in an excellent quantitative agreement;with the experimental data.;2;0;0;0;2;1098-0121;WOS:000311806500001;;;J;Lane, Nina J.;Vogel, Sven C.;Hug, Gilles;Togo, Atsushi;Chaput, Laurent;Hultman, Lars;Barsoum, Michel W.;Neutron diffraction measurements and first-principles study of thermal;motion of atoms in select M(n+1)AX(n) and binary MX transition-metal;carbide phases;PHYSICAL REVIEW B;86;21;214301;10.1103/PhysRevB.86.214301;DEC 3 2012;2012;Herein, we compare the thermal vibrations of atoms in select ternary;carbides with the formula M(n+1)AX(n) ("MAX phases," M = Ti, Cr; A = Al,;Si, Ge; X = C, N) as determined from first-principles phonon;calculations to those obtained from high-temperature neutron powder;diffraction studies. The transition metal carbides TiC, TaC, and WC are;also studied to test our methodology on simpler carbides. Good;qualitative and quantitative agreement is found between predicted and;experimental values for the binary carbides. For all the MAX phases;studied-Ti3SiC2, Ti3GeC2, Ti2AlN, Cr2GeC and Ti4AlN3-density functional;theory calculations predict that the A element vibrates with the highest;amplitude and does so anisotropically with a higher amplitude within the;basal plane, which is in line with earlier results from high-temperature;neutron diffraction studies. In some cases, there are quantitative;differences in the absolute values between the theoretical and;experimental atomic displacement parameters (ADPs), such as reversal of;anisotropy or a systematic offset of temperature-dependent ADPs. The;mode-dependent Gruneisen parameters are also computed to explore the;anharmonicity in the system.;Lujan Center, LANL/G-4896-2012;4;0;0;0;4;1098-0121;WOS:000311805500002;;;J;Niemann, R.;Baro, J.;Heczko, O.;Schultz, L.;Faehler, S.;Vives, E.;Manosa, L.;Planes, A.;Tuning avalanche criticality: Acoustic emission during the martensitic;transformation of a compressed Ni-Mn-Ga single crystal;PHYSICAL REVIEW B;86;21;214101;10.1103/PhysRevB.86.214101;DEC 3 2012;2012;The propagation of a phase front during a thermally induced martensitic;transition is discontinuous due to pinning at various defects, an effect;which results in acoustic emission. Here we analyze the consequences of;an applied compressive stress exemplarily on a Ni50.4Mn27.9Ga21.7 single;crystal. Our experiments show that the distribution of the energies of;the acoustic emission events follows a power law for more than three;decades. This indicates that the transition exhibits avalanche;criticality. The exponent characterizing the distribution of energies;depends on the applied stress, and decreases from 1.9 +/- 0.1 at zero;stress to 1.5 +/- 0.2 at stress above 3 MPa. This decrease could be;attributed to the reduced multiplicity of variants possible under;uniaxial compression.;Niemann, Robert/F-3634-2012; Schultz, Ludwig/B-3383-2010; Manosa, Lluis/D-8579-2014; Heczko, Oleg/G-9355-2014; Vives, Eduard/I-4821-2014;Manosa, Lluis/0000-0002-1182-2670; Vives, Eduard/0000-0002-5916-7214;4;0;0;0;4;1098-0121;WOS:000311805500001;;;J;Usui, Hidetomo;Suzuki, Katsuhiro;Kuroki, Kazuhiko;Minimal electronic models for superconducting BiS2 layers;PHYSICAL REVIEW B;86;22;220501;10.1103/PhysRevB.86.220501;DEC 3 2012;2012;We construct minimal electronic models for a newly discovered;superconductor LaO1-xFxBiS2 (T-c = 10.6 K) possessing BiS2 layers based;on a first-principles band calculation. First, we obtain a model;consisting of two Bi 6p and two S 3p orbitals, which give nearly;electron-hole symmetric bands. Further focusing on the bands that;intersect the Fermi level, we obtain a model with two p orbitals. The;two bands (per BiS2 layer) have a quasi-one-dimensional character with a;double minimum dispersion, which gives good nesting of the Fermi;surface. At around x similar to 0.5 the topology of the Fermi surface;changes, so that the density of states at the Fermi level becomes large.;Possible pairing states are discussed.;42;0;0;0;42;1098-0121;WOS:000311805700001;;;J;Cammarata, Antonio;Rondinelli, James M.;Spin-assisted covalent bond mechanism in "charge-ordering" perovskite;oxides;PHYSICAL REVIEW B;86;19;195144;10.1103/PhysRevB.86.195144;NOV 30 2012;2012;First-principles density functional calculations on the metal-insulator;transition (MIT) in perovskite CaFeO3 point to local ferromagnetic;coupling as the microscopic origin for the electronic "charge order";transition. Our atomic, electronic, and magnetic structure analyses;reveal that the MIT results from a spin-assisted covalent bonding;mechanism between the O 2p and Fe 3d states with anisotropic Fe-O bonds;and negligible intersite Fe-Fe charge transfer. We suggest that control;of the lattice distortions, which mediate the covalent bond formation,;in oxides containing late transition-metal row cations in high valence;states provides a platform to tailor electronic transitions.;Rondinelli, James/A-2071-2009; Cammarata, Antonio/A-4883-2014;Rondinelli, James/0000-0003-0508-2175; Cammarata,;Antonio/0000-0002-5691-0682;7;0;0;0;7;1098-0121;WOS:000311715000003;;;J;Clem, John R.;Kogan, V. G.;Kinetic impedance and depairing in thin and narrow superconducting films;PHYSICAL REVIEW B;86;17;174521;10.1103/PhysRevB.86.174521;NOV 30 2012;2012;We use both Eilenberger-Usadel and Ginzburg-Landau (GL) theory to;calculate the superfluid's temperature-dependent kinetic inductance for;all currents up to the depairing current in thin and narrow;superconducting films. The calculations apply to BCS weak-coupling;superconductors with isotropic gaps and transport mean-free paths much;less than the BCS coherence length. The kinetic inductance is calculated;for the response to a small alternating current when the film is;carrying a dc bias current. In the slow-experiment/fast-relaxation;limit, in which the superconducting order parameter quasistatically;follows the time-dependent current, the kinetic inductance diverges as;the bias current approaches the depairing value. However, in the;fast-experiment/slow-relaxiation limit, in which the the superconducting;order parameter remains fixed at a value corresponding to the dc bias;current, the kinetic inductance rises to a finite value at the depairing;current. We then use time-dependent GL theory to calculate the kinetic;impedance of the superfluid, which includes not only the kinetic;reactance, but also the kinetic resistance of the superfluid arising;from dissipation due to order-parameter relaxation. The kinetic;resistance is largest for angular frequencies omega obeying omega tau(s);> 1, where tau(s) is the order-parameter relaxation time, and for bias;currents close to the depairing current. We also include the normal;fluid's contribution to dissipation in deriving an expression for the;total kinetic impedance. The Appendices contain many details about the;temperature-dependent behavior of superconductors carrying current up to;the depairing value.;3;0;0;0;3;1098-0121;WOS:000311714600005;;;J;Cohn, J. L.;Boynton, P.;Trivino, J. S.;Trastoy, J.;White, B. D.;dos Santos, C. A. M.;Neumeier, J. J.;Stoichiometry, structure, and transport in the quasi-one-dimensional;metal Li0.9Mo6O17;PHYSICAL REVIEW B;86;19;195143;10.1103/PhysRevB.86.195143;NOV 30 2012;2012;A correlation between lattice parameters, oxygen composition, and the;thermoelectric and Hall coefficients is presented for single-crystal;Li0.9Mo6O17, a quasi-one-dimensional (Q1D) metallic compound. The;possibility that this compound is a compensated metal is discussed in;light of a substantial variability observed in the literature for these;transport coefficients.;1;0;0;0;1;1098-0121;WOS:000311715000002;;;J;Crepaldi, A.;Ressel, B.;Cilento, F.;Zacchigna, M.;Grazioli, C.;Berger, H.;Bugnon, Ph.;Kern, K.;Grioni, M.;Parmigiani, F.;Ultrafast photodoping and effective Fermi-Dirac distribution of the;Dirac particles in Bi2Se3;PHYSICAL REVIEW B;86;20;205133;10.1103/PhysRevB.86.205133;NOV 30 2012;2012;We exploit time- and angle-resolved photoemission spectroscopy to;determine the evolution of the out-of-equilibrium electronic structure;of the topological insulator Bi2Se3. The response of the Fermi-Dirac;distribution to ultrashort IR laser pulses has been studied by modeling;the dynamics of hot electrons after optical excitation. We disentangle a;large increase in the effective temperature (T*) from a shift of the;chemical potential (mu*), which is consequence of the ultrafast;photodoping of the conduction band. The relaxation dynamics of T* and;mu* are k independent and these two quantities uniquely define the;evolution of the excited charge population. We observe that the energy;dependence of the nonequilibrium charge population is solely determined;by the analytical form of the effective Fermi-Dirac distribution.;14;1;0;0;14;1098-0121;WOS:000311715100007;;;J;Dumlich, Heiko;Reich, Stephanie;Nanotube bundles and tube-tube orientation: A van der Waals density;functional study (vol 84, 064121, 2011);PHYSICAL REVIEW B;86;17;179905;10.1103/PhysRevB.86.179905;NOV 30 2012;2012;0;0;0;0;0;1098-0121;WOS:000311714600007;;;J;Fukutani, Keisuke;Hayashi, Hirokazu;Yakovkin, Ivan N.;Habuchi, Takafumi;Hirayama, Daisuke;Jiang, Jian;Iwasawa, Hideaki;Shimada, Kenya;Losovyj, Ya. B.;Dowben, Peter A.;Enhanced electron-phonon coupling at the Au/Mo(112) surface;PHYSICAL REVIEW B;86;20;205432;10.1103/PhysRevB.86.205432;NOV 30 2012;2012;A detailed investigation of the electronic structure and electron-phonon;coupling for a Au monolayer on the Mo(112) surface is presented. The;electronic states of bulk Mo and the (112) surface-derived states are;seen to strongly hybridize with those of the Au overlayer, resulting in;the formation of surface resonance states localized near the surface and;the interface of Au/Mo(112). The experimentally extracted self-energy;due to the electron-phonon coupling on one of the surface resonance;bands gives a good quantitative agreement with the calculations. The;strength of electron-phonon coupling for Au/Mo(112) is discussed in;terms of the mass enhancement factor and is considerably larger than for;the Mo(112) surface. Such an increase in the mass enhancement factor in;the vicinity of the Fermi level likely derives from the soft surface;phonon modes created upon Au adsorption.;2;0;0;0;2;1098-0121;WOS:000311715100011;;;J;Hamada, Ikutaro;Adsorption of water on graphene: A van der Waals density functional;study;PHYSICAL REVIEW B;86;19;195436;10.1103/PhysRevB.86.195436;NOV 30 2012;2012;The van der Waals density functional (vdW-DF) was used to investigate;the interaction of a water monomer with graphene. It was found that a;variant of vdW-DF [Hamada and Otani, Phys. Rev. B 82, 153412 (2010)];predicts geometries and energetics of water on graphene which are in;good agreement with those obtained using more elaborate random-phase;approximation and quantum Monte Carlo approaches. Interfacial electronic;structures were also analyzed in detail.;Hamada, Ikutaro/E-8040-2010;Hamada, Ikutaro/0000-0001-5112-2452;12;1;0;0;12;1098-0121;WOS:000311715000010;;;J;Hofmann, D.;Kuemmel, S.;Integer particle preference during charge transfer in Kohn-Sham theory;PHYSICAL REVIEW B;86;20;201109;10.1103/PhysRevB.86.201109;NOV 30 2012;2012;We investigate the static and dynamic charge transfer that is triggered;by external electric fields in model molecular wires. A self-interaction;correction in Kohn-Sham density functional theory leads to the desired;integer electron transfers that do not occur with standard functionals;which miss Coulomb blockade effects. Analysis of the multiplicative;exchange-correlation potential in stationary cases and during real-time;propagation shows how the local exchange-correlation potential builds up;step and reverse-step structures that enforce the integer particle;preference. The role of spin-symmetry breaking is discussed.;Kummel, Stephan/K-5634-2014;8;0;0;0;8;1098-0121;WOS:000311715100002;;;J;Illg, Christian;Meyer, Bernd;Faehnle, Manfred;Frequencies and polarization vectors of phonons: Results from force;constants which are fitted to experimental data or calculated ab initio;PHYSICAL REVIEW B;86;17;174309;10.1103/PhysRevB.86.174309;NOV 30 2012;2012;The properties of phonons may be calculated from the dynamical matrix;which is determined by force constants. Often the force constants are;obtained by fitting them to experimental phonon frequencies, e. g., for;wave vectors q on high-symmetry directions of the Brillouin zone. It is;well known that these force constants do not necessarily lead to correct;frequencies for wave vectors for nonsymmetrical q and to correct;polarization vectors. In the present paper this is demonstrated by;comparing for fcc Ni, fcc Al, and bcc Fe the frequencies and;polarization vectors calculated from fitted force constants with the;results from ab initio calculated force constants. However, for most;regions of the Brillouin zone the differences between the results;obtained from the two sets of force constants are not large.;1;0;0;0;1;1098-0121;WOS:000311714600003;;;J;Iori, Federico;Rodolakis, Fanny;Gatti, Matteo;Reining, Lucia;Upton, M.;Shvyd'ko, Y.;Rueff, Jean-Pascal;Marsi, Marino;Low-energy excitations in strongly correlated materials: A theoretical;and experimental study of the dynamic structure factor in V2O3;PHYSICAL REVIEW B;86;20;205132;10.1103/PhysRevB.86.205132;NOV 30 2012;2012;This work contains an experimental and theoretical study of the dynamic;structure factor at large momentum transfer vertical bar Q vertical bar;similar to 4 angstrom(-1) of the strongly correlated transition-metal;oxide V2O3. We focus in particular on the transitions between d states;that give rise to the spectra below 6 eV. We show that the main peak in;this energy range is mainly due to t(2g) -> e(g)(sigma) transitions, and;that it carries a signature of the phase transition between the;paramagnetic insulator and the paramagnetic metal that can already be;understood from the joint density of states calculated at the level of;the static local density approximation. Instead, in order to obtain;theoretical spectra that are overall similar to the measured ones, we;have to go beyond the static approximation and include at least crystal;local field effects. The latter turn out to be crucial in order to;eliminate a spurious peak and hence allow a safe comparison between;theory and experiment, including an analysis of the strong anisotropy of;the spectra.;CSIC-UPV/EHU, CFM/F-4867-2012; Iori, Federico/E-5372-2013; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Iori, Federico/0000-0002-7677-3435;;4;0;0;0;4;1098-0121;WOS:000311715100006;;;J;Kharitonov, Maxim;Antiferromagnetic state in bilayer graphene;PHYSICAL REVIEW B;86;19;195435;10.1103/PhysRevB.86.195435;NOV 30 2012;2012;Motivated by the recent experiment of Velasco Jr. et al. [J. Velasco Jr.;et al., Nat. Nanotechnology 7, 156 (2012)], we develop a mean-field;theory of the interaction-induced antiferromagnetic (AF) state in;bilayer graphene at charge neutrality point at arbitrary perpendicular;magnetic field B. We demonstrate that the AF state can persist at all B.;At higher B, the state continuously crosses over to the AF phase of the;nu = 0 quantum Hall ferromagnet, recently argued to be realized in the;insulating nu = 0 state. The mean-field quasiparticle gap is finite at B;= 0 and grows with increasing B, becoming quasilinear in the quantum;Hall regime, in accord with the reported behavior of the transport gap.;By adjusting the two free parameters of the model, we obtain a;simultaneous quantitative agreement between the experimental and;theoretical values of the key parameters of the gap dependence-its;zero-field value and slope at higher fields. Our findings suggest that;the insulating state observed in bilayer graphene in Ref. 1 is;antiferromagnetic (canted, once the Zeeman effect is taken into account);at all magnetic fields.;19;1;0;0;19;1098-0121;WOS:000311715000009;;;J;Klos, J. W.;Kumar, D.;Romero-Vivas, J.;Fangohr, H.;Franchin, M.;Krawczyk, M.;Barman, A.;Effect of magnetization pinning on the spectrum of spin waves in;magnonic antidot waveguides;PHYSICAL REVIEW B;86;18;184433;10.1103/PhysRevB.86.184433;NOV 30 2012;2012;We study the spin-wave spectra in magnonic antidot waveguides (MAWs) for;two limiting cases (strong and negligible) of the surface anisotropy at;the ferromagnet/air interface. The MAWs under investigation have the;form of a thin stripe of permalloy with a single row of periodically;arranged antidots in the middle. The introduction of a magnetization;pinning at the edges of the permalloy stripe and the edges of antidots;is found to modify the spin-wave spectrum. This effect is shown to be;necessary for magnonic gaps to open in the considered systems. Our study;demonstrates that the surface anisotropy can be crucial in the practical;applications of MAWs and related structures and in the interpretation of;experimental results in one-and two-dimensional magnonic crystals. We;used three different numerical methods, i.e., plane waves method (PWM),;finite difference method, and finite element method to validate the;results. We showed that PWM in the present formulation assumes pinned;magnetization, while in micromagnetic simulations special care must be;taken to introduce pinning.;Fangohr, Hans/C-6367-2008; Klos, Jaroslaw/G-9728-2012;Fangohr, Hans/0000-0001-5494-7193; Klos, Jaroslaw/0000-0002-5858-2950;13;2;0;0;13;1098-0121;WOS:000311714700002;;;J;Kolata, K.;Koester, N. S.;Chernikov, A.;Drexler, M. J.;Gatti, E.;Cecci, S.;Chrastina, D.;Isella, G.;Guzzi, M.;Chatterjee, S.;Dephasing in Ge/SiGe quantum wells measured by means of coherent;oscillations;PHYSICAL REVIEW B;86;20;201303;10.1103/PhysRevB.86.201303;NOV 30 2012;2012;We present a dephasing time analysis of the excitonic resonances in;Ge/SiGe quantum wells for various lattice temperatures by coherent;oscillation spectroscopy (COS). The results are compared to the;linewidths of the excitonic resonances determined from linear absorption;measurements. Additionally, COS is applied to different samples with;varying linewidth, identifying one sample with a dominating;homogeneously broadened 1s excitonic resonance down to 7 K.;Chatterjee, Sangam/E-3124-2012;2;0;0;0;2;1098-0121;WOS:000311715100003;;;J;Lang, Li-Jun;Chen, Shu;Majorana fermions in density-modulated p-wave superconducting wires;PHYSICAL REVIEW B;86;20;205135;10.1103/PhysRevB.86.205135;NOV 30 2012;2012;We study the p-wave superconducting wire with a periodically modulated;chemical potential and show that the Majorana edge states are robust;against the periodic modulation. We find that the critical amplitude of;modulated potential, at which the Majorana edge fermions and topological;phase disappear, strongly depends on the phase shifts. For some specific;values of the phase shift, the critical amplitude tends to infinity. The;existence of Majorana edge fermions in the open chain can be;characterized by a topological Z(2) invariant of the bulk system, which;can be applied to determine the phase boundary between the topologically;trivial and nontrivial superconducting phases. We also demonstrate the;existence of the zero-energy peak in the spectral function of the;topological superconducting phase, which is only sensitive to the open;boundary condition but robust against the disorder.;Lang, Li-Jun/C-2815-2014;Lang, Li-Jun/0000-0001-6038-8340;11;0;0;0;11;1098-0121;WOS:000311715100009;;;J;Lazicki, Amy;Dewaele, Agnes;Loubeyre, Paul;Mezouar, Mohamed;High-pressure-temperature phase diagram and the equation of state of;beryllium;PHYSICAL REVIEW B;86;17;174118;10.1103/PhysRevB.86.174118;NOV 30 2012;2012;X-ray diffraction of beryllium in a laser-heated diamond anvil cell;provides experimental insight into its behavior at high pressure and;temperature. We measure the cold compression of Be in helium and NaCl;pressure media up 192 GPa, and its thermal expansion up to 82 GPa and;2630 K. The new measurements form a P-V-T data set which is fit by the;Vinet-Debye form to establish a Be experimental equation of state. We;compare the results to several theoretical models. The crystal structure;of Be is determined up to 205 GPa and 4000 K; no evidence for the;predicted high-temperature transition to a cubic phase is found.;Finally, the maximum temperature stability of the solid phase along;isobaric heating ramps gives a lower bound for the melting curve.;5;0;0;0;5;1098-0121;WOS:000311714600002;;;J;Li, J.;Ekuma, C. E.;Vekhter, I.;Jarrell, M.;Moreno, J.;Stadler, S.;Karki, A. B.;Jin, R.;Physical properties of Ba2Mn2Sb2O single crystals;PHYSICAL REVIEW B;86;19;195142;10.1103/PhysRevB.86.195142;NOV 30 2012;2012;We report both experimental and theoretical investigations of the;physical properties of Ba2Mn2Sb2O single crystals. This material;exhibits a hexagonal structure with lattice constants a = 4.7029(15) A;and c = 19.9401(27) A, as obtained from powder x-ray diffraction;measurements, and in agreement with structural optimization through;density functional theory (DFT) calculations. The magnetic;susceptibility and specific heat show anomalies at T-N = 60 K,;consistent with antiferromagnetic ordering. However, the magnitude of;T-N is significantly smaller than the Curie-Weiss temperature (vertical;bar Theta(CW)vertical bar approximate to 560 K), suggesting a magnetic;system of reduced dimensionality. The temperature dependence of both the;in-plane and out-of-plane resistivity changes from activated at T > T-x;similar to 200 K to logarithmic at T < T-x. Correspondingly, the;magnetic susceptibility displays a bump at T-x. DFT calculations at the;DFT + U level support the experimental observation of an;antiferromagnetic ground state.;Vekhter, Ilya/M-1780-2013; Moreno, Juana/D-5882-2012;0;0;0;0;0;1098-0121;WOS:000311715000001;;;J;Mafra, D. L.;Kong, J.;Sato, K.;Saito, R.;Dresselhaus, M. S.;Araujo, P. T.;Using gate-modulated Raman scattering and electron-phonon interactions;to probe single-layer graphene: A different approach to assign phonon;combination modes;PHYSICAL REVIEW B;86;19;195434;10.1103/PhysRevB.86.195434;NOV 30 2012;2012;Gate-modulated and laser-dependent Raman spectroscopy have been widely;used to study q = 0 zone center phonon modes, their self-energy, and;their coupling to electrons in graphene systems. In this work we use;gate-modulated Raman of q not equal 0 phonons as a technique to;understand the nature of five second-order Raman combination modes;observed in the frequency range of 1700-2300 cm(-1) of single-layer;graphene (SLG). Anomalous phonon self-energy renormalization phenomena;are observed in all five combination modes within this intermediate;frequency region, which can clearly be distinguished from one another.;By combining the anomalous phonon renormalization effect with the double;resonance Raman theory, which includes both phonon dispersion relations;and angular dependence of the electron-phonon scattering matrix;elements, and by comparing it to the experimentally obtained phonon;dispersion, measured by using different laser excitation energies, we;can assign each Raman peak to the proper phonon combination mode. This;approach should also shed light on the understanding of more complex;structures such as few-layer graphene (FLG) and its stacking orders as;well as other two-dimensional (2D)-like materials.;Sato, Kentaro/B-7163-2008; Saito, Riichiro/B-1132-2008;Sato, Kentaro/0000-0001-6706-2175;;5;2;1;0;5;1098-0121;WOS:000311715000008;;;J;Mazza, Giacomo;Fabrizio, Michele;Dynamical quantum phase transitions and broken-symmetry edges in the;many-body eigenvalue spectrum;PHYSICAL REVIEW B;86;18;184303;10.1103/PhysRevB.86.184303;NOV 30 2012;2012;Many-body models undergoing a quantum phase transition to a;broken-symmetry phase that survives up to a critical temperature must;possess, in the ordered phase, symmetric as well as nonsymmetric;eigenstates. We predict, and explicitly show in the fully connected;Ising model in a transverse field, that these two classes of eigenstates;do not overlap in energy, and therefore that an energy edge exists;separating low-energy symmetry-breaking eigenstates from high-energy;symmetry-invariant ones. This energy is actually responsible, as we;show, for the dynamical phase transition displayed by this model under a;sudden large increase of the transverse field. A second situation we;consider is the opposite, where the symmetry-breaking eigenstates are;those in the high-energy sector of the spectrum, whereas the low-energy;eigenstates are symmetric. In that case too a special energy must exist;marking the boundary and leading to unexpected out-of-equilibrium;dynamical behavior. An example is the fermonic repulsive Hubbard model;Hamiltonian H. Exploiting the trivial fact that the high-energy spectrum;of H is also the low-energy one of -H, we conclude that the high-energy;eigenstates of the Hubbard model are superfluid. Simulating in a;time-dependent Gutzwiller approximation the time evolution of a;high-energy BCS-like trial wave function, we show that a small;superconducting order parameter will actually grow in spite of the;repulsive nature of the interaction.;fabrizio, michele/N-3762-2014;2;0;0;0;2;1098-0121;WOS:000311714700001;;;J;Mueller, T.;Aharonovich, I.;Wang, Z.;Yuan, X.;Castelletto, S.;Prawer, S.;Atatuere, M.;Phonon-induced dephasing of chromium color centers in diamond;PHYSICAL REVIEW B;86;19;195210;10.1103/PhysRevB.86.195210;NOV 30 2012;2012;We report on the coherence properties of single photons from;chromium-based color centers in diamond. We use field-correlation and;spectral line-shape measurements to reveal the interplay between slow;spectral wandering and fast dephasing mechanisms as a function of;temperature. The zero-phonon transition frequency and its linewidth;follow a power-law dependence on temperature, which is consistent with;direct electron-phonon coupling and phonon-modulated Coulomb coupling to;nearby impurities, which are the predominant fast dephasing mechanisms;for these centers. Further, the observed reduction in the quantum yield;for photon emission as a function of temperature suggests the opening of;additional nonradiative channels through thermal activation to;higher-energy states and indicates a near-unity quantum efficiency at 4;K.;castelletto, stefania/G-1516-2011; McKenzie, Warren/J-2137-2014;3;0;0;0;3;1098-0121;WOS:000311715000007;;;J;Murthy, Ganpathy;Shankar, R.;Hamiltonian theory of fractionally filled Chern bands;PHYSICAL REVIEW B;86;19;195146;10.1103/PhysRevB.86.195146;NOV 30 2012;2012;There is convincing numerical evidence that fractional quantum-Hall-like;ground states arise in fractionally filled Chern bands. Here, we show;that the Hamiltonian theory of composite fermions (CF) can be as useful;in describing these states as it was in describing the fractional;quantum Hall effect (FQHE) in the continuum. We are able to introduce;CFs into the fractionally filled Chern-band problem in two stages.;First, we construct an algebraically exact mapping which expresses the;electron density projected to the Chern band rho(FCB) as a sum of;Girvin-MacDonald-Platzman density operators rho(GMP) that obey the;magnetic translation algebra. Next, following our Hamiltonian treatment;of the FQH problem, we rewrite the operators rho(GMP) in terms of CF;variables which reproduce the same algebra. This naturally produces a;unique Hartree-Fock ground state for the CFs, which can be used as a;springboard for computing gaps, response functions,;temperature-dependent phenomena, and the influence of disorder. We give;two concrete examples, one of which has no analog in the continuum FQHE;with nu = 1/5 and sigma(xy) = 2/5. Our approach can be easily extended;to fractionally filled, strongly interacting two-dimensional;time-reversal-invariant topological insulators.;15;0;0;0;15;1098-0121;WOS:000311715000005;;;J;Ovsyannikov, Sergey V.;Morozova, Natalia V.;Karkin, Alexander E.;Shchennikov, Vladimir V.;High-pressure cycling of hematite alpha-Fe2O3: Nanostructuring, in situ;electronic transport, and possible charge disproportionation;PHYSICAL REVIEW B;86;20;205131;10.1103/PhysRevB.86.205131;NOV 30 2012;2012;We studied electronic transport properties of hematite (alpha-Fe2O3) at;room temperature under cycling of high pressure up to similar to 22 GPa.;The original samples and those recovered after high-pressure experiments;were examined by x-ray diffraction and Raman and optical absorption;spectroscopy. At ambient pressure the original samples were also;characterized by temperature measurements of electrical and;galvanomagnetic properties. Upon compression, the original single;crystals underwent a sluggish structural deconfinement starting above 5;GPa into a nanometric state. Above 5-7 GPa, the nanostructured hematite;showed a reversible transition to a state with enhanced electrical;conductivity and moderate values of thermoelectric power (Seebeck;effect) of about -150 mu V/K. This electronic phase corresponds to;neither conventional trivalent oxidation state of the iron ions in;hematite nor metallic conductivity. Analysis of the electronic transport;data in the frameworks of two models, of polaron hopping, and of;intrinsic semiconductor conductivity, revealed a change from the;electron conductivity to two-band electrical conductivity and suggested;that the observed enhancement of the electrical properties in;nanocrystalline alpha-Fe2O3 above 5-7 GPa is related to the;mixed-valence state of the iron ions. Since alpha-Fe2O3 is believed to;undergo a "spin-flop" (Morin) transition near 2-5 GPa at room;temperature, we discuss potential contributions of magnetoelastic and;other effects to the observed high-pressure properties of hematite.;Ovsyannikov, Sergey/J-7802-2012; Morozova, Natalia/J-3568-2013; Karkin, Alexander/J-6712-2013; Shchennikov, Vladimir/J-8533-2013;Morozova, Natalia/0000-0002-2377-1372; Karkin,;Alexander/0000-0003-0464-4762; Shchennikov, Vladimir/0000-0003-2887-1652;4;0;0;0;4;1098-0121;WOS:000311715100005;;;J;Pielawa, Susanne;Berg, Erez;Sachdev, Subir;Frustrated quantum Ising spins simulated by spinless bosons in a tilted;lattice: From a quantum liquid to antiferromagnetic order;PHYSICAL REVIEW B;86;18;184435;10.1103/PhysRevB.86.184435;NOV 30 2012;2012;We study spinless bosons in a decorated square lattice with a;near-diagonal tilt. The resonant subspace of the tilted Mott insulator;is described by an effective Hamiltonian of frustrated quantum Ising;spins on a nonbipartite lattice. This generalizes an earlier proposal;for the unfrustrated quantum Ising model in one dimension which was;realized in a recent experiment on ultracold Rb-87 atoms in an optical;lattice. Very close to diagonal tilt, we find a quantum liquid state;which is continuously connected to the paramagnet. Frustration can be;reduced by increasing the tilt angle away from the diagonal, and the;system undergoes a transition to an antiferromagnetically ordered state.;Using quantum Monte Carlo simulations and exact diagonalization, we find;that for realistic system sizes the antiferromagnetic order appears to;be quasi-one-dimensional, however, in the thermodynamic limit the order;is two-dimensional.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;1;0;0;0;1;1098-0121;WOS:000311714700004;;;J;Popov, V. V.;Polischuk, O. V.;Davoyan, A. R.;Ryzhii, V.;Otsuji, T.;Shur, M. S.;Plasmonic terahertz lasing in an array of graphene nanocavities;PHYSICAL REVIEW B;86;19;195437;10.1103/PhysRevB.86.195437;NOV 30 2012;2012;We propose a novel concept of terahertz lasing based on stimulated;generation of plasmons in a planar array of graphene resonant;micro/nanocavities strongly coupled to terahertz radiation. Due to the;strong plasmon confinement and superradiant nature of terahertz emission;by the array of plasmonic nanocavities, the amplification of terahertz;waves is enhanced by many orders of magnitude at the plasmon resonance;frequencies. We show that the lasing regime is ensured by the balance;between the plasmon gain and plasmon radiative damping.;Davoyan, Artur/K-8567-2013;Davoyan, Artur/0000-0002-4662-1158;15;0;0;0;15;1098-0121;WOS:000311715000011;;;J;Romanov, Sergei G.;Vogel, Nicolas;Bley, Karina;Landfester, Katharina;Weiss, Clemens K.;Orlov, Sergej;Korovin, Alexander V.;Chuiko, Gennady P.;Regensburger, Alois;Romanova, Alexandra S.;Kriesch, Arian;Peschel, Ulf;Probing guided modes in a monolayer colloidal crystal on a flat metal;film;PHYSICAL REVIEW B;86;19;195145;10.1103/PhysRevB.86.195145;NOV 30 2012;2012;Two-dimensional slab hybrid metal-dielectric photonic crystals, which;are prepared by assembling polymer colloidal spheres into closely packed;monolayers of hexagonal symmetry on a gold-coated glass substrate, show;an improved confinement of light compared with a colloidal monolayer on;a glass substrate. We demonstrated that the optical response of such;hybrid crystals consists of diffractively coupled waveguiding modes,;Fabry-Perot resonances, and Mie resonances. Correspondingly, two major;mechanisms, namely, band transport and hopping of localized excitations,;participate in the in-plane light transport in such hybrid crystals.;Weiss, Clemens/C-9932-2009; Peschel, Ulf/C-3356-2013; Romanov, Sergei/H-6868-2013; Kriesch, Arian/A-7337-2011;Weiss, Clemens/0000-0001-8559-0385; Romanov, Sergei/0000-0003-0546-9505;;Kriesch, Arian/0000-0002-8347-0344;6;1;0;0;6;1098-0121;WOS:000311715000004;;;J;Schoop, Leslie;Muechler, Lukas;Schmitt, Jennifer;Ksenofontov, Vadim;Medvedev, Sergey;Nuss, Juergen;Casper, Frederick;Jansen, Martin;Cava, R. J.;Felser, Claudia;Effect of pressure on superconductivity in NaAlSi;PHYSICAL REVIEW B;86;17;174522;10.1103/PhysRevB.86.174522;NOV 30 2012;2012;The ternary superconductor NaAlSi, isostructural with LiFeAs, the "111";iron pnictide superconductor, is investigated under pressure. The;structure remains stable up to 15 GPa. Resistivity and susceptibility;measurements show an increase of T-c up to 2 GPa, followed by a decrease;until superconductivity disappears at 4.8 GPa. Band structure;calculations show that pressure should have a negligible effect on the;electronic structure and the Fermi surface and thus the disappearance of;superconductivity under pressure must have a different origin. We;compare the electronic structure of NaAlSi under pressure with that of;nonsuperconducting isostructural NaAlGe.;Felser, Claudia/A-5779-2009; Casper, Frederick/A-5782-2009; Nuss, Juergen/G-2711-2010; Muchler, Lukas/A-4628-2013; Schoop, Leslie/A-4627-2013;Nuss, Juergen/0000-0002-0679-0184; Schoop, Leslie/0000-0003-3459-4241;1;0;0;0;1;1098-0121;WOS:000311714600006;;;J;Schwier, E. F.;Scherwitzl, R.;Vydrova, Z.;Garcia-Fernandez, M.;Gibert, M.;Zubko, P.;Garnier, M. G.;Triscone, J. -M.;Aebi, P.;Unusual temperature dependence of the spectral weight near the Fermi;level of NdNiO3 thin films;PHYSICAL REVIEW B;86;19;195147;10.1103/PhysRevB.86.195147;NOV 30 2012;2012;We investigate the behavior of the spectral weight near the Fermi level;of NdNiO3 thin films as a function of temperature across the;metal-to-insulator transition (MIT) by means of ultraviolet;photoelectron spectroscopy. The spectral weight was found to exhibit;thermal hysteresis, similar to that of the dc conductivity. A detailed;analysis of the temperature dependence reveals two distinct regimes of;spectral loss close to the Fermi level. The temperature evolution of one;regime is found to be independent of the MIT.;Garcia-Fernandez, Mirian/B-6018-2013; Zubko, Pavlo/B-5496-2009;Zubko, Pavlo/0000-0002-7330-3163;2;0;0;0;2;1098-0121;WOS:000311715000006;;;J;Sen, Arnab;Damle, Kedar;Moessner, R.;Vacancy-induced spin textures and their interactions in a classical spin;liquid;PHYSICAL REVIEW B;86;20;205134;10.1103/PhysRevB.86.205134;NOV 30 2012;2012;Motivated by experiments on the archetypal frustrated magnet;SrCr9pGa12-9pO19 (SCGO), we study the classical Heisenberg model on the;pyrochlore slab (kagome bilayer) lattice with site dilution x = 1 - p.;This allows us to address generic aspects of the physics of nonmagnetic;vacancies in a classical spin liquid. We explicitly demonstrate that the;pure (x = 0) system remains a spin liquid down to the lowest;temperatures, with an unusual nonmonotonic temperature dependence of the;susceptibility, which even turns diamagnetic for the apical spins;between the two kagome layers. For x > 0 but small, the low-temperature;magnetic response of the system is most naturally described in terms of;the properties of spatially extended spin textures that cloak an;"orphan" S = 3/2 Cr3+ spin in direct proximity to a pair of missing;sites belonging to the same triangular simplex. In the T -> 0 limit,;these orphan-texture complexes each carry a net magnetization that is;exactly half the magnetic moment of an individual spin of the undiluted;system. Furthermore, we demonstrate that they interact via an entropic;temperature-dependent pairwise exchange interaction J(eff) (T,(r) over;right arrow) similar to T J ((r) over right arrow root T) that has a;logarithmic form at short distances and decays exponentially beyond a;thermal correlation length xi(T) similar to 1/root T. The sign of J(eff);depends on whether the two orphan spins belong to the same kagome layer;or not. We provide a detailed analytical account of these properties;using an effective field theory approach specifically tailored for the;problem at hand. These results are in quantitative agreement with;large-scale Monte Carlo numerics.;3;1;0;0;3;1098-0121;WOS:000311715100008;;;J;Solanki, Ravindra Singh;Mishra, S. K.;Senyshyn, Anatoliy;Ishii, I.;Moriyoshi, Chikako;Suzuki, Takashi;Kuroiwa, Yoshihiro;Pandey, Dhananjai;Antiferrodistortive phase transition in pseudorhombohedral;(Pb0.94Sr0.06)( Zr0.550Ti0.450)O-3: A combined synchrotron x-ray and;neutron powder diffraction study;PHYSICAL REVIEW B;86;17;174117;10.1103/PhysRevB.86.174117;NOV 30 2012;2012;The controversies about the structure of the true ground state of;pseudorhombohedral compositions of Pb(ZrxTi1-x)O-3 (PZT) are addressed;using a 6% Sr2+ substituted sample with x = 0.550. Sound velocity;measurements reveal a phase transition at T-c similar to 279 K. The;temperature dependence of full width at half maximum of (h00)(pc) peaks;and the unit cell volume also show anomalies around 279 K even though;there is no indication of any change of space group in the synchrotron;x-ray powder diffraction (SXRD) patterns. The neutron powder diffraction;patterns reveal appearance of superlattice peaks below T-c similar to;279 K, confirming the existence of an antiferrodistortive phase;transition. The Rietveld analysis of the room-temperature and;low-temperature SXRD data below T-c shows that the structure corresponds;to single monoclinic phase in the Cm space group while the analysis of;neutron powder diffraction data reveals that the structure of the;ground-state phase below T-c corresponds to the Cc space group. Our;analysis shows that the structural models for the ground-state phase;based on the R3c space group with or without the coexistence of the;room-temperature monoclinic phase in the Cm space group can be rejected.;SOLANKI, RAVINDRA /H-7221-2013; Senyshyn, Anatoliy/C-8267-2014;Senyshyn, Anatoliy/0000-0002-1473-8992;3;0;0;0;3;1098-0121;WOS:000311714600001;;;J;Steinke, N. -J.;Moore, T. A.;Mansell, R.;Bland, J. A. C.;Barnes, C. H. W.;Nonuniversal dynamic magnetization reversal in the Barkhausen-dominated;and mesofrequency regimes;PHYSICAL REVIEW B;86;18;184434;10.1103/PhysRevB.86.184434;NOV 30 2012;2012;Dynamic magnetization reversal in the mesofrequency range is studied by;ac magneto-optical Kerr effect (ac-MOKE) and ac anisotropic;magnetoresistance (ac-AMR) magnetometry in a series of epitaxial and;polycrystalline thin magnetic films. The dynamic coercive field was;found to scale as a power law with scaling exponents <= 1/2 depending on;the ferromagnetic material. In addition, there is a low sweep rate;regime in which the dynamic coercivity reaches a minimum. These findings;are explained in the context of reversal proceeding by motion of a few;domain walls (similar to 1). At dc and low field sweep rates the;reversal proceeds between local pinning sites via Barkhausen avalanches;and the overall reversal speed is strongly dependent on the field sweep;rate. At higher field sweep rates a continuous motion regime is entered;in which the reversal velocity depends linearly on the applied field;sweep rate and only an average pinning force is experienced by the wall.;The fit of the dynamic coercivity vs applied field sweep rate allows the;determination of the average nonlocal pinning field. The nonuniversal;scaling exponent can be explained using recently developed models and;introducing a field rate-dependent number of active domain walls.;Mansell, Rhodri/A-1450-2013;2;0;0;0;2;1098-0121;WOS:000311714700003;;;J;Stoffel, M.;Fagot-Revurat, Y.;Tejeda, A.;Kierren, B.;Nicolaou, A.;Le Fevre, P.;Bertran, F.;Taleb-Ibrahimi, A.;Malterre, D.;Electron-phonon coupling on strained Ge/Si(111)-(5x5) surfaces;PHYSICAL REVIEW B;86;19;195438;10.1103/PhysRevB.86.195438;NOV 30 2012;2012;We investigate the structural and electronic properties of strained;Ge/Si(111)-(5 x 5) surfaces by means of scanning tunneling microscopy;and high-resolution angle-resolved photoemission spectroscopy. The;homogeneous (5 x 5) reconstructed overlayers are characterized by three;electronic surface states, similar to the Si(111)-(7 x 7) surface. The;dispersion of the dangling bond related surface state exhibits the same;periodicity as that of the (5 x 5) reconstruction. Moreover, a careful;analysis of the shape and width of this surface state provides striking;evidence of electron-phonon coupling at low temperatures. By considering;the spectral function within a simple Debye model, we determine both the;Debye energy and the electron-phonon coupling strength. The latter value;is further confirmed by analyzing the temperature-dependent phonon;broadening of the dangling bond related surface state linewidth.;BERTRAN, Francois/B-7515-2008; Tejeda, Antonio/C-4711-2014;BERTRAN, Francois/0000-0002-2416-0514; Tejeda,;Antonio/0000-0003-0125-4603;1;0;0;0;1;1098-0121;WOS:000311715000012;;;J;Turek, I.;Kudrnovsky, J.;Carva, K.;Magnetic anisotropy energy of disordered tetragonal Fe-Co systems from;ab initio alloy theory;PHYSICAL REVIEW B;86;17;174430;10.1103/PhysRevB.86.174430;NOV 30 2012;2012;We present results of systematic fully relativistic first-principles;calculations of the uniaxial magnetic anisotropy energy (MAE) of a;disordered and partially ordered tetragonal Fe-Co alloy using the;coherent potential approximation (CPA). This alloy has recently become a;promising system for thin ferromagnetic films with a perpendicular;magnetic anisotropy. We find that existing theoretical approaches to;homogeneous random bulk Fe-Co alloys, based on a simple virtual crystal;approximation (VCA), overestimate the maximum MAE values obtained in the;CPA by a factor of 4. This pronounced difference is ascribed to the;strong disorder in the minority spin channel of real alloys, which is;neglected in the VCA and which leads to a broadening of the d-like;eigenstates at the Fermi energy and to the reduction of the MAE. The;ordered Fe-Co alloys with a maximum L1(0)-like atomic long-range order;can exhibit high values of the MAE, which, however, get dramatically;reduced by small perturbations of the perfect order.;Carva, Karel/A-3703-2008; Turek, Ilja/G-5553-2014; KUDRNOVSKY, Josef/G-5581-2014;KUDRNOVSKY, Josef/0000-0002-9968-6748;10;0;0;0;10;1098-0121;WOS:000311714600004;;;J;Uppstu, Andreas;Harju, Ari;High-field magnetoresistance revealing scattering mechanisms in graphene;PHYSICAL REVIEW B;86;20;201409;10.1103/PhysRevB.86.201409;NOV 30 2012;2012;We show that the type of charge carrier scattering significantly affects;the high-field magnetoresistance of graphene nanoribbons. This effect;has the potential to be used in identifying the scattering mechanisms in;graphene. The results also provide an explanation for the experimentally;found, intriguing differences in the behavior of the magnetoresistance;of graphene Hall bars placed on different substrates. Additionally, our;simulations indicate that the peaks in the longitudinal resistance tend;to become pinned to fractionally quantized values, as different;transport modes have very different scattering properties.;Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;1;0;0;0;1;1098-0121;WOS:000311715100004;;;J;White, Alexander J.;Sukharev, Maxim;Galperin, Michael;Molecular nanoplasmonics: Self-consistent electrodynamics in;current-carrying junctions;PHYSICAL REVIEW B;86;20;205324;10.1103/PhysRevB.86.205324;NOV 30 2012;2012;We consider a biased molecular junction subjected to an external;time-dependent electromagnetic field. We discuss local field formation;due to both surface plasmon-polariton excitations in the contacts and;the molecular response. Employing realistic parameters we demonstrate;that such self-consistent treatment is crucial for the proper;description of the junction transport characteristics.;White, Alexander/D-8754-2014;White, Alexander/0000-0002-7771-3899;3;0;0;0;3;1098-0121;WOS:000311715100010;;;J;Wierschem, Keola;Kato, Yasuyuki;Nishida, Yusuke;Batista, Cristian D.;Sengupta, Pinaki;Magnetic and nematic orderings in spin-1 antiferromagnets with;single-ion anisotropy;PHYSICAL REVIEW B;86;20;201108;10.1103/PhysRevB.86.201108;NOV 30 2012;2012;We study a spin-1 Heisenberg model with exchange interaction J, uniaxial;single-ion exchange anisotropy D, and Zeeman coupling to a magnetic;field B parallel to the symmetry axis. We compute the (D/J, B/J) quantum;phase diagram for square and simple cubic lattices by combining;analytical and quantum Monte Carlo approaches, and find a transition;between XY antiferromagnetic and ferronematic phases that spontaneously;break the U(1) symmetry of the model. In the language of bosonic gases,;this is a transition between a Bose-Einstein condensate (BEC) of single;bosons and a BEC of pairs. Our work opens up new avenues for measuring;this transition in real magnets.;8;0;0;0;8;1098-0121;WOS:000311715100001;;;J;Wu, Chien-Te;Valls, Oriol T.;Halterman, Klaus;Proximity effects in conical-ferromagnet/superconductor bilayers;PHYSICAL REVIEW B;86;18;184517;10.1103/PhysRevB.86.184517;NOV 30 2012;2012;We present a study of various aspects of proximity effects in F/S;(ferromagnet/superconductor) bilayers, where F has a spiral magnetic;texture such as that found in holmium, erbium, and other materials, and;S is a conventional s-wave superconductor. We numerically solve the;Bogoliubov-de Gennes (BdG) equations self-consistently and use the;solutions to compute physical quantities relevant to the proximity;effects in these bilayers. We obtain the relation between the;superconducting transition temperature T-c and the thicknesses d(F) of;the magnetic layer by solving the linearized BdG equations. We find that;the T-c (d(F)) curves include multiple oscillations. Moreover, the;system may be reentrant not only with d(F), as is the case when the;magnet is uniform, but also with temperature T : the superconductivity;disappears in certain ranges of d(F) or T. The T reentrance reported;here occurs when d(F) is larger than the spatial period of the conical;exchange field. We compute the condensation free energies and entropies;from the full BdG equations and find the results are in agreement with;T-c values obtained by linearization. The inhomogeneous nature of the;magnet makes it possible for all odd triplet pairing components to be;induced. We have investigated their properties and found that, as;compared to the singlet amplitude, both the m = 0 and +/- 1 triplet;components exhibit long-range penetration. For nanoscale bilayers, the;proximity lengths for both layers are also obtained. These lengths;oscillate with d(F) and they are found to be long range on both sides.;These results are shown to be consistent with recent experiments. We;also calculate the reverse proximity effect described by the;three-dimensional local magnetization, and the local density of states,;which reveals important energy-resolved signatures associated with the;proximity effects.;6;0;0;0;6;1098-0121;WOS:000311714700005;;;J;Altarelli, M.;Kurta, R. P.;Vartanyants, I. A.;X-ray cross-correlation analysis and local symmetries of disordered;systems: General theory (vol 82, 104207, 2010);PHYSICAL REVIEW B;86;17;179904;10.1103/PhysRevB.86.179904;NOV 29 2012;2012;1;0;0;0;1;1098-0121;WOS:000311693600006;;;J;Beheshtian, J.;Sadeghi, A.;Neek-Amal, M.;Michel, K. H.;Peeters, F. M.;Induced polarization and electronic properties of carbon-doped boron;nitride nanoribbons;PHYSICAL REVIEW B;86;19;195433;10.1103/PhysRevB.86.195433;NOV 29 2012;2012;The electronic properties of boron nitride nanoribbons (BNNRs) doped;with a line of carbon atoms are investigated using density functional;calculations. By replacing a line of alternating B and N atoms with;carbons, three different configurations are possible depending on the;type of the atoms which bond to the carbons. We found very different;electronic properties for these configurations: (i) the NCB arrangement;is strongly polarized with a large dipole moment having an unexpected;direction, (ii) the BCB and NCN arrangements are nonpolar with zero;dipole moment, (iii) the doping by a carbon line reduces the band gap;regardless of the local arrangement of the borons and the nitrogens;around the carbon line, and (iv) the polarization and energy gap of the;carbon-doped BNNRs can be tuned by an electric field applied parallel to;the carbon line. Similar effects were found when either an armchair or;zigzag line of carbon was introduced.;Sadeghi, Ali/D-1554-2013;8;0;0;0;8;1098-0121;WOS:000311694200006;;;J;Chi, Hang;Kim, Hyoungchul;Thomas, John C.;Su, Xianli;Stackhouse, Stephen;Kaviany, Massoud;Van der Ven, Anton;Tang, Xinfeng;Uher, Ctirad;Configuring pnicogen rings in skutterudites for low phonon conductivity;PHYSICAL REVIEW B;86;19;195209;10.1103/PhysRevB.86.195209;NOV 29 2012;2012;Dominant heat-carrying modes in skutterudites are associated with;vibrations of the pnicogen rings. Apart from filling the structural;cages with foreign species, disrupting the pnicogen ring structure by;substitutional alloying should be an effective approach to reduce;thermal conductivity. In this paper we explore alloying configurations;of pnicogen rings (Sb rings in the case of CoSb3) that yield;particularly low values of the thermal conductivity. We find that IV-VI;double substitution (replacing two Sb atoms with one atom each from the;column IV and column VI elements to achieve an average charge of two Sb;atoms) is a very effective approach. Our ab initio calculations, in;combination with a cluster expansion, have allowed us to identify stable;alloy configurations on the Sb rings. Subsequent molecular and lattice;dynamics simulations on low energy configurations establish the range of;atomic displacement parameters and values of the thermal conductivity.;Theoretical results are in good agreement with our experimental thermal;conductivity values. Combining both approaches of compensated double;substitution and filling of structural cages should be an effective way;of improving the thermoelectric figure of merit of skutterudites.;Su, Xianli/A-9685-2012; Chi, Hang/F-1537-2011; Thomas, John/A-2764-2009; Kim, Hyoungchul/F-2557-2014;Chi, Hang/0000-0002-1299-1150; Thomas, John/0000-0002-3162-0152; Kim,;Hyoungchul/0000-0003-3109-660X;8;0;0;0;8;1098-0121;WOS:000311694200003;;;J;Fortmann, C.;Niemann, C.;Glenzer, S. H.;Theory of x-ray scattering in high-pressure electrides;PHYSICAL REVIEW B;86;17;174116;10.1103/PhysRevB.86.174116;NOV 29 2012;2012;We report on a theoretical model for the calculation of x-ray scattering;from high-pressure electrides. By treating interstitial electrons as;effective anions forming a sublattice within the crystal, we explicitly;account for Bragg reflections from the sublattice as well as for;scattering interferences between the ion lattice and the anion;sublattice. The additional reflections and interferences lead to;significant modifications of the static structure factor as compared to;the pure lattices. Our results are important for accurate calculations;of material properties in the high-pressure phase and allow for direct;experimental verification of electride phases in matter at ultrahigh;pressures through angle-resolved x-ray scattering.;2;0;0;0;2;1098-0121;WOS:000311693600001;;;J;Guclu, Caner;Campione, Salvatore;Capolino, Filippo;Hyperbolic metamaterial as super absorber for scattered fields generated;at its surface;PHYSICAL REVIEW B;86;20;205130;10.1103/PhysRevB.86.205130;NOV 29 2012;2012;We show that hyperbolic metamaterials (HMs) that exhibit hyperbolic;wave-vector dispersion diagrams possess two important features related;to super absorption: The total power scattered by a nanosphere is (i);greatly enhanced when placed at the HM surface, compared to other;material surfaces, and (ii) almost totally directed into the HM. We show;that these two features are peculiar of HM interfaces, and we support;them using a spectral theory study of transverse-electric and magnetic;waves scattered by a subwavelength nanosphere. We analyze the;nanosphere's scattered power absorbed by various substrate;configurations. We also consider various nanosphere materials.;22;0;0;0;22;1098-0121;WOS:000311694300002;;;J;Hebbache, M.;Entanglement of electron spins and geometric phases in the diamond color;center coupled to the P1 center;PHYSICAL REVIEW B;86;19;195316;10.1103/PhysRevB.86.195316;NOV 29 2012;2012;Impurity spins in semiconductors are potential quantum bits.;Entanglement and topological phases are key resources in quantum;computation. We prove that the coupled electron spins carried by a;diamond nitrogen-vacancy color center (NV-) and a single substitutional;nitrogen impurity (P1 center) are entangled in the immediate vicinity of;the level anticrossing that appears in the Zeeman energy diagram at;about 500 G. We also determine the Aharonov-Anandan, Berry, and marginal;geometric phases that can be accumulated by the state vectors of this;spin system when it is magnetically transported around a closed path. At;the resonance where the gap between two energy levels is minimum, the;geometric phases undergo discontinuities, and the entanglement of the;two electron spins is maximal.;2;0;0;0;2;1098-0121;WOS:000311694200004;;;J;Kerdsongpanya, Sit;Alling, Bjorn;Eklund, Per;Effect of point defects on the electronic density of states of ScN;studied by first-principles calculations and implications for;thermoelectric properties;PHYSICAL REVIEW B;86;19;195140;10.1103/PhysRevB.86.195140;NOV 29 2012;2012;We have investigated the effect of defects and impurities on the;electronic density of states of scandium nitride using first-principles;calculations with the generalized gradient approximation and hybrid;functionals for the exchange correlation energy. Our results show that;Sc and N vacancies can introduce asymmetric peaks in the density of;states close to the Fermi level. We also find that the N vacancy states;are sensitive to total electron concentration of the system due to their;possibility for spin polarization. Substitutional point defects shift;the Fermi level in the electronic band according to their valence but do;not introduce sharp features. The energetics and electronic structure of;defect pairs are also studied. By using hybrid functional calculations,;a correct description of the band gap of scandium nitride is obtained.;Our results envisage ways for improving the thermoelectric figure of;merit of ScN by electronic structure engineering through stoichiometry;tuning and doping.;Eklund, Per/B-7677-2011; Alling, Bjorn/I-3193-2012;Eklund, Per/0000-0003-1785-0864; Alling, Bjorn/0000-0001-5863-5605;8;0;0;0;8;1098-0121;WOS:000311694200001;;;J;Kim, Jiseok;Fischetti, Massimo V.;Aboud, Shela;Structural, electronic, and transport properties of silicane nanoribbons;PHYSICAL REVIEW B;86;20;205323;10.1103/PhysRevB.86.205323;NOV 29 2012;2012;Silicane ribbons do not suffer from aromatic dependence of the band gap;making them a more promising candidate for near-term nanoelectronic;application compared to armchair graphene nanoribbons. The structural,;electronic, and transport properties of free-standing sp(3)-hybridized;armchair- and zigzag-edge silicane nanoribbons have been investigated;using ab initio and nonlocal empirical pseudopotential calculations.;Under ambient conditions, two-dimensional silicane sheets will;spontaneously break into stable one-dimensional ribbons similar to;density functional theory studies of graphene ribbons. The calculated;low-field electron mobility and ballistic conductance show a strong edge;dependence, due to differences in the effective mass and momentum;relaxation rates along the two transport directions. The mobility in;zigzag-edge ribbons is found to be approximately twenty times higher;than in armchair-edge ribbons.;7;0;0;0;7;1098-0121;WOS:000311694300004;;;J;Kim, Kyou-Hyun;Payne, David A.;Zuo, Jian-Min;Symmetry of piezoelectric (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (x=0.31);single crystal at different length scales in the morphotropic phase;boundary region;PHYSICAL REVIEW B;86;18;184113;10.1103/PhysRevB.86.184113;NOV 29 2012;2012;We use probes of three different length scales to examine symmetry of (1;- x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) single crystals in the;morphotropic phase boundary (MPB) region at composition x = 0.31;(PMN-31% PT). On the macroscopic scale, x-ray diffraction (XRD) shows a;mixture of strong and weak diffraction peaks of different widths. The;closest match to XRD peak data is made with monoclinic Pm (M-C);symmetry. On the local scale of a few nanometers, convergent beam;electron diffraction (CBED) studies, with a 1.6-nm electron probe,;reveal no obvious symmetry. These CBED experimental patterns can be;approximately matched with simulations based on monoclinic symmetry,;which suggests locally distorted monoclinic structure. A monoclinic Cm;(M-A or M-B)-like symmetry could also be obtained from certain regions;of the crystal by using a larger electron probe size of several tens of;nanometers in diameter. Thus the monoclinic symmetry of single crystal;PMN-31% PT is developed only in parts of the crystal by averaging over;locally distorted structure on the scale of few tens of nanometers. The;macroscopic symmetry observed by XRD is a result of averaging from the;local structure in PMN-31% PT single crystal. The lack of local symmetry;at a few nanometers scale suggests that the polarization switching;results from a change in local displacements, which are not restricted;to specific symmetry planes or directions.;2;0;0;0;2;1098-0121;WOS:000311693900002;;;J;Kossacki, P.;Faugeras, C.;Kuehne, M.;Orlita, M.;Mahmood, A.;Dujardin, E.;Nair, R. R.;Geim, A. K.;Potemski, M.;Circular dichroism of magnetophonon resonance in doped graphene;PHYSICAL REVIEW B;86;20;205431;10.1103/PhysRevB.86.205431;NOV 29 2012;2012;The polarization-resolved Raman-scattering response due to E-2g phonons;in monolayer graphene has been investigated in magnetic fields up to 29;T. The hybridization of the E-2g phonon is only observed with the;fundamental inter-Landau-level excitation (involving the n = 0 Landau;level) and in just one of the two configurations of the circularly;cross-polarized excitation and scattered light. This polarization;anisotropy of the magnetophonon resonance is shown to be inherent to;relatively strongly doped graphene samples with carrier concentrations;typical for graphene deposited on Si/SiO2 substrates.;Dujardin, Erik/A-2748-2010; Raveendran Nair, Rahul/G-5839-2010; Orlita, Milan/H-1130-2014;Dujardin, Erik/0000-0001-7242-9250;;3;0;0;0;3;1098-0121;WOS:000311694300005;;;J;Kostylev, M.;Stashkevich, A. A.;Roussigne, Y.;Grigoryeva, N. A.;Mistonov, A. A.;Menzel, D.;Sapoletova, N. A.;Napolskii, K. S.;Eliseev, A. A.;Lukashin, A. V.;Grigoriev, S. V.;Samarin, S. N.;Microwave properties of Ni-based ferromagnetic inverse opals;PHYSICAL REVIEW B;86;18;184431;10.1103/PhysRevB.86.184431;NOV 29 2012;2012;Investigations of microwave properties of Ni-based inverse ferromagnetic;opal-like film with the [111] axis of the fcc structure along the normal;direction to the film have been carried out in the 2-18 GHz frequency;band. We observed multiple spin wave resonances for the magnetic field;applied perpendicular to the film, i.e., along the [111] axis of this;artificial crystal. For the field applied in the film plane, a broad;band of microwave absorption is observed, which does not contain a fine;structure. The field ranges of the responses observed are quite;different for these two magnetization directions. This suggests a;collective magnetic ground state or shape anisotropy and collective;microwave dynamics for this foam-like material. This result is in;agreement with SQUID measurements of hysteresis loops for the material.;Two different models for this collective behavior are suggested that;satisfactorily explain the major experimental results.;Lukashin, Alexey/F-6746-2013; Mistonov, Alexander/H-2098-2013; Grigoryeva, Natalia/K-2253-2013; Kostylev, Mikhail/H-5214-2014;Mistonov, Alexander/0000-0003-0138-3579; Grigoryeva,;Natalia/0000-0002-9910-6192;;1;0;0;0;1;1098-0121;WOS:000311693900004;;;J;Kvashnin, Y. O.;Khmelevskyi, S.;Kudrnovsky, J.;Yaresko, A. N.;Genovese, L.;Bruno, P.;Noncollinear magnetic ordering in compressed FePd3 ordered alloy: A;first principles study;PHYSICAL REVIEW B;86;17;174429;10.1103/PhysRevB.86.174429;NOV 29 2012;2012;By means of ab initio calculations based on the density functional;theory we investigated the magnetic phase diagram of ordered FePd3 alloy;as a function of external pressure. Considering several magnetic;configurations we concluded that the system under pressure has a;tendency toward noncollinear spin alignment. Analysis of the Heisenberg;exchange parameters J(ij) revealed strong dependence of iron-iron;magnetic couplings on polarization of Pd atoms. To take into account;that effect we built an extended Heisenberg model with higher order;(biquadratic) terms. Minimizing the energy of this Hamiltonian, fully;parametrized using the results of ab initio calculations, we found a;candidate for a ground state of compressed FePd3, which can be seen as;two interpenetrating "triple-Q" phases.;Genovese, Luigi/C-5937-2011; Bruno, Patrick/C-9159-2009; KUDRNOVSKY, Josef/G-5581-2014;Genovese, Luigi/0000-0003-1747-0247; Bruno, Patrick/0000-0002-2574-1943;;KUDRNOVSKY, Josef/0000-0002-9968-6748;1;0;0;0;1;1098-0121;WOS:000311693600004;;;J;Li, Wu;Lindsay, L.;Broido, D. A.;Stewart, Derek A.;Mingo, Natalio;Thermal conductivity of bulk and nanowire Mg2SixSn1-x alloys from first;principles;PHYSICAL REVIEW B;86;17;174307;10.1103/PhysRevB.86.174307;NOV 29 2012;2012;The lattice thermal conductivity (kappa) of the thermoelectric;materials, Mg2Si, Mg2Sn, and their alloys, are calculated for bulk and;nanowires, without adjustable parameters. We find good agreement with;bulk experimental results. For large nanowire diameters, size effects;are stronger for the alloy than for the pure compounds. For example, in;200 nm diameter nanowires kappa is lower than its bulk value by 30%,;20%, and 20% for Mg2Si0.6Sn0.4, Mg2Si, and Mg2Sn, respectively. For;nanowires less than 20 nm thick, the relative decrease surpasses 50%,;and it becomes larger in the pure compounds than in the alloy. At room;temperature, kappa of Mg2SixSn1-x is less sensitive to nanostructuring;size effects than SixGe1-x, but more sensitive than PbTexSe1-x. This;suggests that further improvement of Mg2SixSn1-x as a nontoxic;thermoelectric may be possible.;Lindsay, Lucas/C-9221-2012; Stewart, Derek/B-6115-2008;25;1;0;0;25;1098-0121;WOS:000311693600002;;;J;Niklasson, Anders M. N.;Cawkwell, Marc J.;Fast method for quantum mechanical molecular dynamics;PHYSICAL REVIEW B;86;17;174308;10.1103/PhysRevB.86.174308;NOV 29 2012;2012;As the processing power available for scientific computing grows,;first-principles Born-Oppenheimer molecular dynamics simulations are;becoming increasingly popular for the study of a wide range of problems;in materials science, chemistry, and biology. Nevertheless, the;computational cost of Born-Oppenheimer molecular dynamics still remains;prohibitively large for many potential applications. Here we show how to;avoid a major computational bottleneck: the self-consistent-field;optimization prior to force calculations. The optimization-free quantum;mechanical molecular dynamics method gives trajectories that are almost;indistinguishable from an "exact" microcanonical Born-Oppenheimer;molecular dynamics simulation even when low-prefactor linear scaling;sparse matrix algebra is used. Our findings show that the computational;gap between classical and quantum mechanical molecular dynamics;simulations can be significantly reduced.;4;0;0;0;4;1098-0121;WOS:000311693600003;;;J;Ong, Zhun-Yong;Fischetti, Massimo V.;Theory of interfacial plasmon-phonon scattering in supported graphene;(vol 86, 165422, 2012);PHYSICAL REVIEW B;86;19;199904;10.1103/PhysRevB.86.199904;NOV 29 2012;2012;Ong, Zhun-Yong/B-9486-2013;Ong, Zhun-Yong/0000-0003-2668-6453;6;0;0;0;6;1098-0121;WOS:000311694200007;;;J;Per, Manolo C.;Snook, Ian K.;Russo, Salvy P.;Efficient calculation of unbiased expectation values in diffusion;quantum Monte Carlo;PHYSICAL REVIEW B;86;20;201107;10.1103/PhysRevB.86.201107;NOV 29 2012;2012;Despite the proven utility of quantum Monte Carlo methods in addressing;the quantum many-body problem, many important observables are difficult;to calculate due to the presence of large, and sometimes divergent,;statistical errors. The present state of the art allows the construction;of renormalized estimators which result in finite variances, but which;invariably include some systematic bias. We present a simple method for;calculating unbiased expectation values of local operators in the;diffusion quantum Monte Carlo method which is applicable to both bare;and renormalized estimators, allowing the accurate calculation of;important properties such as forces.;snook, ian/A-3427-2009; Per, Manolo/C-3680-2011;1;0;0;0;1;1098-0121;WOS:000311694300001;;;J;Simonson, J. W.;Smith, G. J.;Post, K.;Pezzoli, M.;Kistner-Morris, J. J.;McNally, D. E.;Hassinger, J. E.;Nelson, C. S.;Kotliar, G.;Basov, D. N.;Aronson, M. C.;Magnetic and structural phase diagram of CaMn2Sb2;PHYSICAL REVIEW B;86;18;184430;10.1103/PhysRevB.86.184430;NOV 29 2012;2012;On the basis of magnetic, transport, and optical measurements performed;on single crystals, we report CaMn2Sb2 to be an antiferromagnetic;insulator that exhibits weak ferromagnetic order above the Neel;temperature. Magnetic susceptibility measurements reveal the magnitude;of the high-temperature Curie-Weiss moment to be only half as large as;the ground-state ordered moment, while electronic-structure calculations;based on crystallographic measurements suggest a crystal-field-induced;spin-state transition does not occur. The antiferromagnetic state is;relatively insensitive to both doping and modest pressures, while the;ferromagnetism can be readily tuned by either. Infrared transmission and;pressure-dependent resistivity measurements suggest proximity to an;electronic delocalization transition. We suggest the ferromagnetic state;may be the signature of magnetic polarons.;1;1;0;0;1;1098-0121;WOS:000311693900003;;;J;Stishov, Sergei M.;Petrova, Alla E.;Sidorov, Vladimir A.;Menzel, Dirk;Self-doping effects in cobalt silicide CoSi: Electrical, magnetic,;elastic, and thermodynamic properties (vol 86, 064433, 2012);PHYSICAL REVIEW B;86;17;179903;10.1103/PhysRevB.86.179903;NOV 29 2012;2012;0;0;0;0;0;1098-0121;WOS:000311693600005;;;J;Thede, M.;Xiao, F.;Baines, Ch.;Landee, C.;Morenzoni, E.;Zheludev, A.;Ordering in weakly coupled random singlet spin chains;PHYSICAL REVIEW B;86;18;180407;10.1103/PhysRevB.86.180407;NOV 29 2012;2012;The influence of bond randomness on long-range magnetic ordering in the;weakly coupled S = 1/2 antiferromagnetic spin chain materials;Cu(py)(2)(Cl1-xBrx)(2) is studied by muon spin rotation and bulk;measurements. Disorder is found to have a strong effect on the ordering;temperature T-N, and an even stronger one on the saturation;magnetization m(0), but considerably more so in the effectively;lower-dimensional Br-rich materials. The observed behavior is attributed;to random singlet ground states of individual spin chains, but remains;in contradiction with chain mean-field theory [Joshi and Yang, Phys.;Rev. B 67, 174403 (2003)] predictions. In this context, we discuss the;possibility of a universal distribution of ordered moments in the weakly;coupled random singlet chains model.;Thede, Matthias/L-2975-2013;4;0;0;0;4;1098-0121;WOS:000311693900001;;;J;Usov, V.;Stoyanov, S.;Coileain, C. O.;Toktarbaiuly, O.;Shvets, I. V.;Antiband instability on vicinal Si(111) under the condition of;diffusion-limited sublimation;PHYSICAL REVIEW B;86;19;195317;10.1103/PhysRevB.86.195317;NOV 29 2012;2012;In this paper, we investigate the antiband instability on vicinal;Si(111) surfaces with different angles of misorientation. It is known;that prolonged direct current-annealing of Si(111) results in the;formation of antibands; i.e., the step bunches with the opposite slope;to the primary bunches. We provide a theoretical description of antiband;formation via the evolution of the atomic steps' shape. We also derive a;criterion for the onset of the antiband instability under the conditions;of sublimation controlled by slow adatom surface diffusion. We examine;this criterion experimentally by studying the initial stage of the;antiband formation at a constant temperature of 1270 degrees C while;systematically varying the applied electromigration field. The;experiment strongly supports the validity of the derived theoretical;criterion and indicates the importance of accounting for the factor of;critical field in the theoretical modeling of step bunching or antiband;instabilities. Deduced from the comparison of theory and experiment, the;Si surface atoms' effective charge cannot exceed double the elementary;charge, set by the lower limit of kinetic characteristic length d(s) =;0.3 nm. Using d(s) = 1.7 - 4.5 nm draws values of the effective charge;in line with the values reported in earlier studies.;Shvets, Igor/J-8710-2013;0;0;0;0;0;1098-0121;WOS:000311694200005;;;J;Weber, Cedric;Mila, Frederic;Anticollinear magnetic order induced by impurities in the frustrated;Heisenberg model of pnictides;PHYSICAL REVIEW B;86;18;184432;10.1103/PhysRevB.86.184432;NOV 29 2012;2012;We present Monte Carlo simulations for a classical antiferromagnetic;Heisenberg model with both nearest (J(1)) and next-nearest (J(2));exchange couplings on the square lattice in the presence of nonmagnetic;impurities. We show that the order-by-disorder entropy selection,;associated with the Ising-like phase transition that appears for;J(2)/J(1) > 1/2 in the pure spin model, is quenched at low temperature;due to the presence of nonmagnetic impurities. Evidence that a new;competing order is stabilized around the impurities and in turn induces;a reentrance phase transition is reported. Implications for local;magnetic measurement of the parent compound of iron pnictides are;briefly discussed.;Weber, Cedric/D-5027-2014;Weber, Cedric/0000-0002-6989-2700;4;0;0;0;4;1098-0121;WOS:000311693900005;;;J;Weston, L.;Cui, X. Y.;Delley, B.;Stampfl, C.;Band offsets and polarization effects in wurtzite ZnO/Mg0.25Zn0.75O;superlattices from first principles;PHYSICAL REVIEW B;86;20;205322;10.1103/PhysRevB.86.205322;NOV 29 2012;2012;Using first-principles calculations, we investigate the band offsets,;built-in electric fields, and band gaps of (0001)-oriented wurtzite;ZnO/Mg0.25Zn0.75O superlattices, including the dependence on;superlattice geometry and strain. Significant built-in electric fields;form inside the quantum-well region that are found to be tunable over;the range 0.24 MV/cm <= E-w <= 0.63 MV/cm, and potentially up to 1MV/cm;by varying the relative width of the well and barrier regions. The;valence band offset at the ZnO/Mg0.25Zn0.75O interface is calculated to;be 0.25-0.26 eV which, in contrast to the "common anion rule," is a;significant portion of the total band offset, and this is in support of;recent experiment. Calculated values for the valence band offset were;found to be insensitive to variations in superlattice geometry and;strain. The band gap of the superlattice is determined by the competing;effects of quantum confinement and the quantum-confined Stark effect,;with the former being more dominant for the systems investigated. These;findings will be useful in the design and optimization of ZnO/MgxZn1-xO;superlattices for electronics and optoelectronics applications.;Delley, Bernard/E-1336-2014;Delley, Bernard/0000-0002-7020-2869;3;0;1;0;4;1098-0121;WOS:000311694300003;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;PHYSICAL REVIEW B;86;19;195141;10.1103/PhysRevB.86.195141;NOV 29 2012;2012;We perform realistic first-principles calculations of iron chalcogenides;and ruthenate-based materials to identify experimental signatures of;Hund's-coupling-induced correlations in these systems. We find that FeTe;and KxFe2-yAs2 display unusual orbital-dependent fractional power-law;behavior in their quasiparticle self-energy and optical conductivity, a;phenomenon first identified in SrRuO3. Strong incoherence in the;paramagnetic state of these materials results in electronic states;hidden to angle-resolved photoemission spectroscopy which reemerge at;low temperatures. We identify the effective low-energy Hamiltonian;describing these systems and show that these anomalies are not;controlled by the proximity to a quantum critical point but result from;coexistence of fast quantum mechanical orbital fluctuations and slow;spin fluctuations.;Yin, Zhiping/G-3949-2012;Yin, Zhiping/0000-0001-8679-5251;10;0;0;0;10;1098-0121;WOS:000311694200002;;;J;Kumar, A.;Fennie, C. J.;Rabe, K. M.;Spin-lattice coupling and phonon dispersion of CdCr2O4 from first;principles;PHYSICAL REVIEW B;86;18;184429;10.1103/PhysRevB.86.184429;NOV 28 2012;2012;First-principles calculations are used to investigate the effects of;magnetic ordering on the minimum-energy structure and on the full phonon;dispersion relation of CdCr2O4, focusing on the changes through the;coupled magnetic/structural transition which shows relief of the;geometric frustration of the antiferromagnetic ordering on the;pyrochlore lattice. We computed the full phonon dispersion relations for;the ferromagnetic and antiferromagnetic orderings in cubic and;tetragonal structures of CdCr2O4. We extracted the phonon dispersion for;the cubic paramagnetic phase and found that it compares wellwith the;experimental results. The AFM ordering is seen to lower the symmetry and;induce a lattice distortion comparable in magnitude to that observed in;the transition. While the spin-phonon couplings are large for modes;which involve displacement of the Cr atoms, there are no unstable modes;at any point in the Brillouin zone for either of the magnetic orderings;considered, and thus we conclude that the phase transition is driven not;by spin-phonon coupling, but by the atomic forces and stresses induced;by the magnetic order. Finally, by comparison of the phonon frequencies;for structures with different magnetic orderings and structural;distortions, we find that the spin-phonon coupling, rather than the;coupling of the phonons to the structural change, is the dominant factor;in the observed changes of phonon frequencies through the phase;transition.;Kumar, Anil/A-9834-2013;Kumar, Anil/0000-0002-4901-8987;1;0;0;0;1;1098-0121;WOS:000311604700002;;;J;Lin, Shi-Zeng;Bulaevskii, Lev N.;Batista, Cristian D.;Vortex dynamics in ferromagnetic superconductors: Vortex clusters,;domain walls, and enhanced viscosity;PHYSICAL REVIEW B;86;18;180506;10.1103/PhysRevB.86.180506;NOV 28 2012;2012;We demonstrate that there is a long-range vortex-vortex attraction in;ferromagnetic superconductors due to polarization of the magnetic;moments. Vortex clusters are then stabilized in the ground state for low;vortex densities. The motion of vortex clusters driven by the Lorentz;force excites magnons. This regime becomes unstable at a threshold;velocity above which domain walls are generated for slow relaxation of;the magnetic moments and the vortex configuration becomes modulated.;This dynamics of vortices and magnetic moments can be probed by;transport measurements.;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;6;0;0;0;6;1098-0121;WOS:000311604700001;;;J;Wong, Chris L. M.;Law, K. T.;Majorana Kramers doublets in dx2-y2-wave superconductors with Rashba;spin-orbit coupling;PHYSICAL REVIEW B;86;18;184516;10.1103/PhysRevB.86.184516;NOV 28 2012;2012;In this work, we show that a quasi-one-dimensional d(x2-y2)-wave;superconductor with Rashba spin-orbit coupling is a DIII class,;time-reversal invariant, topological superconductor (TS), which supports;a Majorana Kramers Doublet (MKD) at each end of the TS. A MKD is a pair;of Majorana end states (MESs) protected by time-reversal symmetry (TRS).;An external magnetic field breaks TRS and drives the system from DIII to;D class in which case a single MES appears at each end of the TS. We;show that a MKD induces resonant Andreev reflection with zero-bias;conductance peak of 4e(2)/h. Experimental realizations of the proposed;model are discussed.;Law, Kam/H-1410-2011;19;1;0;0;19;1098-0121;WOS:000311604700003;;;J;De Luca, M.;Pettinari, G.;Ciatto, G.;Amidani, L.;Filippone, F.;Polimeni, A.;Fonda, E.;Boscherini, F.;Bonapasta, A. Amore;Giubertoni, D.;Knuebel, A.;Lebedev, V.;Capizzi, M.;Identification of four-hydrogen complexes in In-rich InxGa1-xN (x > 0.4);alloys using photoluminescence, x-ray absorption, and density functional;theory;PHYSICAL REVIEW B;86;20;201202;10.1103/PhysRevB.86.201202;NOV 28 2012;2012;Postgrowth hydrogen incorporation in In-rich InxGa1-xN (x > 0.4) alloys;strongly modifies the optical and structural properties of the material:;A large blueshift of the emission and absorption energies is accompanied;by a remarkable broadening of the interatomic-distance distribution, as;probed by synchrotron radiation techniques. Both effects vanish at a;finite In-concentration value (x similar to 0.5). Synergic x-ray;absorption measurements and first-principle calculations unveil two;different defective species forming upon hydrogenation: one due to the;high chemical reactivity of H, the other ascribed to mere lattice;damage. In the former species, four H atoms bind to as many N atoms, all;nearest-neighbors of a same In atom. The stability of this peculiar;complex, which is predicted to behave as a donor, stems from atomic;displacements cooperating to reduce local strain.;Fonda, Emiliano/D-9666-2011; Filippone, Francesco/I-4718-2012; Pettinari, Giorgio/M-8678-2014;Filippone, Francesco/0000-0001-5862-1115; Pettinari,;Giorgio/0000-0003-0187-3770;1;0;0;0;1;1098-0121;WOS:000311605000001;;;J;Grytsyuk, Sergiy;Peskov, Maxim V.;Schwingenschloegl, Udo;First-principles modeling of interfaces between solids with large;lattice mismatch: The prototypical CoO(111)/Ni(111) interface;PHYSICAL REVIEW B;86;17;174115;10.1103/PhysRevB.86.174115;NOV 28 2012;2012;In this work we investigate the CoO(111)/Ni(111) interface by;first-principles calculations, focusing on its structure and stability.;To satisfy the approximate 5:6 ratio of the CoO and Ni lattice;constants, we construct a supercell with 5 x 5 Co (O) and 6 x 6 Ni atoms;per layer in the bulk regions. For the interface Ni layer and the;adjacent Ni layer we consider different configurations and study the;binding energy. We show for an ideal CoO interface terminated by 5 x 5 O;atoms that the structure is more stable if there are 5 x 5 Ni atoms next;to it instead of 6 x 6 as in the bulk. In addition, we observe that a;transition layer with 31 or 33 Ni atoms located between the interface 5;x 5 Ni and bulk 6 x 6 Ni layers (which partially reflects the structures;of both these layers) enhances the stability of the CoO/Ni interface.;The electronic and magnetic modifications induced by the interface;formation are discussed.;3;0;0;0;3;1098-0121;WOS:000311604400001;;;J;Luekermann, D.;Sologub, S.;Pfnuer, H.;Klein, C.;Horn-von Hoegen, M.;Tegenkamp, C.;Scattering at magnetic and nonmagnetic impurities on surfaces with;strong spin-orbit coupling;PHYSICAL REVIEW B;86;19;195432;10.1103/PhysRevB.86.195432;NOV 28 2012;2012;Adsorption-induced reduction of surface-state conductivity in epitaxial;Bi(111) films, a prototype system with large Rashba-induced;surface-state splitting, by adsorbed atoms of Bi, Fe, and Co has been;investigated by macroscopic surface magnetotransport measurements at a;temperature of 10 K. A detailed analysis of magnetotransport, dc;transport, and Hall data reveals that the scattering efficiencies for Co;and Fe are larger by a factor of 2 than that for Bi. While for the;latter charge transfer and change of band filling near the Fermi level;are negligible, we find an increase of hole concentration upon Co and Fe;adsorption. These atoms act as acceptors and immobilize on average about;0.5 electrons per adsorbed atom. Besides the dominant classical;magnetoconductance signal the films show signatures of weak;antilocalization, reflecting the strong spin-orbit coupling in Bi(111);surface states. This behavior can be changed to weak localization by the;adsorption of high concentrations (0.1 monolayers) of magnetic;impurities (Fe, Co), similarly to results found on the topological;insulator Bi2Se3. Our results demonstrate that details of chemical bond;formation for impurities are crucial for local spin moments and;electronic scattering properties.;5;0;0;0;5;1098-0121;WOS:000311604900001;;;J;Molina-Sanchez, A.;Garcia-Cristobal, A.;Bester, G.;Semiempirical pseudopotential approach for nitride-based nanostructures;and ab initio based passivation of free surfaces;PHYSICAL REVIEW B;86;20;205430;10.1103/PhysRevB.86.205430;NOV 28 2012;2012;We present a semiempirical pseudopotential method based on screened;atomic pseudopotentials and derived from ab initio calculations. This;approach is motivated by the demand for pseudopotentials able to address;nanostructures, where ab initio methods are both too costly and;insufficiently accurate at the level of the local density approximation,;while mesoscopic effective-mass approaches are inapplicable due to the;small size of the structures along, at least, one dimension. In this;work, we improve the traditional pseudopotential method by a two-step;process: First, we invert a set of self-consistently determined screened;ab initio potentials in wurtzite GaN for a range of unit-cell volumes,;thus determining spherically symmetric and structurally averaged atomic;potentials. Second, we adjust the potentials to reproduce observed;excitation energies. We find that the adjustment represents a reasonably;small perturbation over the potential, so that the ensuing potential;still reproduces the original wave functions, while the excitation;energies are significantly improved. We furthermore deal with the;passivation of the dangling bonds of free surfaces which is relevant for;the study of nanowires and colloidal nanoparticles. We present a;methodology to derive passivant pseudopotentials from ab initio;calculations. We apply our pseudopotential approach to the exploration;of the confinement effects on the electronic structure of GaN nanowires.;Bester, Gabriel/I-4414-2012;Bester, Gabriel/0000-0003-2304-0817;1;0;0;0;1;1098-0121;WOS:000311605000005;;;J;Patel, Aavishkar A.;Dutta, Amit;Sudden quenching in the Kitaev honeycomb model: Study of defect and heat;generation;PHYSICAL REVIEW B;86;17;174306;10.1103/PhysRevB.86.174306;NOV 28 2012;2012;We study the behavior of the defect and heat densities under sudden;quenching near the quantum critical points in the two-dimensional Kitaev;honeycomb model both in the thermodynamic and nonthermodynamic limits.;We consider quenches starting from a quantum critical point into the;gapped as well as the gapless phases. We choose points on the lines of;anisotropic quantum critical points as well as different points of;intersection of these lines as the initial points from where the;quenching starts. We find that the defect and heat densities display the;expected power-law scalings along with logarithmic corrections to;scaling (or cusp singularities) in certain cases. In the vicinity of;some of the intersection points, the scaling behaviors change,;indicating an effective dimensional reduction; the scaling behavior near;these points depends on the number of critical lines crossed in the;process of quenching. All the analytical predictions are also verified;by numerical integration.;1;0;0;0;1;1098-0121;WOS:000311604400002;;;J;Raith, Martin;Stano, Peter;Fabian, Jaroslav;Theory of spin relaxation in two-electron laterally coupled Si/SiGe;quantum dots;PHYSICAL REVIEW B;86;20;205321;10.1103/PhysRevB.86.205321;NOV 28 2012;2012;Highly accurate numerical results of phonon-induced two-electron spin;relaxation in silicon double quantum dots are presented. The relaxation,;enabled by spin-orbit coupling and the nuclei of Si-29 (natural or;purified abundance), is investigated for experimentally relevant;parameters, the interdot coupling, the magnetic field magnitude and;orientation, and the detuning. We calculate relaxation rates for zero;and finite temperatures (100 mK), concluding that our findings for zero;temperature remain qualitatively valid also for 100 mK. We confirm the;same anisotropic switch of the axis of prolonged spin lifetime with;varying detuning as recently predicted in GaAs. Conditions for possibly;hyperfine-dominated relaxation are much more stringent in Si than in;GaAs. For experimentally relevant regimes, the spin-orbit coupling,;although weak, is the dominant contribution, yielding anisotropic;relaxation rates of at least two orders of magnitude lower than in GaAs.;Raith, Martin/A-3357-2011; Stano, Peter/C-3016-2013; Fabian, Jaroslav/K-1700-2013;Fabian, Jaroslav/0000-0002-3009-4525;6;0;0;0;6;1098-0121;WOS:000311605000004;;;J;Romhanyi, Judit;Penc, Karlo;Multiboson spin-wave theory for Ba2CoGe2O7: A spin-3/2 easy-plane Neel;antiferromagnet with strong single-ion anisotropy;PHYSICAL REVIEW B;86;17;174428;10.1103/PhysRevB.86.174428;NOV 28 2012;2012;We consider the square-lattice antiferromagnetic Heisenberg Hamiltonian;extended with a single-ion axial anisotropy term as a minimal model for;the multiferroic Ba2CoGe2O7. Developing a multiboson spin-wave theory,;we investigate the dispersion of the spin excitations in this spin-3/2;system. As a consequence of a strong single-ion anisotropy, a stretching;(longitudinal) spin mode appears in the spectrum. The inelastic neutron;scattering spectra of Zheludev et al. [Phys. Rev. B 68, 024428 (2003)];are successfully reproduced by the low energy modes in the multiboson;spin-wave theory, and we anticipate the appearance of the spin;stretching modes at approximate to 4 meV that can be identified using;the calculated dynamical spin structure factors. We expect the;appearance of spin stretching modes for any S > 1/2 compound where the;single-ion anisotropy is significant.;Penc, Karlo/A-3092-2011;Penc, Karlo/0000-0002-2197-1370;5;1;0;0;5;1098-0121;WOS:000311604400004;;;J;Sarmadian, N.;Saniz, R.;Lamoen, D.;Partoens, B.;Influence of Al concentration on the optoelectronic properties of;Al-doped MgO;PHYSICAL REVIEW B;86;20;205129;10.1103/PhysRevB.86.205129;NOV 28 2012;2012;We use density functional theory within the local density approximation;to investigate the structural, electronic, and optical properties of;Al-doped MgO. The concentrations considered range from 6% to 56%. In the;latter case, we also compare the optical properties of the amorphous and;crystalline phases. We find that, overall, the electronic properties of;the crystalline phases change qualitatively little with Al;concentration. On the other hand, the changes in the electronic;structure in the amorphous phase are more important, most notably;because of deep impurity levels in the band gap that are absent in the;crystalline phase. This leads to observable effects in, e.g., the;optical absorption edge and in the refractive index. Thus, the latter;can be used to characterize the crystalline to amorphous transition with;Al doping level.;0;0;0;0;0;1098-0121;WOS:000311605000003;;;J;Smadici, S.;Nelson-Cheeseman, B. B.;Bhattacharya, A.;Abbamonte, P.;Interface ferromagnetism in a SrMnO3/LaMnO3 superlattice;PHYSICAL REVIEW B;86;17;174427;10.1103/PhysRevB.86.174427;NOV 28 2012;2012;Resonant soft x-ray absorption measurements at the O K edge on a;SrMnO3/LaMnO3 superlattice show a shoulder at the energy of doped holes,;which corresponds to the main peak of resonant scattering from the;modulation in the doped hole density. Scattering line shape at the Mn;L-3,L-2 edges has a strong variation below the ferromagnetic transition;temperature. This variation has a period equal to half the superlattice;superperiod and follows the development of the ferromagnetic moment,;pointing to a ferromagnetic phase developing at the interfaces. It;occurs at the resonant energies for Mn3+ and Mn4+ valences. A model for;these observations is presented, which includes a double-exchange;two-site orbital and the variation with temperature of the hopping;frequency t(ij) between the two sites.;Bhattacharya, Anand/G-1645-2011;Bhattacharya, Anand/0000-0002-6839-6860;1;0;0;0;1;1098-0121;WOS:000311604400003;;;J;Zanotto, Simone;Degl'Innocenti, Riccardo;Xu, Ji-Hua;Sorba, Lucia;Tredicucci, Alessandro;Biasiol, Giorgio;Ultrafast optical bleaching of intersubband cavity polaritons;PHYSICAL REVIEW B;86;20;201302;10.1103/PhysRevB.86.201302;NOV 28 2012;2012;We report on the transition from the strong to the weak light-matter;coupling regime between an intersubband excitation and a photonic;crystal resonance in a nanostructured semiconductor membrane. Such a;transition is induced by varying the intensity of an ultrafast light;pulse, which is employed for pumping and probing the system eigenmodes.;The phenomenon is interpreted in terms of the saturation of the;intersubband transition due to the large number of photoexcited;electrons in the quantum well, as confirmed by a thorough analysis;performed both in frequency and time domain.;Biasiol, Giorgio/C-5465-2009;Biasiol, Giorgio/0000-0001-7974-5459;5;0;0;0;5;1098-0121;WOS:000311605000002;;;J;Ciric, L.;Sienkiewicz, A.;Gaal, R.;Jacimovic, J.;Vaju, C.;Magrez, A.;Forro, L.;Defects and localization in chemically-derived graphene;PHYSICAL REVIEW B;86;19;195139;10.1103/PhysRevB.86.195139;NOV 27 2012;2012;We have performed electron spin resonance (ESR) measurements on a large;assembly of graphene oxide (GO) and reduced graphene oxide (RGO) flakes.;In GO samples the Curie tail is coming from 1.4 x 10(18) cm(-3) of;localized spins. Although reduction of GO was expected to reestablish;the pristine properties of graphene, no Pauli-like contribution was;detected and only a low concentration of 1.2 x 10(16) cm(-3) spin;carrying defects were measured. Our study, completed by resistivity;measurements, shows that the carrier transport in RGO samples is;dominated by hopping. The incomplete reduction of GO leaves behind a;large number of defects, presumably the majority of which are ESR;silent, causing the Anderson localization of the electronic states.;Slight doping with potassium indicates the appearance of a Pauli;contribution in the spin susceptibility.;Jacimovic, Jacim/C-2674-2013;2;0;0;0;2;1098-0121;WOS:000311537100001;;;J;Dietz, O.;Stoeckmann, H. -J.;Kuhl, U.;Izrailev, F. M.;Makarov, N. M.;Doppler, J.;Libisch, F.;Rotter, S.;Surface scattering and band gaps in rough waveguides and nanowires;PHYSICAL REVIEW B;86;20;201106;10.1103/PhysRevB.86.201106;NOV 27 2012;2012;The boundaries of waveguides and nanowires have drastic influence on;their coherent scattering properties. Designing the boundary profile is;thus a promising approach for transmission and band-gap engineering with;many applications. By performing an experimental study of microwave;transmission through rough waveguides we demonstrate that a recently;proposed surface scattering theory can be employed to predict the;measured transmission properties from the boundary profiles and vice;versa. A new key ingredient of this theory is a scattering mechanism;which depends on the squared gradient of the surface profiles. We;demonstrate the nontrivial effects of this scattering mechanism by;detailed mode-resolved microwave measurements and numerical simulations.;Dietz, Otto/E-9025-2011;4;0;0;0;4;1098-0121;WOS:000311537400001;;;J;Duong, Duc T.;Toney, Michael F.;Salleo, Alberto;Role of confinement and aggregation in charge transport in;semicrystalline polythiophene thin films;PHYSICAL REVIEW B;86;20;205205;10.1103/PhysRevB.86.205205;NOV 27 2012;2012;Crystallite orientations, molecular packing disorder, and hole mobility;of poly(3-hexylthiophene) thin films that are spin casted from different;solvents are studied as a function of film thickness. Grazing incidence;x-ray diffraction reveals that films consist of an ultrathin layer of;ordered, edge-on oriented aggregates and a more disordered, face-on;oriented bulk region. Diffraction and optical absorption spectroscopy;elucidate the film-forming process. Field-effect hole mobility provides;evidence for interconnecting aggregates as the mechanism for efficient;charge transport.;12;1;0;0;12;1098-0121;WOS:000311537400002;;;J;Farrell, David E.;Wolverton, C.;Structure and diffusion in liquid complex hydrides via ab initio;molecular dynamics;PHYSICAL REVIEW B;86;17;174203;10.1103/PhysRevB.86.174203;NOV 27 2012;2012;We have used density functional theory based ab initio molecular;dynamics (AIMD) to study NaAlH4, LiBH4, LiNH2, and Li2BNH6 across a;range of temperatures, above and below the experimental melting;temperature. We have elucidated the structure, vibrational, and;diffusion characteristics of these four materials. We find: (i) In all;cases, the liquid state remains a mixture of the ions found in the solid;state. (ii) The anions remain intact on average but undergo large;deformations across the range of temperatures. (iii) In the case of;LiNH2, there is evidence that the Li+ sublattice melts before the;anionic sublattice. (iv) We find a connection between increased;anion-anion ordering and reduced anion mobility even above the;experimental melting point, due to long range Coulombic interactions;between anions. (v) Finally, we find the liquid has the same major;vibrational modes as the solid, though the lower frequency vibration and;rotation modes become more prominent with increasing temperature.;Wolverton, Christopher/B-7542-2009;1;0;0;0;1;1098-0121;WOS:000311536400001;;;J;Gebhardt, Julian;Vines, Francesc;Goerling, Andreas;Influence of the surface dipole layer and Pauli repulsion on band;energies and doping in graphene adsorbed on metal surfaces;PHYSICAL REVIEW B;86;19;195431;10.1103/PhysRevB.86.195431;NOV 27 2012;2012;The synthesis of single-layer graphene sheets on metal surfaces can be;carried out routinely nowadays. The energetic alignment of the graphene;band structure, including the position of the Dirac point relative to;the Fermi level of the metal, and subsequently, the doping level of the;graphene sheet, depends crucially on the graphene-metal distance and the;specific metal considered. These dependencies are studied with;density-functional theory considering as typical metal surfaces Au(111),;Ni(111), and Au/Ni(111). In the latter case, a single layer of gold is;intercalated between the Ni(111) surface and the graphene sheet. We show;that the energetic positions of eigenstates of helium adsorbed on a;Au(111) surface exhibit a behavior with the adsorption distance;qualitatively comparable to that of bands of physisorbed graphene. In;both cases, the distance dependence of the energy of adsorbate bands can;be explained by the effect of the surface dipole layer on the adsorbate;bands and by electrostatic interactions caused by small charge;rearrangements due to Pauli repulsion between metal surface and;graphene. These charge rearrangements are neither caused by a charge;transfer nor by chemical interactions due to conventional orbital;interaction but have the effect to reduce the overlap of the surface;charge density of the metal with the charge density of the adsorbate.;The latter effect is known as pillow effect from molecules adsorbed on;metal surfaces. Charge transfer between graphene and the metal substrate;does occur but has an opposite effect to the surface dipole layer and;Pauli repulsion, i.e., reduces the effect of the latter. For very large;adsorption distances, this charge transfer vanishes in such a way that;the Dirac point of graphene aligns with the metal Fermi energy. It is;shown that the amount and character of graphene doping can be controlled;by tuning the graphene-metal distance. For a proper description of the;involved electrostatic potentials, a finite-slab correction had to be;applied to them in order to take into account the finite size of the;metal slabs used to model the substrate.;10;0;0;0;10;1098-0121;WOS:000311537100002;;;J;Han, Jae-Ho;Lee, Hyun-Woo;Interlayer exchange coupling between next nearest neighbor layers;PHYSICAL REVIEW B;86;17;174426;10.1103/PhysRevB.86.174426;NOV 27 2012;2012;Interlayer exchange coupling (IEC) between next nearest neighbor;magnetic layers is investigated. For a multilayer system that contains;threemagnetic layers (with magnetization directionsm (m)over-cap(1),;(m)(m)over-cap(2), and (m)(m)over-cap(3), respectively) separated by two;nonmagnetic layers, the angle dependence of the coupling energy and the;thickness dependence of coupling constants were obtained. In addition to;the well known nearest neighbor IEC of the form;-(J)over-tilde(12)(m)over-cap(1) center dot (m)over-cap(2) and;-(J)over-tilde(23)(m)over-cap(2) center dot (m)over-cap(3), we find the;next nearest neighbor IEC of the form -(J);over-tilde(123)((m)over-cap(1) center dot (m)over-cap(2))((m)over-cap(2);center dot (m)over-cap(3)), which is different from the Heisenberg type;next nearest neighbor coupling -J(13)(m)over-cap(1) center dot;(m)over-cap(3). The strength of the next nearest neighbor IEC oscillates;with respect to the thickness of both magnetic and nonmagnetic layers.;The strength of the next nearest neighbor IEC is generally smaller than;the conventional nearest neighbor IEC, but is large enough to allow for;experimental detection.;Lee, Hyun-Woo/B-8995-2008;Lee, Hyun-Woo/0000-0002-1648-8093;1;0;0;0;1;1098-0121;WOS:000311536400003;;;J;Lazo, Cesar;Neel, Nicolas;Kroeger, Joerg;Berndt, Richard;Heinze, Stefan;Tunneling magnetoresistance and exchange interaction in single-atom;contacts;PHYSICAL REVIEW B;86;18;180406;10.1103/PhysRevB.86.180406;NOV 27 2012;2012;The tunneling magnetoresistance of single-atom junctions is shown to;depend on the electrode separation owing to exchange forces and the;resulting geometric relaxations. An analytical model is proposed to;extract relaxations from the magnetoresistances measured with a scanning;tunneling microscope. Exchange forces and relaxations calculated within;density functional theory demonstrate the validity of the model for a;range of distances between tip and sample which extends from tunneling;close to the point of maximal attraction.;3;0;0;0;3;1098-0121;WOS:000311536700001;;;J;Luo, Xin;Sullivan, Michael B.;Quek, Su Ying;First-principles investigations of the atomic, electronic, and;thermoelectric properties of equilibrium and strained Bi2Se3 and Bi2Te3;including van der Waals interactions;PHYSICAL REVIEW B;86;18;184111;10.1103/PhysRevB.86.184111;NOV 27 2012;2012;Bi2Se3 and Bi2Te3 are layered compounds of technological importance,;being excellent thermoelectric materials as well as topological;insulators. We report density functional theory calculations of the;atomic, electronic, and thermoelectric properties of strained bulk and;thin-film Bi2Se3 and Bi2Te3, focusing on an appropriate description of;van der Waals (vdW) interactions. The calculations show that the van der;Waals density functional (vdW-DF) with Cooper's exchange (vdW-DFxC09);can reproduce closely the experimental interlayer distances in;unstrained Bi2Se3 and Bi2Te3. Interestingly, we predict atomic;structures that are in much better agreement with the experimentally;determined structure from Nakajima than that obtained from Wyckoff,;especially for Bi2Se3, where the difference in atomic structures;qualitatively changes the electronic band structure. The band structure;obtained using the Nakajima structure and the vdW-DFxC09 optimized;structure are in much better agreement with previous reports of;photoemission measurements, than that obtained using the Wyckoff;structure. Using vdW-DFxC09 to fully optimize atomic structures of bulk;and thin-film Bi2Se3 and Bi2Te3 under different in-plane and uniaxial;strains, we predict that the electronic bandgap of both the bulk;materials and thin films decreases with tensile in-plane strain and;increases with compressive in-plane strain. We also predict, using the;semiclassical Boltzmann approach, that the magnitude of the n-type;Seebeck coefficient of Bi2Te3 can be increased by the compressive;in-plane strain while that of Bi2Se3 can be increased with tensile;in-plane strain. Further, the in-plane power factor of n-doped Bi2Se3;can be increased with compressive uniaxial strain while that of n-doped;Bi2Te3 can be increased by compressive in-plane strain. Strain;engineering thus provides a direct method to control the electronic and;thermoelectric properties in these thermoelectric topological insulator;materials.;Quek, Su Ying/I-2934-2014;11;0;0;0;11;1098-0121;WOS:000311536700003;;;J;Olejnik, E.;Pandit, B.;Basel, T.;Lafalce, E.;Sheng, C-X.;Zhang, C.;Jiang, X.;Vardeny, Z. V.;Ultrafast optical studies of ordered poly(3-thienylene-vinylene) films;(vol 85, 235201, 2012);PHYSICAL REVIEW B;86;19;199903;10.1103/PhysRevB.86.199903;NOV 27 2012;2012;0;0;0;0;0;1098-0121;WOS:000311537100003;;;J;Qin, Zhen-Xing;Zhang, Chao;Tang, Ling-Yun;Zhong, Guo-Hua;Lin, Hai-Qing;Chen, Xiao-Jia;High-pressure phases of a hydrogen-rich compound: Tetramethylgermane;PHYSICAL REVIEW B;86;18;184110;10.1103/PhysRevB.86.184110;NOV 27 2012;2012;The vibrational and structural properties of a hydrogen-rich group IVa;hydride, Ge(CH3)(4), are studied by combining Raman spectroscopy and;synchrotron x-ray diffraction measurements at room temperature and at;pressures up to 30.2 GPa. Both techniques allow the obtaining of;complementary information on the high-pressure behaviors and yield;consistent phase transitions at 1.4 GPa for the liquid to solid and 3.0,;5.4, and 20.3 GPa for the solid to solid. The four high-pressure solid;phases are identified to have the cubic, orthorhombic, monoclinic, and;monoclinic crystal structures with space groups of Pa-3 for phase I,;Pnma for phase II, P2(1)/c for phase III, and P2(1) for phase IV,;respectively. These transitions are suggested to result from the changes;in the inter- and intramolecular bonding of this compound. The softening;of some Raman modes on CH3 groups and their sudden disappearance;indicate that Ge(CH3)(4) might be an ideal compound to realize;metallization and even high-temperature superconductivity at modest;static pressure for laboratory capability.;Zhong, Guohua/A-8811-2011; Zhang, Chao/E-5109-2010;Zhong, Guohua/0000-0003-0673-8738; Zhang, Chao/0000-0002-5957-2287;3;0;0;0;3;1098-0121;WOS:000311536700002;;;J;Wdowik, U. D.;Koza, M. M.;Chatterji, T.;Phonons in lanthanum manganite: Inelastic neutron scattering and density;functional theory studies;PHYSICAL REVIEW B;86;17;174305;10.1103/PhysRevB.86.174305;NOV 27 2012;2012;Dynamical properties of the lanthanum manganite lattice are examined by;inelastic neutron scattering experiments and density functional theory;calculations. Densities of vibrational states are measured close to the;Jahn-Teller transition temperature of 750 K. Substantial changes;observed in the phonon spectra above the phase transformation are due to;residual orthorhombic distortions that persist in the high-temperature;structure of lanthanum manganite. Results of the present theoretical;investigations supply additional information useful for both Raman and;infrared spectroscopies. In addition, they indicate that typical static;phonon calculations are insufficient to reproduce accurately;experimental magnitudes of these vibrational quantities of lanthanum;manganite that are determined to a large extent by dynamical effects.;0;0;0;0;0;1098-0121;WOS:000311536400002;;;J;Yan, Wei;Wubs, Martijn;Mortensen, N. Asger;Hyperbolic metamaterials: Nonlocal response regularizes broadband;supersingularity;PHYSICAL REVIEW B;86;20;205429;10.1103/PhysRevB.86.205429;NOV 27 2012;2012;We study metamaterials known as hyperbolic media that in the usual;local-response approximation exhibit hyperbolic dispersion and an;associated broadband singularity in the density of states. Instead, from;the more microscopic hydrodynamic Drude theory we derive qualitatively;different optical properties of these metamaterials, due to the;free-electron nonlocal optical response of their metal constituents. We;demonstrate that nonlocal response gives rise to a large-wavevector;cutoff in the dispersion that is inversely proportional to the Fermi;velocity of the electron gas, but also for small wavevectors we find;differences for the hyperbolic dispersion. Moreover, the size of the;unit cell influences effective parameters of the metamaterial even in;the deep subwavelength regime. Finally, instead of the broadband;supersingularity in the local density of states, we predict a large but;finite maximal enhancement proportional to the inverse cube of the Fermi;velocity.;Mortensen, Niels Asger/C-3592-2008; Wubs, Martijn/B-4934-2008;Mortensen, Niels Asger/0000-0001-7936-6264; Wubs,;Martijn/0000-0002-8286-7825;28;3;0;0;28;1098-0121;WOS:000311537400003;;;J;Yoneda, Y.;Kitanaka, Y.;Noguchi, Y.;Miyayama, M.;Electronic and local structures of Mn-doped BiFeO3 crystals;PHYSICAL REVIEW B;86;18;184112;10.1103/PhysRevB.86.184112;NOV 27 2012;2012;The electronic structure of complex oxides is important for;understanding their functional properties. Here, we report the results;of investigating multiferroic BiFeO3 using various x-ray spectroscopy;techniques. Zn- and Mn-codoped and Mn-doped BiFeO3 samples were prepared;with the aim of improving ferroelectric properties of BiFeO3. The;valences of the doped Mn and host Fe were investigated. When oxygen;vacancies exist in the sample, Mn acts as a hole acceptor. Furthermore,;Mn and Fe stabilize the perovskite unit by changing their ionic radius.;As a result, Mn and Fe atoms exhibit various valence states in the;BiFeO3 system. Evidence of the electronic structure for Fe 3d-O 2p-Bi 6s;hybridization is also presented.;2;0;0;0;2;1098-0121;WOS:000311536700004;;;J;Despoja, V.;Mowbray, D. J.;Vlahovic, D.;Marusic, L.;TDDFT study of time-dependent and static screening in graphene;PHYSICAL REVIEW B;86;19;195429;10.1103/PhysRevB.86.195429;NOV 26 2012;2012;Time-dependent density functional theory (TDDFT) within the random phase;approximation (RPA) is used to obtain the time evolution of the induced;potential produce by the sudden formation of a C 1s core hole inside a;graphene monolayer, and to show how the system reaches the equilibrium;potential. The characteristic oscillations in the time-dependent;screening potential are related to the excitations of pi and sigma + pi;plasmons as well as the low energy 2D plasmons in doped graphene. The;equilibrium RPA screened potential is compared with the DFT effective;potential, yielding good qualitative agreement. The self energy of a;point charge near a graphene monolayer is shown to demonstrate an image;potential type behavior, Ze/(z - z(0)), down to very short distances (4;a.u.) above the graphene layer. Both results are found to agree near;quantitatively with the DFT ground state energy shift of a Li+ ion;placed near a graphene monolayer.;Mowbray, Duncan/A-5531-2010; CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Mowbray, Duncan/0000-0002-8520-0364;;4;0;0;0;4;1098-0121;WOS:000311544500013;;;J;Anspoks, A.;Kalinko, A.;Kalendarev, R.;Kuzmin, A.;Atomic structure relaxation in nanocrystalline NiO studied by EXAFS;spectroscopy: Role of nickel vacancies;PHYSICAL REVIEW B;86;17;174114;10.1103/PhysRevB.86.174114;NOV 26 2012;2012;Nanocrystalline NiO samples have been studied using the Ni K-edge;extended x-ray absorption fine structure (EXAFS) spectroscopy and;recently developed modeling technique, combining classical molecular;dynamics with ab initio multiple-scattering EXAFS calculations;(MD-EXAFS). Conventional analysis of the EXAFS signals from the first;two coordination shells of nickel revealed that (i) the second shell;average distance R(Ni-Ni-2) expands in nanocrystalline NiO compared to;microcrystalline NiO, in agreement with overall unit cell volume;expansion observed by x-ray diffraction; (ii) on the contrary, the first;shell average distance R(Ni-O-1) in nanocrystalline NiO shrinks compared;to microcrystalline NiO; (iii) the thermal contribution into the;mean-square relative displacement sigma(2) is close in both;microcrystalline and nanocrystalline NiO and can be described by the;Debye model; (iv) the static disorder is additionally present in;nanocrystalline NiO in both the first Ni-O-1 and second Ni-Ni-2 shells;due to nanocrystal structure relaxation. Within the MD-EXAFS method, the;force-field potential models have been developed for nanosized NiO using;as a criterion the agreement between the experimental and theoretical;EXAFS spectra. The best solutions have been obtained for the 3D;cubic-shaped nanoparticle models with nonzero Ni vacancy concentration;C-vac: C-vac approximate to 0.4-1.2% for NiO nanoparticles having the;cube size of L approximate to 3.6-4.2 nm and C-vac approximate to;1.6-2.0% for NiO thin film composed of cubic nanograins with a size of L;approximate to 1.3-2.1 nm. Thus our results show that the Ni vacancies;in nanosized NiO play important role in its atomic structure relaxation;along with the size reduction effect.;Kuzmin, Alexei/A-2400-2010; Anspoks, Andris/E-8602-2010; Kalinko, Aleksandr/A-3421-2010;Kuzmin, Alexei/0000-0003-4641-6354; Anspoks, Andris/0000-0002-5162-4521;;;8;0;0;0;8;1098-0121;WOS:000311543200002;;;J;Dahlhaus, J. P.;Gibertini, M.;Beenakker, C. W. J.;Scattering theory of topological invariants in nodal superconductors;PHYSICAL REVIEW B;86;17;174520;10.1103/PhysRevB.86.174520;NOV 26 2012;2012;Time-reversal invariant superconductors having nodes of vanishing;excitation gap support zero-energy boundary states with topological;protection. Existing expressions for the topological invariant are given;in terms of the Hamiltonian of an infinite system. We give an;alternative formulation in terms of the Andreev reflection matrix of a;normal-metal-superconductor interface. This allows us to relate the;topological invariant to the angle-resolved Andreev conductance also;when the boundary state in the superconductor has merged with the;continuum of states in the normal metal. A variety of symmetry classes;is obtained, depending on additional unitary symmetries of the;reflection matrix. We derive conditions for the quantization of the;conductance in each symmetry class and test these on a model for a;two-or three-dimensional superconductor with spin-singlet and;spin-triplet pairing, mixed by Rashba spin-orbit interaction.;Beenakker, Carlo/B-7424-2008;Beenakker, Carlo/0000-0003-4748-4412;8;0;0;0;8;1098-0121;WOS:000311543200007;;;J;Ehlers, D.;Tsurkan, V.;von Nidda, H. -A. Krug;Loidl, A.;
7:5:64:1 Time-resolved nonlinear infrared spectroscopy of samarium ions in SmFeO3
DOI:10.1103/PhysRevB.87.085101 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Bossini, D.;Malik, D.;Redlich, B.;van der Meer, A. F. G.;Pisarev, R. V.;Rasing, Th.;Kimel, A. V.;
7:5:64:2 Structure and hyperfine interactions in Bi1-xNdxFeO3 solid solutions prepared by solid-state sintering
DOI:10.1016/j.jallcom.2014.04.011 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Pikula, T.;Dzik, J.;Lisinska-Czekaj, A.;Czekaj, D.;Jartych, E.;
7:5:64:3 The role of 4f-electron on spin reorientation transition of NdFeO3: A first principle study
DOI:10.1063/1.4716187 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:8 AU: Chen, La;Li, Tongwei;Cao, Shixun;Yuan, Shujuan;Hong, Feng;Zhang, Jincang;
7:5:64:4 Enhanced 4f-3d interaction by Ti-doping on the magnetic properties of perovskite SmFe1-xTixO3
DOI:10.1063/1.4821503 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Zhao, Huazhi;Cao, Shixun;Huang, Ruoxiang;Ren, Wei;Yuan, Shujuan;Kang, Baojuan;Lu, Bo;Zhang, Jincang;
7:5:64:5 Magnetic properties of NdFeO3 single crystal in the spin reorientation region
DOI:10.1063/1.3562259 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Yuan, Shujuan;Wang, Yabin;Shao, Mingjie;Chang, Fenfen;Kang, Baojuan;Isikawa, Yosikazu;Cao, Shixun;
7:5:65:1 Structural, magnetic, dielectric properties of multiferroic GaFeO3 prepared by solid state reaction and sol-gel methods
DOI:10.1016/j.jallcom.2009.11.099 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:25 AU: Mohamed, M. Bakr;Senyshyn, A.;Ehrenberg, H.;Fuess, H.;
7:5:65:2 Study of site-disorder in epitaxial magneto-electric GaFeO3 thin films
DOI:10.1063/1.4807757 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Sharma, Kavita;Reddy, V. Raghavendra;Gupta, Ajay;Choudhary, R. J.;Phase, D. M.;Ganesan, V.;
7:5:65:3 Dielectric anomaly and magnetic properties of multiferroic GaFe0.75Mn0.25O3
DOI:10.1016/j.matlet.2012.07.007 JN:MATERIALS LETTERS PY:2012 TC:3 AU: Mohamed, Mohamed Bakr;Hinterstein, Manuel;Fuess, H.;
7:5:65:4 Grain size effect on site-disorder and magnetic properties of multiferroic GaFeO3 nanoparticles
DOI:10.1063/1.4838057 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Han, T. C.;Chen, T. Y.;Lee, Y. C.;
7:5:65:5 Effect of cobalt doping on site-disorder and magnetic behavior of magnetoelectric GaFeO3 nanoparticles
DOI:10.1063/1.4902874 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Han, T. C.;Lee, Y. C.;Chu, Y. T.;
7:5:65:6 Effect of Mn doping on structural and magnetic properties of GaFeO3
DOI:10.1016/j.jmmm.2011.03.019 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:7 AU: Mohamed, M. Bakr;Fuess, H.;
7:5:66:1 Strain induced ferromagnetism in epitaxial Cr2O3 thin films integrated on Si(001)
DOI:10.1063/1.4896975 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Punugupati, Sandhyarani;Narayan, Jagdish;Hunte, Frank;
7:5:66:2 Fabrication of Chromium (III) Oxide (Cr2O3) Coating by Electrophoretic Deposition
DOI:10.1111/jace.13147 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:1 AU: Zhang, Daixiong;Li, Xueming;Qin, Bo;Li, Xiaolin;Guo, Xiaogang;Lai, Chuan;
7:5:66:3 Enlarged Mn 3s splitting and room-temperature ferromagnetism in epitaxially grown oxygen doped Mn2N0.86 films
DOI:10.1063/1.4901210 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Meng, M.;Wu, S. X.;Ren, L. Z.;Zhou, W. Q.;Wang, Y. J.;Wang, G. L.;Li, S. W.;
7:5:66:4 Epitaxial growth of Cr2O3 thin film on Al2O3 (0001) substrate by radio frequency magnetron sputtering combined with rapid-thermal annealing
DOI:10.1016/j.tsf.2010.01.046 JN:THIN SOLID FILMS PY:2010 TC:10 AU: Jeong, Sang-Yong;Lee, Jin-Bok;Na, Hyunseok;Seong, Tae-Yeon;
7:5:66:5 Structural and electrical properties of Ni-Cr oxide films prepared by magnetron sputtering
DOI:10.1016/j.tsf.2011.10.027 JN:THIN SOLID FILMS PY:2012 TC:1 AU: Saito, N.;Nakaaki, I.;Iwata, H.;Nishioka, K.;
7:5:66:6 Growth and magnetic property of xi-phase Mn2N1 +/- x thin films by plasma-assisted molecular beam epitaxy
DOI:10.1063/1.3386516 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:5 AU: Liu, Yajing;Xu, Lingmin;Li, Xinyu;Hu, Ping;Li, Shuwei;
7:5:66:7 Cr2O3 thin films grown at room temperature by low pressure laser chemical vapour deposition
DOI:10.1016/j.tsf.2011.01.382 JN:THIN SOLID FILMS PY:2011 TC:9 AU: Sousa, P. M.;Silvestre, A. J.;Conde, O.;
7:5:66:8 Magnetic configuration, electronic structure, and stability of the low-index surfaces of eta-Mn3N2: A first-principles study
DOI:10.1103/PhysRevB.86.155455 JN:PHYSICAL REVIEW B PY:2012 TC:0 AU: Kedziorski, Andrzej;Carmen Munoz, M.;
7:5:67:1 Strong magnetoelastic coupling in orthorhombic Eu1-xYxMnO3 manganite
DOI:10.1103/PhysRevB.82.094418 JN:PHYSICAL REVIEW B PY:2010 TC:10 AU: Moreira, J. Agostinho;Almeida, A.;Ferreira, W. S.;Araujo, J. P.;Pereira, A. M.;Chaves, M. R.;Costa, M. M. R.;Khomchenko, V. A.;Kreisel, J.;Chernyshov, D.;Vilela, S. M. F.;Tavares, P. B.;
7:5:67:2 Coupling between phonons and magnetic excitations in orthorhombic Eu1-xYxMnO3
DOI:10.1103/PhysRevB.81.054447 JN:PHYSICAL REVIEW B PY:2010 TC:14 AU: Moreira, J. Agostinho;Almeida, A.;Ferreira, W. S.;Araujo, J. E.;Pereira, A. M.;Chaves, M. R.;Kreisel, J.;Vilela, S. M. F.;Tavares, P. B.;
7:5:67:3 Composition-dependent spin-phonon coupling in mixed crystals of the multiferroic manganite Eu1-xYxMnO3 (0 <= x <= 0.5) studied by Raman spectroscopy
DOI:10.1103/PhysRevB.81.024304 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Issing, S.;Pimenov, A.;Ivanov, V. Yu.;Mukhin, A. A.;Geurts, J.;
7:5:67:4 Evidence of electron-phonon and spin-phonon couplings at the Verwey transition in Fe3O4
DOI:10.1103/PhysRevB.90.024302 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Kumar, Ankit;Chaudhary, Sujeet;Pandya, Dinesh K.;Sharma, Shiv K.;
7:5:67:5 Phase diagram of the orthorhombic, lightly lutetium doped EuMnO3 magnetoelectric system
DOI:10.1103/PhysRevB.84.094414 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Oliveira, J.;Agostinho Moreira, J.;Almeida, A.;Chaves, M. R.;da Silva, J. M. M.;Oliveira, J. B.;Sa, M. A.;Tavares, P. B.;Ranjith, R.;Prellier, W.;
7:5:67:6 Effect of the external fields on the polar and dielectric properties of Eu0.8Y0.2MnO3
DOI:10.1063/1.3291122 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:6 AU: Moreira, J. Agostinho;Almeida, A.;Ferreira, W. S.;Chaves, M. R.;Vilela, S. M. F.;Tavares, P. B.;Kundys, B.;Ranjith, R.;Prellier, W.;
7:5:67:7 Long-range transfer of electron-phonon coupling in oxide superlattices
DOI:10.1038/NMAT3378 JN:NATURE MATERIALS PY:2012 TC:16 AU: Driza, N.;Blanco-Canosa, S.;Bakr, M.;Soltan, S.;Khalid, M.;Mustafa, L.;Kawashima, K.;Christiani, G.;Habermeier, H-U.;Khaliullin, G.;Ulrich, C.;Le Tacon, M.;Keimer, B.;
7:5:68:1 Electronic structure and polaronic excitation in FeVO4
DOI:10.1063/1.3646402 JN:APPLIED PHYSICS LETTERS PY:2011 TC:4 AU: Dixit, A.;Chen, P.;Lawes, G.;Musfeldt, J. L.;
7:5:68:2 Spin fluctuations and frustrated magnetism in multiferroic FeVO4
DOI:10.1103/PhysRevB.89.174412 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Zhang, J.;Ma, L.;Dai, J.;Zhang, Y. P.;He, Zhangzhen;Normand, B.;Yu, Weiqiang;
7:5:68:3 High Temperature Structural, Dielectric, and Ion Conduction Properties of Orthorhombic InVO4
DOI:10.1111/j.1551-2916.2012.05447.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:2 AU: Katari, Vasundhara;Patwe, Sadequa J.;Achary, Srungarpu N.;Tyagi, Avesh K.;
7:5:68:4 Photocatalytic Activity of Novel Ag4V2O7 Photocatalyst Under Visible Light Irradiation
DOI:10.1111/jace.12639 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:6 AU: Wang, Jinxiu;Yang, Xue;Chen, Jing;Xian, Jiangjun;Meng, Sugang;Zheng, Yi;Shao, Yu;Li, Danzhen;
7:5:68:5 Magnetic structure and magnetoelectric coupling in bulk and thin film FeVO4
DOI:10.1103/PhysRevB.82.024430 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Dixit, A.;Lawes, G.;Harris, A. B.;
7:5:68:6 Hydrothermally grown porous FeVO4 nanorods and their integration as active material in gas-sensing devices
DOI:10.1039/c3ta12821k JN:JOURNAL OF MATERIALS CHEMISTRY A PY:2014 TC:1 AU: Lehnen, Thomas;Valldor, Martin;Niznansky, Daniel;Mathur, Sanjay;
7:5:68:7 Study on conductivity and redox stability of iron orthovanadate
DOI:10.1016/j.matchemphys.2011.01.009 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:7 AU: Cowin, Peter I.;Lan, Rong;Zhang, Lei;Petit, Christophe T. G.;Kraft, Arno;Tao, Shanwen;
7:5:68:8 Surfactant-free synthesis and electrochemical properties of chrysanthemum-like InVO4 hierarchical microstructures
DOI:10.1016/j.materresbull.2010.08.019 JN:MATERIALS RESEARCH BULLETIN PY:2010 TC:3 AU: Li, Benxia;Wang, Yanfen;
7:5:68:9 Multiferroicity in the geometrically frustrated FeTe2O5Cl
DOI:10.1103/PhysRevB.88.224421 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:5:69:1:1 Observation of quadrupole helix chirality and its domain structure in DyFe3(BO3)(4)
DOI:10.1038/NMAT3942 JN:NATURE MATERIALS PY:2014 TC:4 AU: Usui, T.;Tanaka, Y.;Nakajima, H.;Taguchi, M.;Chainani, A.;Oura, M.;Shin, S.;Katayama, N.;Sawa, H.;Wakabayashi, Y.;Kimura, T.;
7:5:69:1:2 Birefringence and polarization rotation in resonant x-ray diffraction
DOI:10.1103/PhysRevB.86.220101 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;
7:5:69:1:3 Determination of structural chirality of berlinite and quartz using resonant x-ray diffraction with circularly polarized x-rays
DOI:10.1103/PhysRevB.81.144104 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Tanaka, Yoshikazu;Kojima, Taro;Takata, Yasutaka;Chainani, Ashish;Lovesey, Stephen W.;Knight, Kevin S.;Takeuchi, Tomoyuki;Oura, Masaki;Senba, Yasunori;Ohashi, Haruhiko;Shin, Shik;
7:5:69:1:4 Resonant x-ray scattering from chiral materials: alpha-quartz and alpha-berlinite
DOI:10.1103/PhysRevB.86.104116 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Igarashi, Jun-ichi;Takahashi, Manabu;
7:5:69:1:5 Chirality, birefringence, and polarization effects in alpha-quartz studied by resonant elastic x-ray scattering
DOI:10.1103/PhysRevB.89.224108 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Joly, Yves;Tanaka, Yoshikazu;Cabaret, Delphine;Collins, Stephen P.;
7:5:69:1:6 Determination of structural chirality of berlinite and quartz using resonant x-ray diffraction with circularly polarized x-rays (vol 81, 144104, 2010)
DOI:10.1103/PhysRevB.84.219905 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Tanaka, Yoshikazu;Kojima, Taro;Takata, Yasutaka;Chainani, Ashish;Lovesey, Stephen W.;Knight, Kevin S.;Takeuchi, Tomoyuki;Oura, Masaki;Senba, Yasunori;Ohashi, Haruhiko;Shin, Shik;
7:5:69:1:7 Flux growth and spin reorientation in trigonal Nd1-xDyxFe3(BO3)(4) single crystals
DOI:10.1016/j.jcrysgro.2010.05.013 JN:JOURNAL OF CRYSTAL GROWTH PY:2010 TC:18 AU: Gudim, I. A.;Eremin, E. V.;Temerov, V. L.;
7:5:69:2:1 Magneto-optical activity of f-f transitions and properties of 4 f states in single-crystal DyFe3(BO3)(4)
DOI:10.1103/PhysRevB.88.075103 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Malakhovskii, A. V.;Sukhachev, A. L.;Strokova, A. Yu.;Gudim, I. A.;
7:5:69:2:2 Magneto-optical spectroscopy of Yb3+ ions in huntite structure
DOI:10.1016/j.jmmm.2009.08.019 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:3 AU: Sukhachev, A. L.;Malakhovskii, A. V.;Edelman, I. S.;Zabluda, V. N.;Temerov, V. L.;Makievskii, I. Ya.;
7:5:69:2:3 Magneto-optical activity and luminescence of f-f transitions in trigonal crystal TmAl3(BO3)(4)
DOI:10.1016/j.optmat.2010.02.023 JN:OPTICAL MATERIALS PY:2010 TC:1 AU: Malakhovskii, A. V.;Valley, U. V.;Edelman, I. S.;Sokolov, A. E.;Chesnokov, I. Yu;Gudim, I. A.;
7:5:70:1 Strong enhancement of magnetoelectric coupling in Dy3+ doped HoMnO3
DOI:10.1063/1.4733367 JN:APPLIED PHYSICS LETTERS PY:2012 TC:8 AU: Magesh, J.;Murugavel, P.;Mangalam, R. V. K.;Singh, K.;Simon, Ch;Prellier, W.;
7:5:70:2 Magnetic excitations in multiferroic LuMnO3 studied by inelastic neutron scattering
DOI:10.1103/PhysRevB.82.184420 JN:PHYSICAL REVIEW B PY:2010 TC:11 AU: Lewtas, H. J.;Boothroyd, A. T.;Rotter, M.;Prabhakaran, D.;Mueller, H.;Le, M. D.;Roessli, B.;Gavilano, J.;Bourges, P.;
7:5:70:3 Study of magnetodielectric effect in hexagonal Ho1-xDyxMnO3
DOI:10.1063/1.4767380 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Magesh, J.;Murugavel, P.;Mangalam, R. V. K.;Singh, K.;Simon, Ch.;Prellier, W.;
7:5:70:4 Role of rare earth on the Mn3+ spin reorientation in multiferroic Ho1-xLuxMnO3
DOI:10.1063/1.4819969 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Magesh, J.;Murugavel, P.;Mangalam, R. V. K.;Singh, K.;Simon, Ch;Prellier, W.;
7:5:70:5 Oxygen displacements and magnetoelectric coupling in LuMnO3
DOI:10.1103/PhysRevB.86.094419 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Tong, P.;Louca, Despina;Lee, Nara;Cheong, S. -W.;
7:5:70:6 Low-temperature properties of Ca-doped YbMnO3 multiferroic single crystals
DOI:10.1063/1.3556961 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Abramov, N.;Chichkov, V.;Lofland, S. E.;Mukovskii, Y. M.;
7:5:71:1 Mn2FeSbO6: A ferrimagnetic ilmenite and an antiferromagnetic perovskite
DOI:10.1103/PhysRevB.87.014408 JN:PHYSICAL REVIEW B PY:2013 TC:6 AU: Mathieu, R.;Ivanov, S. A.;Solovyev, I. V.;Bazuev, G. V.;Kumar, P. Anil;Lazor, P.;Nordblad, P.;
7:5:71:2 Incommensurate spin order in the metallic perovskite MnVO3
DOI:10.1103/PhysRevB.84.094450 JN:PHYSICAL REVIEW B PY:2011 TC:14 AU: Markkula, Mikael;Arevalo-Lopez, Angel M.;Kusmartseva, Anna;Rodgers, Jennifer A.;Ritter, Clemens;Wu, Hua;Attfield, J. Paul;
7:5:71:3 Investigation of the magnetic phase transition and magnetocaloric properties of the Mn2FeSbO6 ilmenite
DOI:10.1016/j.jmmm.2012.11.040 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:0 AU: Hudl, M.;Mathieu, R.;Nordblad, P.;Ivanov, S. A.;Bazuev, G. V.;Lazor, P.;
7:5:71:4 Weak ferromagnetism and domain effects in multiferroic LiNbO3-type MnTiO3-II
DOI:10.1103/PhysRevB.88.104416 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Arevalo-Lopez, Angel M.;Attfield, J. Paul;
7:5:71:5 Magnetic order near 270 K in mineral and synthetic Mn2FeSbO6 ilmenite
DOI:10.1063/1.3593194 JN:APPLIED PHYSICS LETTERS PY:2011 TC:2 AU: Mathieu, R.;Ivanov, S. A.;Bazuev, G. V.;Hudl, M.;Lazor, P.;Solovyev, I. V.;Nordblad, P.;
7:5:71:6 Site-Selective Doping Effect in AMn(3)V(4)O(12) (A = Na+, Ca2+, and La3+)
DOI:10.1021/ja308851f JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2013 TC:6 AU: Zhang, Shoubao;Saito, Takashi;Mizumaki, Masaichiro;Chen, Wei-tin;Tohyama, Takenori;Shimakawa, Yuichi;
7:5:71:7 B-Cation Order Control of Magnetism in the 1322 Perovskite CaCu3Fe2Nb2O12
DOI:10.1021/cm502064b JN:CHEMISTRY OF MATERIALS PY:2014 TC:0 AU: Senn, Mark S.;Chen, Wei-tin;Saito, Takashi;Garcia-Martin, Susana;Attfield, J. Paul;Shimakawa, Yuichi;
7:5:72:1 Symmetry analysis of magneto-optical effects: The case of x-ray diffraction and x-ray absorption at the transition metal L-2,L-3 edge
DOI:10.1103/PhysRevB.82.094403 JN:PHYSICAL REVIEW B PY:2010 TC:15 AU: Haverkort, M. W.;Hollmann, N.;Krug, I. P.;Tanaka, A.;
7:5:72:2 Spin-chiral domains in Ba0.5Sr1.5Zn2Fe12O22 observed by scanning resonant x-ray microdiffraction
DOI:10.1103/PhysRevB.84.064418 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Hiraoka, Y.;Tanaka, Y.;Kojima, T.;Takata, Y.;Oura, M.;Senba, Y.;Ohashi, H.;Wakabayashi, Y.;Shin, S.;Kimura, T.;
7:5:72:3 Circularly polarized soft x-ray diffraction study of helical magnetism in hexaferrite
DOI:10.1103/PhysRevB.81.092405 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Mulders, A. M.;Lawrence, S. M.;Princep, A. J.;Staub, U.;Bodenthin, Y.;Garcia-Fernandez, M.;Garganourakis, M.;Hester, J.;Macquart, R.;Ling, C. D.;
7:5:72:4 Origin of the anomalous low-temperature phase transition in BaVS3
DOI:10.1103/PhysRevB.84.014409 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: de Souza, R. A.;Staub, U.;Scagnoli, V.;Garganourakis, M.;Bodenthin, Y.;Berger, H.;
7:5:72:5 Ground State of the Quasi-1D Compound BaVS3 Resolved by Resonant Magnetic X-Ray Scattering
DOI:10.1103/PhysRevLett.106.167203 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:6 AU: Leininger, Ph.;Ilakovac, V.;Joly, Y.;Schierle, E.;Weschke, E.;Bunau, O.;Berger, H.;Pouget, J. -P.;Foury-Leylekian, P.;
7:5:72:6 Antiferromagnetic domain structure in bilayer manganite
DOI:10.1103/PhysRevB.88.075134 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Garcia-Fernandez, M.;Wilkins, S. B.;Lu, Ming;Li, Qing'an;Gray, K. E.;Zheng, H.;Mitchell, J. F.;Khomskii, Daniel;
7:5:72:7 Antiferromagnetic domain structure in bilayer manganite (vol 88, 075134, 2013)
DOI:10.1103/PhysRevB.88.079905 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Garcia-Fernandez, M.;Wilkins, S. B.;Lu, Ming;Li, Qing'an;Gray, K. E.;Zheng, H.;Mitchell, J. F.;Khomskii, Daniel;
7:5:73:1 Spin dynamics and magnetoelectric properties of the coupled-spin tetrahedral compound Cu2Te2O5Cl2
DOI:10.1103/PhysRevB.90.054418 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Besara, T.;Choi, E. S.;Choi, K. -Y.;Kuhns, P. L.;Reyes, A. P.;Lemmens, P.;Berger, H.;Dalal, N. S.;
7:5:73:2 Weak first-order quantum phase transition in the spin-tetrahedron system Cu2Te2O5Br2 without lattice contributions
DOI:10.1103/PhysRevB.83.134403 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Wang, X.;Syassen, K.;Johnsson, M.;Moessner, R.;Choi, K. -Y.;Lemmens, P.;
7:5:73:3 Unconventional spin freezing in the highly two-dimensional spin-1/2 kagome antiferromagnet Cd2Cu3(OH)(6)(SO4)(24)H2O: Evidence of partial order and coexisting spin singlet state on a distorted kagome lattice
DOI:10.1103/PhysRevB.89.100401 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Fujihala, Masayoshi;Zheng, Xu-Guang;Morodomi, Hiroki;Kawae, Tatsuya;Matsuo, Akira;Kindo, Koichi;Watanabe, Isao;
7:5:73:4 Magnetic transition in K4Cu4OCl10: A model system of three-dimensional spin-1/2 tetrahedra
DOI:10.1103/PhysRevB.87.144425 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Fujihala, Masayoshi;Zheng, Xu-Guang;Morodomi, Hiroki;Kawae, Tatsuya;Watanabe, Isao;
7:5:73:5 NMR and NQR study of the tetrahedral frustrated quantum spin system Cu2Te2O5Br2 in its paramagnetic phase
DOI:10.1103/PhysRevB.82.214416 JN:PHYSICAL REVIEW B PY:2010 TC:6 AU: Comment, Arnaud;Mayaffre, Hadrien;Mitrovic, Vesna;Horvatic, Mladen;Berthier, Claude;Grenier, Beatrice;Millet, Patrice;
7:5:73:6 Persistence of singlet fluctuations in the coupled spin tetrahedra system Cu2Te2O5Br2 revealed by high-field magnetization, Br-79 NQR, and Te-125 NMR
DOI:10.1103/PhysRevB.86.180405 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal;perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing;parameter on the structural, electronic, and magnetic properties;PHYSICAL REVIEW B;86;23;235117;10.1103/PhysRevB.86.235117;DEC 13 2012;2012;We assess the performance of the Heyd-Scuseria-Ernzerhof (HSE) screened;hybrid density functional scheme applied to the perovskite family LaMO3;(M = Sc-Cu) and discuss the role of the mixing parameter alpha [which;determines the fraction of exact Hartree-Fock exchange included in the;density functional theory (DFT) exchange-correlation functional] on the;structural, electronic, and magnetic properties. The physical complexity;of this class of compounds, manifested by the largely varying electronic;characters (band/Mott-Hubbard/charge-transfer insulators and metals),;magnetic orderings, structural distortions (cooperative Jahn-Teller-type;instabilities), as well as by the strong competition between;localization/delocalization effects associated with the gradual filling;of the t(2g) and e(g) orbitals, symbolize a critical and challenging;case for theory. Our results indicate that HSE is able to provide a;consistent picture of the complex physical scenario encountered across;the LaMO3 series and significantly improve the standard DFT description.;The only exceptions are the correlated paramagnetic metals LaNiO3 and;LaCuO3, which are found to be treated better within DFT. By fitting the;ground-state properties with respect to alpha, we have constructed a set;of "optimum" values of alpha from LaScO3 to LaCuO3: it is found that the;optimum mixing parameter decreases with increasing filling of the d;manifold (LaScO3: 0.25; LaTiO3 and LaVO3: 0.10-0.15; LaCrO3, LaMnO3, and;LaFeO3: 0.15; LaCoO3: 0.05; LaNiO3 and LaCuO3: 0). This trend can be;nicely correlated with the modulation of the screening and dielectric;properties across the LaMO3 series, thus providing a physical;justification to the empirical fitting procedure. Finally, we show that;by using this set of optimum mixing parameter, HSE predict dielectric;constants in very good agreement with the experimental ones.;17;1;1;0;17;1098-0121;WOS:000312291900002;;;J;Imura, Ken-Ichiro;Yoshimura, Yukinori;Takane, Yositake;Fukui, Takahiro;Spherical topological insulator;PHYSICAL REVIEW B;86;23;235119;10.1103/PhysRevB.86.235119;DEC 13 2012;2012;The electronic spectrum on the spherical surface of a topological;insulator reflects an active property of the helical surface state that;stems from a constraint on its spin on a curved surface. The induced;spin connection can be interpreted as an effective vector potential;associated with a fictitious magnetic monopole induced at the center of;the sphere. The strength of the induced magnetic monopole is found to be;g = +/-2 pi, being the smallest finite (absolute) value compatible with;the Dirac quantization condition. We have established an explicit;correspondence between the bulk Hamiltonian and the effective Dirac;operator on the curved spherical surface. An explicit construction of;the surface spinor wave functions implies a rich spin texture possibly;realized on the surface of topological insulator nanoparticles. The;electronic spectrum inferred by the obtained effective surface Dirac;theory, confirmed also by the bulk tight-binding calculation, suggests a;specific photoabsorption/emission spectrum of such nanoparticles.;Imura, Ken/D-6633-2013;6;0;0;0;6;1098-0121;WOS:000312291900004;;;J;Kamburov, D.;Shayegan, M.;Winkler, R.;Pfeiffer, L. N.;West, K. W.;Baldwin, K. W.;Anisotropic Fermi contour of (001) GaAs holes in parallel magnetic;fields;PHYSICAL REVIEW B;86;24;241302;10.1103/PhysRevB.86.241302;DEC 13 2012;2012;We report a severe, spin-dependent, Fermi contour anisotropy induced by;parallel magnetic field in a high-mobility (001) GaAs two-dimensional;hole system. Employing commensurability oscillations created by a;unidirectional, surface-strain-induced, periodic potential modulation,;we directly probe the anisotropy of the two spin subband Fermi contours.;Their areas are obtained from the Fourier transform of the Shubnikov-de;Haas oscillations. Our findings are in semiquantitative agreement with;the results of parameter-free calculations of the energy bands. DOI:;10.1103/PhysRevB.86.241302;5;0;0;0;5;1098-0121;WOS:000312292600001;;;J;Kourtis, Stefanos;Venderbos, Joern W. F.;Daghofer, Maria;Fractional Chern insulator on a triangular lattice of strongly;correlated t(2g) electrons;PHYSICAL REVIEW B;86;23;235118;10.1103/PhysRevB.86.235118;DEC 13 2012;2012;We discuss the low-energy limit of three-orbital Kondo-lattice and;Hubbard models describing t(2g) orbitals on a triangular lattice near;half-filling. We analyze how very flat single-particle bands with;nontrivial topological character, a Chern number C = +/-1, arise both in;the limit of infinite on-site interactions as well as in more realistic;regimes. Exact diagonalization is then used to investigate an effective;one-orbital spinless-fermion model at fractional fillings including;nearest-neighbor interaction V; it reveals signatures of fractional;Chern insulator (FCI) states for several filling fractions. In addition;to indications based on energies, e. g., flux insertion and fractional;statistics of quasiholes, Chern numbers are obtained. It is shown that;FCI states are robust against disorder in the underlying magnetic;texture that defines the topological character of the band. We also;investigate competition between a FCI state and a charge density wave;(CDW) and discuss the effects of particle-hole asymmetry and;Fermi-surface nesting. FCI states turn out to be rather robust and do;not require very flat bands, but can also arise when filling or an;absence of Fermi-surface nesting disfavor the competing CDW.;Nevertheless, very flat bands allow FCI states to be induced by weaker;interactions than those needed for more dispersive bands.;Daghofer, Maria/C-5762-2008;Daghofer, Maria/0000-0001-9434-8937;10;0;0;0;10;1098-0121;WOS:000312291900003;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;23;230001;10.1103/PhysRevB.86.230001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312291900001;;;J;Molenkamp, Laurens W.;Editorial: The End of PRB Brief Reports;PHYSICAL REVIEW B;86;21;210001;10.1103/PhysRevB.86.210001;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700001;;;J;Ochoa, H.;Castro Neto, A. H.;Fal'ko, V. I.;Guinea, F.;Spin-orbit coupling assisted by flexural phonons in graphene;PHYSICAL REVIEW B;86;24;245411;10.1103/PhysRevB.86.245411;DEC 13 2012;2012;We analyze the couplings between spins and phonons in graphene. We;present a complete analysis of the possible couplings between spins and;flexural, out-of-plane, vibrations. From tight-binding models, we obtain;analytical and numerical estimates of their strength. We show that;dynamical effects, induced by quantum and thermal fluctuations,;significantly enhance the spin-orbit gap. DOI:;10.1103/PhysRevB.86.245411;Guinea, Francisco/A-7122-2008; Castro Neto, Antonio/C-8363-2014;Guinea, Francisco/0000-0001-5915-5427; Castro Neto,;Antonio/0000-0003-0613-4010;9;1;0;0;9;1098-0121;WOS:000312292600005;;;J;Suewattana, Malliga;Singh, David J.;Limpijumnong, Sukit;Crystal structure and cation off-centering in Bi(Mg1/2Ti1/2)O-3 (vol 86,;064105, 2012);PHYSICAL REVIEW B;86;21;219903;10.1103/PhysRevB.86.219903;DEC 13 2012;2012;0;0;0;0;0;1098-0121;WOS:000312290700002;;;J;Wei, Haiqing;Liu, Shiyuan;Comment on "Three-dimensional imaging of a phase object from a single;sample orientation using an optical laser";PHYSICAL REVIEW B;86;22;226101;10.1103/PhysRevB.86.226101;DEC 13 2012;2012;A recent article by Chen et al. [Phys. Rev. B 84, 224104 (2011)];purports a "matrix rank analysis" and an optical experiment in support;of the three-dimensional (3D) imaging technique called "ankylography.";However, the mathematical analysis does not appear to be conclusive, and;the one used in the experiment is more a 3D-supported scattering object;of actually 2D complexity than a 3D-distributed scattering object of;truly 3D complexity. Consequently, the article provides little support;to the "ankylography" technique. DOI: 10.1103/PhysRevB.86.226101;Liu, Shiyuan/H-1463-2012;Liu, Shiyuan/0000-0002-0756-1439;1;0;0;0;1;1098-0121;WOS:000312291200003;;;J;Bobes, Omar;Zhang, Kun;Hofsaess, Hans;Ion beam induced surface patterns due to mass redistribution and;curvature-dependent sputtering;PHYSICAL REVIEW B;86;23;235414;10.1103/PhysRevB.86.235414;DEC 12 2012;2012;Recently it was reported that ion-induced mass redistribution would;solely determine nano pattern formation on ion-irradiated surfaces. We;investigate the pattern formation on amorphous carbon thin films;irradiated with Xe ions of energies between 200 eV and 10 keV. Sputter;yield as well as number of displacements within the collision cascade;vary strongly as function of ion energy and allow us to investigate the;contributions of curvature-dependent erosion according to the;Bradley-Harper model as well as mass redistribution according to the;Carter-Vishnyakov model. We find parallel ripple orientations for an ion;incidence angle of 60 degrees and for all energies. A transition to;perpendicular pattern orientation or a rather flat surface occurs around;80 degrees for energies between 1 keV and 10 keV. Our results are;compared with calculations based on both models. For the calculations we;extract the shape and size of Sigmund's energy ellipsoid (parameters a,;sigma, mu), the angle-dependent sputter yield, and the mean mass;redistribution distance from the Monte Carlo simulations with program;SDTrimSP. The calculated curvature coefficients S-x and S-y describing;the height evolution of the surface show that mass redistribution is;dominant for parallel pattern formation in the whole energy regime.;Furthermore, the angle where the parallel pattern orientation starts to;disappear is related to curvature-dependent sputtering. In addition, we;investigate the case of Pt erosion with 200 eV Ne ions, where mass;redistribution vanishes. In this case, we observe perpendicular ripple;orientation in accordance with curvature-dependent sputtering and the;predictions of the Bradley-Harper model.;10;0;0;0;10;1098-0121;WOS:000312291600004;;;J;Bradlyn, Barry;Goldstein, Moshe;Read, N.;Kubo formulas for viscosity: Hall viscosity, Ward identities, and the;relation with conductivity;PHYSICAL REVIEW B;86;24;245309;10.1103/PhysRevB.86.245309;DEC 12 2012;2012;Motivated by recent work on Hall viscosity, we derive from first;principles the Kubo formulas for the stress-stress response function at;zero wave vector that can be used to define the full complex;frequency-dependent viscosity tensor, both with and without a uniform;magnetic field. The formulas in the existing literature are frequently;incomplete, incorrect, or lack a derivation; in particular, Hall;viscosity is overlooked. Our approach begins from the response to a;uniform external strain field, which is an active time-dependent;coordinate transformation in d space dimensions. These transformations;form the group GL(d, R) of invertible matrices, and the infinitesimal;generators are called strain generators. These enable us to express the;Kubo formula in different ways, related by Ward identities; some of;these make contact with the adiabatic transport approach. The importance;of retaining contact terms, analogous to the diamagnetic term in the;familiar Kubo formula for conductivity, is emphasized. For;Galilean-invariant systems, we derive a relation between the stress;response tensor and the conductivity tensor that is valid at all;frequencies and in both the presence and absence of a magnetic field. In;the presence of a magnetic field and at low frequency, this yields a;relation between the Hall viscosity, the q(2) part of the Hall;conductivity, the inverse compressibility (suitably defined), and the;diverging part of the shear viscosity (if any); this relation;generalizes a result found recently by others. We show that the correct;value of the Hall viscosity at zero frequency can be obtained (at least;in the absence of low-frequency bulk and shear viscosity) by assuming;that there is an orbital spin per particle that couples to a perturbing;electromagnetic field as a magnetization per particle. We study several;examples as checks on our formulation. We also present formulas for the;stress response that directly generalize the Berry (adiabatic) curvature;expressions for zero-frequency Hall conductivity or viscosity to the;full tensors at all frequencies. DOI: 10.1103/PhysRevB.86.245309;Read, Nicholas/J-6030-2012;21;0;0;0;21;1098-0121;WOS:000312292400010;;;J;Calvo, Hernan L.;Classen, Laura;Splettstoesser, Janine;Wegewijs, Maarten R.;Interaction-induced charge and spin pumping through a quantum dot at;finite bias;PHYSICAL REVIEW B;86;24;245308;10.1103/PhysRevB.86.245308;DEC 12 2012;2012;We investigate charge and spin transport through an adiabatically;driven, strongly interacting quantum dot weakly coupled to two metallic;contacts with finite bias voltage. Within a kinetic equation approach,;we identify coefficients of response to the time-dependent external;driving and relate these to the concepts of charge and spin emissivities;previously discussed within the time-dependent scattering matrix;approach. Expressed in terms of auxiliary vector fields, the response;coefficients allow for a straightforward analysis of recently predicted;interaction-induced pumping under periodic modulation of the gate and;bias voltage [Reckermann et al., Phys. Rev. Lett. 104, 226803 (2010)].;We perform a detailed study of this effect and the related adiabatic;Coulomb blockade spectroscopy, and, in particular, extend it to spin;pumping. Analytic formulas for the pumped charge and spin in the regimes;of small and large driving amplitude are provided for arbitrary bias. In;the absence of a magnetic field, we obtain a striking, simple relation;between the pumped charge at zero bias and at bias equal to the Coulomb;charging energy. At finite magnetic field, there is a possibility to;have interaction-induced pure spin pumping at this finite bias value,;and generally, additional features appear in the pumped charge. For;large-amplitude adiabatic driving, the magnitude of both the pumped;charge and spin at the various resonances saturates at values which are;independent of the specific shape of the pumping cycle. Each of these;values provides an independent, quantitative measure of the junction;asymmetry. DOI: 10.1103/PhysRevB.86.245308;Calvo, Hernan/D-9825-2011; Wegewijs, Maarten/A-3512-2012; Splettstoesser, Janine/B-4003-2012;Wegewijs, Maarten/0000-0002-2972-3822;;6;0;1;0;6;1098-0121;WOS:000312292400009;;;J;Drummond, David;Pryadko, Leonid P.;Shtengel, Kirill;Suppression of hyperfine dephasing by spatial exchange of double quantum;dots;PHYSICAL REVIEW B;86;24;245307;10.1103/PhysRevB.86.245307;DEC 12 2012;2012;We examine the logical qubit system of a pair of electron spins in;double quantum dots. Each electron experiences a different hyperfine;interaction with the local nuclei of the lattice, leading to a relative;phase difference, and thus decoherence. Methods such as nuclei;polarization, state narrowing, and spin-echo pulses have been proposed;to delay decoherence. Instead we propose to suppress hyperfine dephasing;by the adiabatic rotation of the dots in real space, leading to the same;average hyperfine interaction. We show that the additional effects due;to the motion in the presence of spin-orbit coupling are still smaller;than the hyperfine interaction, and result in an infidelity below 10(-4);after ten decoupling cycles. We discuss a possible experimental setup;and physical constraints for this proposal. DOI:;10.1103/PhysRevB.86.245307;0;0;0;0;0;1098-0121;WOS:000312292400008;;;J;Estienne, B.;Regnault, N.;Bernevig, B. A.;D-algebra structure of topological insulators;PHYSICAL REVIEW B;86;24;241104;10.1103/PhysRevB.86.241104;DEC 12 2012;2012;In the quantum Hall effect, the density operators at different wave;vectors generally do not commute and give rise to the Girvin-MacDonald-;Plazmann (GMP) algebra, with important consequences such as ground-state;center-of-mass degeneracy at fractional filling fraction, and;W1+infinity symmetry of the filled Landau levels. We show that the;natural generalization of the GMP algebra to higher-dimensional;topological insulators involves the concept of a D commutator. For;insulators in even-dimensional space, the D commutator is isotropic and;closes, and its structure factors are proportional to the D/2 Chern;number. In odd dimensions, the algebra is not isotropic, contains the;weak topological insulator index (layers of the topological insulator in;one fewer dimension), and does not contain the Chern-Simons theta form.;This algebraic structure paves the way towards the identification of;fractional topological insulators through the counting of their;excitations. The possible relation to D-dimensional volume-preserving;diffeomorphisms and parallel transport of extended objects is also;discussed. DOI: 10.1103/PhysRevB.86.241104;7;0;0;0;7;1098-0121;WOS:000312292400001;;;J;Gingrich, E. C.;Quarterman, P.;Wang, Yixing;Loloee, R.;Pratt, W. P., Jr.;Birge, Norman O.;Spin-triplet supercurrent in Co/Ni multilayer Josephson junctions with;perpendicular anisotropy;PHYSICAL REVIEW B;86;22;224506;10.1103/PhysRevB.86.224506;DEC 12 2012;2012;We have measured spin-triplet supercurrent in Josephson junctions of the;form S/F'/F/F'/S, where S is superconducting Nb, F' is a thin Ni layer;with in-plane magnetization, and F is a Ni/[Co/Ni](n) multilayer with;out-of-plane magnetization. The supercurrent in these junctions decays;very slowly with F-layer thickness and is much larger than in similar;junctions not containing the two F' layers. Those two features are the;characteristic signatures of spin-triplet supercurrent, which is;maximized by the orthogonality of the magnetizations in the F and F';layers. Magnetic measurements confirm the out-of-plane anisotropy of the;Co/Ni multilayers. These samples have their critical current optimized;in the as-prepared state, which will be useful for future applications.;DOI: 10.1103/PhysRevB.86.224506;7;1;0;0;7;1098-0121;WOS:000312291100001;;;J;Golub, Anatoly;Grosfeld, Eytan;Charge resistance in a Majorana RC circuit;PHYSICAL REVIEW B;86;24;241105;10.1103/PhysRevB.86.241105;DEC 12 2012;2012;We investigate the dynamical charge response in a "Majorana Coulomb box";realized by two Majorana bound states hosted at the ends of a mesoscopic;topological superconductor. One side of the wire is coupled to a normal;lead and low frequency gate voltage is applied to the system. There is;no dc current; the system can be considered as an RC quantum circuit. We;calculate the effective capacitance and charge relaxation resistance.;The latter is in agreement with the Korringa-Shiba formula where,;however, the charge relaxation resistance is equal to h/2e(2). This;value corresponds to the strong Coulomb blockade limit described by a;resonant model formulated by Fu [Phys. Rev. Lett. 104, 056402 (2010)].;We also performed direct calculations using the latter model and defined;its parameters by direct comparison with our perturbation theory;results. DOI: 10.1103/PhysRevB.86.241105;4;1;0;0;4;1098-0121;WOS:000312292400002;;;J;Guenter, T.;Rubano, A.;Paparo, D.;Lilienblum, M.;Marrucci, L.;Granozio, F. Miletto;di Uccio, U. Scotti;Jany, R.;Richter, C.;Mannhart, J.;Fiebig, M.;Spatial inhomogeneities at the LaAlO3/SrTiO3 interface: Evidence from;second harmonic generation;PHYSICAL REVIEW B;86;23;235418;10.1103/PhysRevB.86.235418;DEC 12 2012;2012;Phase-sensitive, spatially resolved optical second-harmonic-generation;experiments were performed on LaAlO3/SrTiO3 heterostructures. Lateral;inhomogeneities on a length scale of approximate to 30 mu m are found;when a one-unit-cell-thick epitaxial monolayer of LaAlO3 is grown on;TiO2-terminated SrTiO3 single crystals. The inhomogeneity is absent in;samples with LaAlO3 layers of more than one unit cell. The results are;discussed in the framework of electronic, oxidic, and chemical;inhomogeneities.;Marrucci, Lorenzo/A-4331-2012; Richter, Christoph/A-6172-2013;Marrucci, Lorenzo/0000-0002-1154-8966; Richter,;Christoph/0000-0002-6591-1118;7;0;0;0;7;1098-0121;WOS:000312291600008;;;J;Huang, Zhoushen;Arovas, Daniel P.;Entanglement spectrum and Wannier center flow of the Hofstadter problem;PHYSICAL REVIEW B;86;24;245109;10.1103/PhysRevB.86.245109;DEC 12 2012;2012;We examine the quantum entanglement spectra and Wannier functions of the;square lattice Hofstadter model. Consistent with previous work on;entanglement spectra of topological band structures, we find that the;entanglement levels exhibit a spectral flow similar to that of the full;system's energy spectrum. While the energy spectra are continuous, with;cylindrical boundary conditions the entanglement spectra exhibit;discontinuities associated with the passage of an energy edge state;through the Fermi level. We show how the entanglement spectrum can be;understood by examining the band projectors of the full system and their;behavior under adiabatic pumping. In so doing we make connections with;the original work by Thouless, Kohmoto, Nightingale, and den Nijs (TKNN);[Phys. Rev. Lett. 49, 405 (1982)] on topological two-dimensional band;structures and their Chern numbers. Finally, we consider Wannier states;and their adiabatic flows and draw connections to the entanglement;properties. DOI: 10.1103/PhysRevB.86.245109;5;0;0;0;5;1098-0121;WOS:000312292400003;;;J;Humeniuk, Stephan;Roscilde, Tommaso;Quantum Monte Carlo calculation of entanglement Renyi entropies for;generic quantum systems;PHYSICAL REVIEW B;86;23;235116;10.1103/PhysRevB.86.235116;DEC 12 2012;2012;We present a general scheme for the calculation of the Renyi entropy of;a subsystem in quantum many-body models that can be efficiently;simulated via quantum Monte Carlo. When the simulation is performed at;very low temperature, the above approach delivers the entanglement Renyi;entropy of the subsystem, and it allows us to explore the crossover to;the thermal Renyi entropy as the temperature is increased. We implement;this scheme explicitly within the stochastic series expansion as well as;within path-integral Monte Carlo, and apply it to quantum spin and;quantum rotor models. In the case of quantum spins, we show that;relevant models in two dimensions with reduced symmetry (XX model or;hard-core bosons, transverse-field Ising model at the quantum critical;point) exhibit an area law for the scaling of the entanglement entropy.;23;0;0;0;23;1098-0121;WOS:000312291600002;;;J;Jacobs, Th;Katterwe, S. O.;Motzkau, H.;Rydh, A.;Maljuk, A.;Helm, T.;Putzke, C.;Kampert, E.;Kartsovnik, M. V.;Krasnov, V. M.;Electron-tunneling measurements of low-T-c single-layer;Bi2+xSr2-yCuO6+delta: Evidence for a scaling disparity between;superconducting and pseudogap states;PHYSICAL REVIEW B;86;21;214506;10.1103/PhysRevB.86.214506;DEC 12 2012;2012;We experimentally study intrinsic tunneling and high magnetic field (up;to 65 T) transport characteristics of the single-layer cuprate;Bi2+xSr2-yCuO6+delta, with a very low superconducting critical;temperature T-c less than or similar to 4 K. It is observed that the;superconducting gap, the collective bosonic mode energy, the upper;critical field, and the fluctuation temperature range are scaling down;with T-c, while the corresponding pseudogap characteristics remain the;same as in high-T-c cuprates with 20 to 30 times higher T-c. The;observed disparity of the superconducting and pseudogap scales clearly;reveals their different origins. DOI: 10.1103/PhysRevB.86.214506;Kartsovnik, Mark/E-3598-2013; Rydh, Andreas/A-7068-2012;Kartsovnik, Mark/0000-0002-3011-0169; Rydh, Andreas/0000-0001-6641-4861;4;1;0;0;4;1098-0121;WOS:000312290600002;;;J;Klinovaja, Jelena;Ferreira, Gerson J.;Loss, Daniel;Helical states in curved bilayer graphene;PHYSICAL REVIEW B;86;23;235416;10.1103/PhysRevB.86.235416;DEC 12 2012;2012;We study spin effects of quantum wires formed in bilayer graphene by;electrostatic confinement. With a proper choice of the confinement;direction, we show that in the presence of magnetic field, spin orbit;interaction induced by curvature, and intervalley scattering, bound;states emerge that are helical. The localization length of these helical;states can be modulated by the gate voltage which enables the control of;the tunnel coupling between two parallel wires. Allowing for proximity;effect via an s-wave superconductor, we show that the helical modes give;rise to Majorana fermions in bilayer graphene.;J. Ferreira, Gerson/K-1948-2013; Klinovaja, Jelena/L-2510-2013; Loss, Daniel/A-3721-2008;J. Ferreira, Gerson/0000-0002-4933-3119; Loss,;Daniel/0000-0001-5176-3073;17;0;0;0;17;1098-0121;WOS:000312291600006;;;J;Lee, Wei-Cheng;Phillips, Philip W.;Non-Fermi liquid due to orbital fluctuations in iron pnictide;superconductors;PHYSICAL REVIEW B;86;24;245113;10.1103/PhysRevB.86.245113;DEC 12 2012;2012;We study the influence of quantum fluctuations on the electron;self-energy in the normal state of iron pnictide superconductors using a;five-orbital tight-binding model with generalized Hubbard on-site;interactions. Within a one-loop treatment, we find that an overdamped;collective mode develops at low frequency in channels associated with;quasi-one-dimensional d(xz) and d(yz) bands. When the critical point for;the C-4-symmetry-broken phase (structural phase transition) is;approached, the overdamped collective modes soften, and acquire;increased spectral weight, resulting in non-Fermi-liquid behavior at the;Fermi surface characterized by a frequency dependence of the imaginary;part of the electron self-energy of the form. omega(lambda), 0 < lambda;< 1. We argue that this non-Fermi-liquid behavior is responsible for the;recently observed zero-bias enhancement in the tunneling signal in;point-contact spectroscopy. A key experimental test of this proposal is;the absence of non-Fermi-liquid behavior in the hole-doped materials.;Our result suggests that quantum criticality plays an important role in;understanding the normal-state properties of iron pnictide;superconductors. DOI: 10.1103/PhysRevB.86.245113;11;0;0;0;11;1098-0121;WOS:000312292400007;;;J;McKenna, Keith P.;Blumberger, Jochen;Crossover from incoherent to coherent electron tunneling between defects;in MgO;PHYSICAL REVIEW B;86;24;245110;10.1103/PhysRevB.86.245110;DEC 12 2012;2012;Long-range electron tunneling is a fundamental process that is critical;to the performance of oxide materials in microelectronics, energy;generation, and photocatalysis, but extremely challenging to probe;experimentally. Here we devise a computational approach that allows one;to probe the mechanism and calculate the rate of electron transfer (ET);in such materials from first principles. Application to ET between;defects in MgO reveals that the activation energy for ET depends;strongly on defect separation, an effect not usually taken into account;in semiempirical models of ET processes in oxides. Importantly, for;distances below a critical defect separation (6 angstrom), the nature of;ET changes from incoherent to coherent tunneling, suggesting that;existing empirical models require essential modifications. These;calculations extend first-principles modeling of ET in oxides to the;regime of long-range incoherent transport, an outstanding problem;important for modeling many processes of technological relevance. DOI:;10.1103/PhysRevB.86.245110;Blumberger, Jochen/L-5949-2013; McKenna, Keith/A-5084-2010;6;1;0;0;6;1098-0121;WOS:000312292400004;;;J;Mol, L. A. S.;Pereira, A. R.;Moura-Melo, W. A.;Extending spin ice concepts to another geometry: The artificial;triangular spin ice (vol 85, 184410, 2012);PHYSICAL REVIEW B;86;21;219902;10.1103/PhysRevB.86.219902;DEC 12 2012;2012;Mol, Lucas/D-9575-2013;Mol, Lucas/0000-0002-5001-0499;0;0;0;0;0;1098-0121;WOS:000312290600003;;;J;Palotas, Krisztian;Mandi, Gabor;Szunyogh, Laszlo;Orbital-dependent electron tunneling within the atom superposition;approach: Theory and application to W(110);PHYSICAL REVIEW B;86;23;235415;10.1103/PhysRevB.86.235415;DEC 12 2012;2012;We introduce an orbital-dependent electron tunneling model and implement;it within the atom superposition approach for simulating scanning;tunneling microscopy (STM) and spectroscopy (STS). Applying our method,;we analyze the convergence and the orbital contributions to the;tunneling current and the corrugation of constant-current STM images;above the W(110) surface. In accordance with a previous study [Heinze et;al., Phys. Rev. B 58, 16432 (1998)], we find atomic contrast reversal;depending on the bias voltage. Additionally, we analyze this effect;depending on the tip-sample distance using different tip models and find;two qualitatively different behaviors based on the tip orbital;composition. As an explanation, we highlight the role of the real-space;shape of the orbitals involved in the tunneling. STM images calculated;by our model agree well with those obtained using Tersoff and Hamann's;and Bardeen's approaches. The computational efficiency of our model is;remarkable as the k-point samplings of the surface and tip Brillouin;zones do not affect the computation time, in contrast to the Bardeen;method.;Palotas, Krisztian/C-5338-2009;5;0;0;0;5;1098-0121;WOS:000312291600005;;;J;Rodrigues, J. N. B.;Peres, N. M. R.;Lopes dos Santos, J. M. B.;Scattering by linear defects in graphene: A continuum approach;PHYSICAL REVIEW B;86;21;214206;10.1103/PhysRevB.86.214206;DEC 12 2012;2012;We study the low-energy electronic transport across periodic extended;defects in graphene. In the continuum low-energy limit, such defects act;as infinitessimally thin stripes separating two regions where the Dirac;Hamiltonian governs the low-energy phenomena. The behavior of these;systems is defined by the boundary condition imposed by the defect on;the massless Dirac fermions. We demonstrate how this low-energy boundary;condition can be computed from the tight-binding model of the defect;line. For simplicity we consider defect lines oriented along the zigzag;direction, which requires the consideration of only one copy of the;Dirac equation. Three defect lines of this kind are studied and shown to;be mappable between them: the pentagon-only, the zz(558), and the;zz(5757) defect lines. In addition, in this same limit, we calculate the;conductance across such defect lines with size L and find it to be;proportional to k(F)L at low temperatures. DOI:;10.1103/PhysRevB.86.214206;6;0;0;0;6;1098-0121;WOS:000312290600001;;;J;Saloriutta, Karri;Uppstu, Andreas;Harju, Ari;Puska, Martti J.;Ab initio transport fingerprints for resonant scattering in graphene;PHYSICAL REVIEW B;86;23;235417;10.1103/PhysRevB.86.235417;DEC 12 2012;2012;We have recently shown that by using a scaling approach for randomly;distributed topological defects in graphene, reliable estimates for;transmission properties of macroscopic samples can be calculated based;even on single-defect calculations [A. Uppstu et al., Phys. Rev. B 85,;041401 (2012)]. We now extend this approach of energy-dependent;scattering cross sections to the case of adsorbates on graphene by;studying hydrogen and carbon adatoms as well as epoxide and hydroxyl;groups. We show that a qualitative understanding of resonant scattering;can be gained through density functional theory results for a;single-defect system, providing a transmission "fingerprint";characterizing each adsorbate type. This information can be used to;reliably predict the elastic mean free path for moderate defect;densities directly using ab initio methods. We present tight-binding;parameters for carbon and epoxide adsorbates, obtained to match the;density-functional theory based scattering cross sections.;Puska, Martti/E-7362-2012; Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;4;0;0;0;4;1098-0121;WOS:000312291600007;;;J;Schuster, R.;Pyon, S.;Knupfer, M.;Azuma, M.;Takano, M.;Takagi, H.;Buechner, B.;Angle-dependent spectral weight transfer and evidence of a;symmetry-broken in-plane charge response in Ca1.9Na0.1CuO2Cl2;PHYSICAL REVIEW B;86;24;245112;10.1103/PhysRevB.86.245112;DEC 12 2012;2012;We report about the energy and momentum dependent charge response in;Ca1.9Na0.1CuO2Cl2 employing electron energy-loss spectroscopy. Along the;diagonal of the Brillouin zone (BZ) we find a plasmon peak-indicating;the presence of metallic states in this momentum region-which emerges as;a consequence of substantial spectral-weight transfer from excitations;across the charge-transfer (CT) gap and is the two-particle;manifestation of the small Fermi pocket or arc observed with;photoemission in this part of the BZ. In contrast, the spectrum along;the [100] direction is almost entirely dominated by CT excitations,;reminiscent of the insulating parent compound. We argue that the;observed polarization dependent shape of the spectrum is suggestive of a;breaking of the underlying tetragonal lattice symmetry, possibly due to;fluctuating nematic order in the charge channel. In addition we find the;plasmon bandwidth to be suppressed compared to optimally doped cuprates.;DOI: 10.1103/PhysRevB.86.245112;Takagi, Hidenori/B-2935-2010; PYON, Sunseng/B-2618-2011; Azuma, Masaki/C-2945-2009;0;0;0;0;0;1098-0121;WOS:000312292400006;;;J;Swingle, Brian;Experimental signatures of three-dimensional fractional topological;insulators;PHYSICAL REVIEW B;86;24;245111;10.1103/PhysRevB.86.245111;DEC 12 2012;2012;In this paper we explore experimental signatures of fractional;topological insulators in three dimensions. These are states of matter;with a fully gapped bulk that host exotic gapless surface states and;fractionally charged quasiparticles. They are partially characterized by;a nontrivial magneto-electric response while preserving time reversal.;We describe how these phases appear in a variety of probes including;photoemmission, tunneling, and quantum oscillations. We also discuss the;effects of doping and proximate superconductivity. We argue that despite;our current theoretical inability to predict materials where such phases;will be realized, they should be relatively easy to detect;experimentally. DOI:10.1103/PhysRevB.86.245111;0;0;0;0;0;1098-0121;WOS:000312292400005;;;J;Thomas, Mark;Romito, Alessandro;Decoherence effects on weak value measurements in double quantum dots;PHYSICAL REVIEW B;86;23;235419;10.1103/PhysRevB.86.235419;DEC 12 2012;2012;We study the effect of decoherence on a weak value measurement in a;paradigm system consisting of a double quantum dot continuously measured;by a quantum point contact. Fluctuations of the parameters controlling;the dot state induce decoherence. We find that, for measurements longer;than the decoherence time, weak values are always reduced within the;range of the eigenvalues of the measured observable. For measurements at;shorter time scales, the measured weak value strongly depends on the;interplay between the decoherence dynamics of the system and the;detector backaction. In particular, depending on the postselected state;and the strength of the decoherence, a more frequent classical readout;of the detector might lead to an enhancement of weak values.;Romito, Alessandro/L-3564-2013;Romito, Alessandro/0000-0003-3082-6279;1;0;0;0;1;1098-0121;WOS:000312291600009;;;J;Witczak-Krempa, William;Sachdev, Subir;Quasinormal modes of quantum criticality;PHYSICAL REVIEW B;86;23;235115;10.1103/PhysRevB.86.235115;DEC 12 2012;2012;We study charge transport of quantum critical points described by;conformal field theories in 2 + 1 space-time dimensions. The transport;is described by an effective field theory on an asymptotically anti-de;Sitter space-time, expanded to fourth order in spatial and temporal;gradients. The presence of a horizon at nonzero temperatures implies;that this theory has quasinormal modes with complex frequencies. The;quasinormal modes determine the poles and zeros of the conductivity in;the complex frequency plane, and so fully determine its behavior on the;real frequency axis, at frequencies both smaller and larger than the;absolute temperature. We describe the role of particle-vortex or S;duality on the conductivity, specifically how it maps poles to zeros and;vice versa. These analyses motivate two sum rules obeyed by the quantum;critical conductivity: the holographic computations are the first to;satisfy both sum rules, while earlier Boltzmann-theory computations;satisfy only one of them. Finally, we compare our results with the;analytic structure of the O(N) model in the large-N limit, and other;CFTs.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;13;0;0;0;13;1098-0121;WOS:000312291600001;;;J;Zielke, Robert;Braunecker, Bernd;Loss, Daniel;Cotunneling in the v=5/2 fractional quantum Hall regime;PHYSICAL REVIEW B;86;23;235307;10.1103/PhysRevB.86.235307;DEC 12 2012;2012;We show that cotunneling in the 5/2 fractional quantum Hall regime;allows us to test the Moore-Read wave function, proposed for this;regime, and to probe the nature of the fractional charge carriers. We;calculate the cotunneling current for electrons that tunnel between two;quantum Hall edge states via a quantum dot and for quasiparticles with;fractional charges e/4 and e/2 that tunnel via an antidot. While;electron cotunneling is strongly suppressed, the quasiparticle tunneling;shows signatures characteristic of the Moore-Read state. For comparison,;we also consider cotunneling between Laughlin states, and find that;electron transport between Moore-Read states and between Laughlin states;at filling factor 1/3 have identical voltage dependences.;Loss, Daniel/A-3721-2008;Loss, Daniel/0000-0001-5176-3073;0;0;0;0;0;1098-0121;WOS:000312291600003;;;J;de Andres, P. L.;Guinea, F.;Katsnelson, M. I.;Density functional theory analysis of flexural modes, elastic constants,;and corrugations in strained graphene;PHYSICAL REVIEW B;86;24;245409;10.1103/PhysRevB.86.245409;DEC 11 2012;2012;Ab initio density functional theory has been used to analyze flexural;modes, elastic constants, and atomic corrugations on single-and bi-layer;graphene. Frequencies of flexural modes are sensitive to compressive;stress; its variation under stress can be related to the anomalous;thermal expansion via a simple model based in classical elasticity;theory [P. L. de Andres, F. Guinea, and M. I. Katsnelson, Phys. Rev. B;86, 144103 (2012)]. Under compression, flexural modes are responsible;for a long-wavelength rippling with a large amplitude and a marked;anharmonic behavior. This is compared with corrugations created by;thermal fluctuations and the adsorption of a light impurity (hydrogen).;Typical values for the later are in the sub-Angstrom regime, while;maximum corrugations associated to bending modes quickly increase up to;a few Angstroms under a compressive stress, due to the intrinsic;instability of flexural modes. DOI: 10.1103/PhysRevB.86.245409;Katsnelson, Mikhail/D-4359-2012; Guinea, Francisco/A-7122-2008; de Andres, Pedro/B-2043-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Guinea, Francisco/0000-0001-5915-5427;;8;1;0;0;8;1098-0121;WOS:000312292100004;;;J;Glaessl, M.;Axt, V. M.;Polarization dependence of phonon influences in exciton-biexciton;quantum dot systems;PHYSICAL REVIEW B;86;24;245306;10.1103/PhysRevB.86.245306;DEC 11 2012;2012;We report on a strong dependence of the phonon-induced damping of Rabi;dynamics in an optically driven exciton-biexciton quantum dot system on;the polarization of the exciting pulse. While for a fixed pulse;intensity the damping is maximal for linearly polarized excitation, it;decreases with increasing ellipticity of the polarization. This finding;is most remarkable considering that the carrier-phonon coupling is spin;independent. In addition to simulations based on a numerically exact;real-time path-integral approach, we present an analysis within a;weak-coupling theory that allows for analytical expressions for the;pertinent damping rates. We demonstrate that an efficient coupling to;the biexciton state is of central importance for the reported;polarization dependencies. Further, we discuss influences of various;system parameters and show that, for finite biexciton binding energies,;Rabi scenarios differ qualitatively from the widely studied two-level;dynamics. DOI: 10.1103/PhysRevB.86.245306;2;0;0;0;2;1098-0121;WOS:000312292100003;;;J;Ishioka, J.;Fujii, T.;Katono, K.;Ichimura, K.;Kurosawa, T.;Oda, M.;Tanda, S.;Reply to "Comment on 'Charge-parity symmetry observed through Friedel;oscillations in chiral charge-density waves' ";PHYSICAL REVIEW B;86;24;247102;10.1103/PhysRevB.86.247102;DEC 11 2012;2012;We are responding to the Comment by J. Wezel on our paper. This study;was developed from our previous work [Ishioka et al., Phys. Rev. Lett.;105, 176401 (2010)]. In the PRL paper, H-CDW was defined as a new;parameter for expressing CDW chirality for the first time. In his;Comment, he claims that H-CDW is ill defined. He also claims that the;initial phase phi of the CDW wave function is a more appropriate;parameter for expressing chiral CDW, despite our early introduction of;phi to explain the experimental data described in the PRL paper.;However, we conclude that H-CDW can distinguish the CDW chirality by its;sign. Moreover, by considering different H-CDW signs, we had succeeded;in demonstrating the difference of the spatial distributions of CDWs as;shown in Fig. 4 of the PRB paper [Phys. Rev. B 84, 245125 (2011)]. In;our Reply, we discuss the validity of H-CDW. We show that his argument;regarding the identification of the CDW with the opposite sign of q is;wrong, since the logic is inapplicable to a wave function with a nonzero;phi. We also discuss the applicability of H-CDW to two- or;three-dimensional CDWs in transition metal dichalcogenides. DOI:;10.1103/PhysRevB.86.247102;0;0;0;0;0;1098-0121;WOS:000312292100007;;;J;Kallos, Efthymios;Chremmos, Ioannis;Yannopapas, Vassilios;Resonance properties of optical all-dielectric metamaterials using;two-dimensional multipole expansion;PHYSICAL REVIEW B;86;24;245108;10.1103/PhysRevB.86.245108;DEC 11 2012;2012;We examine the electromagnetic response of metamaterial unit elements;consisting of dielectric rods embedded in a nonmagnetic background;medium. We establish a theoretical framework in which the response is;described through the electric and magnetic multipole moments that are;simultaneously generated via the polarization currents that are excited;upon the incidence of plane waves. The corresponding dipole and;quadrupole polarizabilities are then calculated as a function of the Mie;scattering coefficients, and their resonances are mapped for the case of;dielectric cylindrical rods as a function of the geometry and the;material parameters used. The results provide critical insight into the;anisotropic response of two-dimensional rod-type metamaterials and can;be used as a unified methodology in the calculation of exotic effective;electromagnetic parameters involved in phenomena such as optical;magnetism. DOI: 10.1103/PhysRevB.86.245108;5;0;0;0;5;1098-0121;WOS:000312292100001;;;J;Lim, Linda Y.;Lany, Stephan;Chang, Young Jun;Rotenberg, Eli;Zunger, Alex;Toney, Michael F.;Angle-resolved photoemission and quasiparticle calculation of ZnO: The;need for d band shift in oxide semiconductors;PHYSICAL REVIEW B;86;23;235113;10.1103/PhysRevB.86.235113;DEC 11 2012;2012;ZnO is a prototypical semiconductor with occupied d(10) bands that;interact with the anion p states and is thus challenging for electronic;structure theories. Within the context of these theories, incomplete;cancellation of the self-interaction energy results in a Zn d band that;is too high in energy, resulting in upwards repulsion of the valence;band maximum (VBM) states, and an unphysical reduction of the band gap.;Methods such as GW should significantly reduce the self-interaction;error, and in order to evaluate such calculations, we measured;high-resolution and resonant angle-resolved photoemission spectroscopy;(ARPES) and compared these to several electronic structure calculations.;We find that, in a standard GW calculation, the d bands remain too high;in energy by more than 1 eV irrespective of the Hamiltonian used for;generating the input wave functions, causing a slight underestimation of;the band gap due to the p-d repulsion. We show that a good agreement;with the ARPES data over the full valence band spectrum is obtained,;when the Zn-d band energy is shifted down by applying an on-site;potential V-d for Zn-d states during the GW calculations to match the;measured d band position. The magnitude of the GW quasiparticle energy;shift relative to the initial density functional calculation is of;importance for the prediction of charged defect formation energies,;band-offsets, and ionization potentials. DOI: 10.1103/PhysRevB.86.235113;Zunger, Alex/A-6733-2013; Lim, Ying Wen Linda/A-8608-2012; Rotenberg, Eli/B-3700-2009; Chang, Young Jun/N-3440-2014;Rotenberg, Eli/0000-0002-3979-8844; Chang, Young Jun/0000-0001-5538-0643;15;0;0;0;15;1098-0121;WOS:000312291700002;;;J;Liu, Tao;Lee, Kenneth E.;Wang, Qi Jie;Microscopic density matrix model for optical gain of terahertz quantum;cascade lasers: Many-body, nonparabolicity, and resonant tunneling;effects;PHYSICAL REVIEW B;86;23;235306;10.1103/PhysRevB.86.235306;DEC 11 2012;2012;Intersubband semiconductor-Bloch equations are investigated by;incorporating many-body Coulomb interaction, nonparabolicity, and;coherence of resonant tunneling transport in a quantitative way based on;the density matrix theory. The calculations demonstrate the importance;of these parameters on optical properties, especially the optical gain;spectrum, of terahertz (THz) quantum cascade lasers (QCLs). The results;show that the lasing frequency at gain peak calculated by the proposed;microscopic density matrix model is closer to the experimentally;measured result, compared with that calculated by the existing;macroscopic density matrix model. Specifically, both the many-body;interaction and nonparabolicity effects red-shift the gain spectrum and;reduce the gain peak. In addition, as the injection-coupling strength;increases, the gain peak value is enhanced and the spectrum is slightly;broadened, while an increase of the extraction-coupling strength reduces;the gain peak value and broadens the gain spectrum. The dependence of;optical gain of THz QCLs on device parameters such as external;electrical bias, dephasing rate, doping density, and temperature is also;systematically studied in details. This model provides a more;comprehensive picture of the optical properties of THz QCLs from a;microscopic point of view and potentially enables a more accurate and;faster prediction and calculation of the device performance, e. g., gain;spectra, current-voltage characteristics, optical output powers, and;nonlinear amplitude-phase coupling. DOI: 10.1103/PhysRevB.86.235306;Wang, Qi Jie/E-6987-2010;5;0;0;0;5;1098-0121;WOS:000312291700004;;;J;Pedersen, Jesper Goor;Gunst, Tue;Markussen, Troels;Pedersen, Thomas Garm;Graphene antidot lattice waveguides;PHYSICAL REVIEW B;86;24;245410;10.1103/PhysRevB.86.245410;DEC 11 2012;2012;We introduce graphene antidot lattice waveguides: nanostructured;graphene where a region of pristine graphene is sandwiched between;regions of graphene antidot lattices. The band gaps in the surrounding;antidot lattices enable localized states to emerge in the central;waveguide region. We model the waveguides via a position-dependent mass;term in the Dirac approximation of graphene and arrive at analytical;results for the dispersion relation and spinor eigenstates of the;localized waveguide modes. To include atomistic details we also use a;tight-binding model, which is in excellent agreement with the analytical;results. The waveguides resemble graphene nanoribbons, but without the;particular properties of ribbons that emerge due to the details of the;edge. We show that electrons can be guided through kinks without;additional resistance and that transport through the waveguides is;robust against structural disorder. DOI: 10.1103/PhysRevB.86.245410;Goor Pedersen, Jesper/C-3965-2008; Gunst, Tue/C-6575-2013; Markussen, Troels/B-7800-2012;Goor Pedersen, Jesper/0000-0002-8411-240X; Gunst,;Tue/0000-0002-3000-5940; Markussen, Troels/0000-0003-1192-4025;9;0;0;0;9;1098-0121;WOS:000312292100005;;;J;Ramos, J. G. G. S.;Barbosa, A. L. R.;Bazeia, D.;Hussein, M. S.;Lewenkopf, C. H.;Generalized correlation functions for conductance fluctuations and the;mesoscopic spin Hall effect;PHYSICAL REVIEW B;86;23;235112;10.1103/PhysRevB.86.235112;DEC 11 2012;2012;We study the spin Hall conductance fluctuations in ballistic mesoscopic;systems. We obtain universal expressions for the spin and charge current;fluctuations, cast in terms of current-current autocorrelation;functions. We show that the latter are conveniently parametrized as;deformed Lorentzian shape lines, functions of an external applied;magnetic field and the Fermi energy. We find that the charge current;fluctuations show quite unique statistical features at the;symplectic-unitary crossover regime. Our findings are based on an;evaluation of the generalized transmission coefficients correlation;functions within the stub model and are amenable to experimental test.;DOI: 10.1103/PhysRevB.86.235112;1, INCT/G-5846-2013; Informacao quantica, Inct/H-9493-2013; Lewenkopf, Caio/A-1791-2014;Lewenkopf, Caio/0000-0002-2053-2798;1;0;0;0;1;1098-0121;WOS:000312291700001;;;J;Ruth, Marcel;Meier, Cedrik;Scaling coefficient for three-dimensional grain coalescence of ZnO on;Si(111);PHYSICAL REVIEW B;86;22;224108;10.1103/PhysRevB.86.224108;DEC 11 2012;2012;Grain-rotation-induced coalescence is a well-known growth mechanism of;granular/polycrystalline systems in two dimensions. In three-dimensional;(3D) crystals there are more degrees of freedom, and influences of the;substrate play an important role. In the present work we analyze the 3D;coalescence of ZnO grains on Si(111) by thermal annealing under O-2;atmosphere. Atomic force microscopy and electron backscatter diffraction;measurements reveal a significant increase in the mean grain diameter;and a reorientation that matches the substrate orientation. This;structural reorganization leads to a substantial enhancement of the;electronic layer quality. We describe the grain growth with a diffusive;model and find a volume scaling coefficient of 1.5. This proves that the;additional degrees of freedom significantly accelerate grain-rotation;induced coalescence in three dimensions. DOI: 10.1103/PhysRevB.86.224108;Meier, Cedrik/E-4877-2011;Meier, Cedrik/0000-0002-3787-3572;4;0;0;0;4;1098-0121;WOS:000312291300001;;;J;van den Berg, T. L.;Lombardo, P.;Kuzian, R. O.;Hayn, R.;Orbital polaron in double-exchange ferromagnets;PHYSICAL REVIEW B;86;23;235114;10.1103/PhysRevB.86.235114;DEC 11 2012;2012;We investigate the spectral properties of the two-orbital Hubbard model,;including the pair hopping term, by means of the dynamical mean field;method. This Hamiltonian describes materials in which ferromagnetism is;realized by the double-exchange mechanism, as for instance manganites,;nickelates, or diluted magnetic semiconductors. The spectral function of;the unoccupied states is characterized by a specific equidistant three;peak structure. We emphasize the importance of the double hopping term;on the spectral properties. We show the existence of a ferromagnetic;phase due to electron doping near n = 1 by the double-exchange;mechanism. A quasiparticle excitation at the Fermi energy is found that;we attribute to what we will call an orbital polaron. We derive an;effective spin-pseudospin Hamiltonian for the two-orbital;double-exchange model at n = 1 filling to explain the existence and;dynamics of this quasiparticle. DOI: 10.1103/PhysRevB.86.235114;Kuzian, Roman/C-9079-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Kuzian, Roman/0000-0002-6672-7224;;1;0;0;0;1;1098-0121;WOS:000312291700003;;;J;van Wezel, Jasper;Comment on "Charge-parity symmetry observed through Friedel oscillations;in chiral charge-density waves";PHYSICAL REVIEW B;86;24;247101;10.1103/PhysRevB.86.247101;DEC 11 2012;2012;In their publication [Phys. Rev. B 84, 245125 (2011)], Ishioka et al.;discuss the recently discovered chiral charge-density wave state in;1T-TiSe2 in terms of a parameter H-CDW, whose sign is suggested to;correspond to the handedness of the chiral order. Here, we point out;that H-CDW, as defined by Ishioka et al., cannot be used to characterize;chirality in that way. An alternative measure of chirality for the;specific case of 1T-TiSe2 is suggested. DOI: 10.1103/PhysRevB.86.247101;2;0;0;0;2;1098-0121;WOS:000312292100006;;;J;Wan, Li;Iacovella, Christopher R.;Nguyen, Trung D.;Docherty, Hugh;Cummings, Peter T.;Confined fluid and the fluid-solid transition: Evidence from absolute;free energy calculations;PHYSICAL REVIEW B;86;21;214105;10.1103/PhysRevB.86.214105;DEC 11 2012;2012;The debate on whether an organic fluid nanoconfined by mica sheets will;undergo a fluid-to-solid transition as the fluid film thickness is;reduced below a critical value has lasted over two decades. Extensive;experimental and simulation investigations have thus far left this;question only partially addressed. In this work, we adapt and apply;absolute free energy calculations to analyze the phase behavior of a;simple model for nanoconfined fluids, consisting of spherical;Lennard-Jones (LJ) molecules confined between LJ solid walls, which we;use in combination with grand-canonical molecular dynamics simulations.;Absolute Helmholtz free energy calculations of the simulated;nanoconfined systems directly support the existence of order-disorder;phase transition as a function of decreasing wall separation, providing;results in close agreement with previous experiments and detailed;atomistic simulations. DOI: 10.1103/PhysRevB.86.214105;Iacovella, Christopher/D-2050-2011; Cummings, Peter/B-8762-2013;Cummings, Peter/0000-0002-9766-2216;5;0;0;0;5;1098-0121;WOS:000312290000001;;;J;Zaletel, Michael P.;Mong, Roger S. K.;Exact matrix product states for quantum Hall wave functions;PHYSICAL REVIEW B;86;24;245305;10.1103/PhysRevB.86.245305;DEC 11 2012;2012;We show that the model wave functions used to describe the fractional;quantum Hall effect have exact representations as matrix product states;(MPS). These MPS can be implemented numerically in the orbital basis of;both finite and infinite cylinders, which provides an efficient way of;calculating arbitrary observables. We extend this approach to the;charged excitations and numerically compute their Berry phases. Finally,;we present an algorithm for numerically computing the real-space;entanglement spectrum starting from an arbitrary orbital basis MPS,;which allows us to study the scaling properties of the real-space;entanglement spectra on infinite cylinders. The real-space entanglement;spectrum obeys a scaling form dictated by the edge conformal field;theory, allowing us to accurately extract the two entanglement;velocities of the Moore-Read state. In contrast, the orbital space;spectrum is observed to scale according to a complex set of power laws;that rule out a similar collapse. DOI: 10.1103/PhysRevB.86.245305;16;0;0;0;16;1098-0121;WOS:000312292100002;;;J;Berdiyorov, G. R.;Chao, X. H.;Peeters, F. M.;Wang, H. B.;Moshchalkov, V. V.;Zhu, B. Y.;Magnetoresistance oscillations in superconducting strips: A;Ginzburg-Landau study;PHYSICAL REVIEW B;86;22;224504;10.1103/PhysRevB.86.224504;DEC 10 2012;2012;Within the time-dependent Ginzburg-Landau theory we study the dynamic;properties of current-carrying superconducting strips in the presence of;a perpendicular magnetic field. We found pronounced voltage peaks as a;function of the magnetic field, the amplitude of which depends both on;sample dimensions and external parameters. These voltage oscillations;are a consequence of moving vortices, which undergo alternating static;and dynamic phases. At higher fields or for high currents, the;continuous motion of vortices is responsible for the monotonic;background on which the resistance oscillations due to the entry of;additional vortices are superimposed. Mechanisms for such;vortex-assisted resistance oscillations are discussed. Qualitative;changes in the magnetoresistance curves are observed in the presence of;random defects, which affect the dynamics of vortices in the system.;Zhu, Bei Yi/C-1506-2011; Moshchalkov, Victor/I-7232-2013; Wang, HB/M-7461-2013;2;0;0;0;2;1098-0121;WOS:000312064300004;;;J;Bogan, A.;Hatke, A. T.;Studenikin, S. A.;Sachrajda, A.;Zudov, M. A.;Pfeiffer, L. N.;West, K. W.;Microwave-induced resistance oscillations in tilted magnetic fields;PHYSICAL REVIEW B;86;23;235305;10.1103/PhysRevB.86.235305;DEC 10 2012;2012;We have studied the effect of an in-plane magnetic field on;microwave-induced resistance oscillations in a high mobility;two-dimensional electron system. We have found that the oscillation;amplitude decays exponentially with an in-plane component of the;magnetic field B-parallel to. While these findings cannot be accounted;for by existing theories, our analysis suggests that the decay can be;explained by a B-parallel to-induced correction to the quantum;scattering rate, which is quadratic in B-parallel to.;Zudov, Michael/A-3013-2008;7;1;0;0;7;1098-0121;WOS:000312064700005;;;J;Dahl, J.;Kuzmin, M.;Adell, J.;Balasubramanian, T.;Laukkanen, P.;Formation of polar InN with surface Fermi level near the valence band;maximum by means of ammonia nitridation;PHYSICAL REVIEW B;86;24;245304;10.1103/PhysRevB.86.245304;DEC 10 2012;2012;Development of InN films for devices is hindered due to metallic In;clusters, formed readily during growth, and unintentional n-type;conductivity of the nominally undoped films, including surface;electron-accumulation layers via the Fermi level pinning into the;conduction band. Plasma nitridation eliminates even large In clusters;from the surface by changing them to two-dimensional InN [Yamaguchi and;Nanishi, Appl. Phys. Expr. 2, 051001 (2009)]. Here we utilized a similar;approach, that is, nitridation of In-covered surfaces with ammonia (NH3);to grow thin, up to 25 nm thick polar InN films on Si(111) and GaN(0001);substrates. By means of scanning tunneling microscopy and spectroscopy,;as well as photoelectron spectroscopy, we show that this simple NH3;nitridation provides the hitherto not reported formation of polar;InN(000-1) films with the surface Fermi level close to the valence band;maximum, as recent calculations [Belabbes et al., Phys. Rev. B 84,;205304 (2011)] predict. DOI: 10.1103/PhysRevB.86.245304;1;0;0;0;1;1098-0121;WOS:000312065400006;;;J;Ghosh, Sankha;English, Niall J.;Ab initio study on optoelectronic properties of interstitially versus;substitutionally doped titania;PHYSICAL REVIEW B;86;23;235203;10.1103/PhysRevB.86.235203;DEC 10 2012;2012;Density functional theory calculations were performed for Cr, N, and C;monodoping in both rutile and anatase phases of crystalline titania. The;formation and binding energies, electronic structure, and optical;properties were determined. It was found that although C has a;predominant preference for occupying a lattice O-site, N has higher;preference for interstitial occupancy in the vicinity of an O atom in;anatase, whereas both prefer to maintain interstitial occupancy in;rutile, albeit with both N and C exhibiting a relatively higher;preference for anatase over rutile. Furthermore, Cr is more;energetically stable in the rutile phase relative to anatase for;substitutional doping, albeit with comparable formation energies for;both interstitial and substitutional doping. Interstitial C-impurities;were observed to occupy the oxygen lattice sites in anatase, but not in;rutile. In terms of N-doping, it was found that interstitial doping;exhibits higher visible light photoactivity than substitutional doping.;1;0;0;0;1;1098-0121;WOS:000312064700003;;;J;Howie, Ross T.;Scheler, Thomas;Guillaume, Christophe L.;Gregoryanz, Eugene;Proton tunneling in phase IV of hydrogen and deuterium;PHYSICAL REVIEW B;86;21;214104;10.1103/PhysRevB.86.214104;DEC 10 2012;2012;Using in situ optical spectroscopy we have investigated the temperature;stability of the mixed atomic and molecular phases IV of dense deuterium;and hydrogen. Through a series of low-temperature experiments at high;pressures, we observe phase III-to-IV transformation, imposing;constraints on the P-T phase diagrams. The spectral features of the;phase IV-III transition and differences in appearances of the isotopes;Raman spectra strongly indicate the presence of proton tunneling in;phase IV. No differences between isotopes were observed in absorption;spectroscopic studies, resulting in identical values for the band gap.;The extrapolation of the combined band gap yields 375 GPa as the minimum;transition pressure to the metallic state of hydrogen (deuterium). The;minute changes in optical spectra above 275 GPa might suggest the;presence of a new solid modification of hydrogen (deuterium), closely;related structurally to phase IV. DOI: 10.1103/PhysRevB. 86.214104;15;1;0;0;15;1098-0121;WOS:000312063700001;;;J;Hrahsheh, Fawaz;Hoyos, Jose A.;Vojta, Thomas;Rounding of a first-order quantum phase transition to a strong-coupling;critical point;PHYSICAL REVIEW B;86;21;214204;10.1103/PhysRevB.86.214204;DEC 10 2012;2012;We investigate the effects of quenched disorder on first-order quantum;phase transitions on the example of the N-color quantum Ashkin-Teller;model. By means of a strong-disorder renormalization group, we;demonstrate that quenched disorder rounds the first-order quantum phase;transition to a continuous one for both weak and strong coupling between;the colors. In the strong-coupling case, we find a distinct type of;infinite-randomness critical point characterized by additional internal;degrees of freedom. We investigate its critical properties in detail and;find stronger thermodynamic singularities than in the random transverse;field Ising chain. We also discuss the implications for higher spatial;dimensions as well as unusual aspects of our renormalization-group;scheme. DOI: 10.1103/PhysRevB.86.214204;Hoyos, Jose/F-2742-2012;2;0;0;0;2;1098-0121;WOS:000312063700002;;;J;Huevonen, D.;Zhao, S.;Ehlers, G.;Mansson, M.;Gvasaliya, S. N.;Zheludev, A.;Excitations in a quantum spin liquid with random bonds;PHYSICAL REVIEW B;86;21;214408;10.1103/PhysRevB.86.214408;DEC 10 2012;2012;We present the results of an inelastic neutron-scattering study on two;bond disordered quasi-two-dimensional quantum magnets;(C4H12N2)Cu-2(Cl1-xBrx)(6) with x = 0.035 and 0.075. We observe an;increase of spin gap, a reduction of magnon bandwidth, and a decrease of;magnon lifetimes compared to the x = 0 sample. Additional magnon damping;is observed at higher energies away from the zone center, which is found;to follow the density of single-particle states. DOI:;10.1103/PhysRevB.86.214408;Instrument, CNCS/B-4599-2012; Ehlers, Georg/B-5412-2008; Huvonen, Dan/A-6664-2008; Mansson, Martin/C-1134-2014;8;0;0;0;8;1098-0121;WOS:000312063700005;;;J;Hwang, Kyusung;Park, Kwon;Kim, Yong Baek;Influence of Dzyaloshinskii-Moriya interactions on magnetic structure of;a spin-1/2 deformed kagome lattice antiferromagnet;PHYSICAL REVIEW B;86;21;214407;10.1103/PhysRevB.86.214407;DEC 10 2012;2012;Motivated by the recent neutron-scattering experiment on Rb2Cu3SnF12;[Nature Phys. 6, 865 (2010)], we investigate the effect of;Dzyaloshinskii-Moriya interactions in a theoretical model for the;magnetic structure of this material. Considering the valence bond solid;ground state, which has a 12-site unit cell, we develop the bond;operator mean-field theory. It is shown that the Dzyaloshinskii-Moriya;interactions significantly modify the triplon dispersions around the;Gamma point and cause a shift of the spin-gap (the minimum triplon gap);position from the K to Gamma point in the first Brillouin zone. The spin;gap is also evaluated in exact diagonalization studies on a 24-site;cluster. We discuss a magnetic transition induced by the;Dzyaloshinskii-Moriya interactions in the bond operator framework.;Moreover, the magnetization process under external magnetic fields is;studied within the exact diagonalization approach. We find that the;results of both approaches are consistent with the experimental;findings. DOI: 10.1103/PhysRevB.86.214407;3;0;0;0;3;1098-0121;WOS:000312063700004;;;J;Ignacio, M.;Pierre-Louis, O.;Impalement dynamics and Brownian motion of solid islands on nanopillars;PHYSICAL REVIEW B;86;23;235410;10.1103/PhysRevB.86.235410;DEC 10 2012;2012;We study the dynamics of solid islands deposited on nanopillars using;kinetic Monte Carlo simulations. The islands are initially placed on the;top of the pillars, in the so-called Cassie-Baxter state. For high;pillars, the dynamics is divided into two phases. The first phase;corresponds to the deterministic and irreversible impalement of the;island. The dynamics of this phase is governed by surface diffusion.;Once the island has collapsed, a second phase is observed where the;island exhibits Brownian motion along the pillars, characterized by a;diffusion constant D-i and a kinetic coefficient K-i accounting for the;interaction of the island with the top of the pillars. The random walk;stops when the island reaches the bottom of the substrate, where it;sticks irreversibly. When the island wettability is small, the island;diffusion constant D-i is controlled by adatom diffusion, and scales as;the inverse of the number of atoms in the island. In contrast, for large;wettabilities, we observe that D-i oscillates as the island size is;increased. The minimum of the oscillations corresponds to;nucleation-limited dynamics, where D-i is independent of the island;size. We also determine the time for partial irreversible collapse on;shorter pillars, leading to the so-called Wenzel state. Finally, we;discuss the orders of magnitude of the typical duration of these;processes.;2;0;0;0;2;1098-0121;WOS:000312064700007;;;J;Jarlborg, T.;Barbiellini, B.;Markiewicz, R. S.;Bansil, A.;Different doping from apical and planar oxygen vacancies in;Ba2CuO4-delta and La2CuO4-delta: First-principles band structure;calculations;PHYSICAL REVIEW B;86;23;235111;10.1103/PhysRevB.86.235111;DEC 10 2012;2012;First-principles band structure calculations for large supercells of;Ba2CuO4-delta and La2CuO4-delta with different distributions and;concentrations of oxygen vacancies show that the effective doping on;copper sites strongly depends on where the vacancy is located. A vacancy;within the Cu layer produces a weak doping effect while a vacancy;located at an apical oxygen site acts as a stronger electron dopant on;the copper layers and gradually brings the electronic structure close to;that of La2-xSrxCuO4. These effects are robust and only depend;marginally on lattice distortions. Our results show that deoxygenation;can reduce the effect of traditional La/Sr or La/Nd substitutions. Our;study clearly identifies location of the dopant in the crystal structure;as an important factor in doping of the cuprate planes.;6;0;0;0;6;1098-0121;WOS:000312064700002;;;J;Kunimori, K.;Nakamura, M.;Nohara, H.;Tanida, H.;Sera, M.;Nishioka, T.;Matsumura, M.;Unusual magnetic order in CeT2Al10 (T = Ru, Os) in comparison with;localized NdFe2Al10;PHYSICAL REVIEW B;86;24;245106;10.1103/PhysRevB.86.245106;DEC 10 2012;2012;We have investigated the magnetic properties in the well localized;compound NdFe2Al10 and the Kondo semiconductor CeT2Al10 (T = Ru, Os) to;clarify the origin of the unusual magnetic order in CeT2Al10. In;NdFe2Al10, the experimental results of the magnetic properties could be;reproduced very well by the mean-field calculation for the;two-sublattice model. In CeT2Al10 we could reproduce the anisotropic;magnetic susceptibility in the paramagnetic region above 60-100 K very;well by the mean-field calculation for the two-sublattice model;introducing an anisotropic exchange interaction and the recently;determined crystalline electric field (CEF) level scheme from Strigari;et al. [Phys. Rev. B 86, 081105 (2012)]. However, in the;antiferromagnetic (AFM) ordered state, we could not reproduce the;experimental results at all in the framework of the mean-field;calculation for the two-sublattice model. We propose that although the;magnetic properties in the paramagnetic region above 60-100 K could be;understood well by a localized picture, the ordered state could not, and;that the c-f hybridization, especially along the a axis, is associated;with the unusual magnetic order in CeT2Al10. DOI:;10.1103/PhysRevB.86.245106;Tanida, Hiroshi/E-1878-2013;14;0;0;0;14;1098-0121;WOS:000312065400003;;;J;Lee, Jin Bae;Hong, Won G.;Kim, Hae Jin;Jaglicic, Z.;Jazbec, S.;Wencka, M.;Jelen, A.;Dolinsek, J.;Canted antiferromagnetism on a nanodimensional spherical surface;geometry: The case of MnCO3 small hollow nanospheres;PHYSICAL REVIEW B;86;22;224407;10.1103/PhysRevB.86.224407;DEC 10 2012;2012;Canted antiferromagnetism on a nanodimensional spherical surface;geometry was investigated on manganese carbonate MnCO3 small hollow;nanospheres of mean diameter 7.0 +/- 0.3 nm and shell thickness of 0.7;nm, by performing magnetic measurements and specific heat study, in;comparison to the bulk form of the same material. Contrary to the;expectation that small magnetic nanoparticles become superparamagnetic,;the phase transition to the canted antiferromagnetic (AFM) state in the;MnCO3 hollow nanospheres is preserved and retains, at a qualitative;level, all the features of the canted AFM state of the bulk material. At;a quantitative level, some significant differences between the hollow;nanospheres and the bulk were observed, which can all be explained by;the weakened interspin interactions in the hollow nanospheres due to;reduced atomic coordination by the neighboring atoms. This makes the;canted AFM structure of the hollow nanospheres more soft and fragile;with respect to external forces like the magnetic field, as compared to;the rigid and robust structure of the bulk material.;1;0;0;0;1;1098-0121;WOS:000312064300002;;;J;Levkivskyi, Ivan P.;Froehlich, Juerg;Sukhorukov, Eugene V.;Theory of fractional quantum Hall interferometers;PHYSICAL REVIEW B;86;24;245105;10.1103/PhysRevB.86.245105;DEC 10 2012;2012;Interference of fractionally charged quasiparticles is expected to lead;to Aharonov-Bohm oscillations with periods larger than the flux quantum.;However, according to the Byers-Yang theorem, observables of an;electronic system are invariant under an adiabatic insertion of a;quantum of singular flux. We resolve this seeming paradox by considering;a microscopic model of electronic interferometers made from a quantum;Hall liquid at filling factor 1/m with the shape of a Corbino disk. In;such interferometers, the quantum Hall edge states are utilized in place;of optical beams, the quantum point contacts play the role of beam;splitters connecting different edge channels, and Ohmic contacts;represent a source and drain of quasiparticle currents. Depending on the;position of Ohmic contacts, one distinguishes interferometers of;Fabry-Perot (FP) and Mach-Zehnder (MZ) type. An approximate ground state;of such interferometers is described by a Laughlin-type wave function,;and low-energy excitations are incompressible deformations of this;state. We construct a low-energy effective theory by restricting the;microscopic Hamiltonian of electrons to the space of incompressible;deformations and show that the theory of the quantum Hall edge so;obtained is a generalization of a chiral conformal field theory. In our;theory, a quasiparticle tunneling operator is found to be a;single-valued function of tunneling point coordinates, and its phase;depends on the topology determined by the positions of Ohmic contacts.;We describe strong coupling of the edge states to Ohmic contacts and the;resulting quasiparticle current through the interferometer with the help;of a master equation. We find that the coherent contribution to the;average quasiparticle current through MZ interferometers does not vanish;after summation over quasiparticle degrees of freedom. However, it;acquires oscillations with the electronic period, in agreement with the;Byers-Yang theorem. Importantly, our theory does not rely on any ad hoc;constructions, such as Klein factors, etc. When the magnetic flux;through an FP interferometer is varied with a modulation gate, current;oscillations have the quasiparticle periodicity, thus allowing for;spectroscopy of quantum Hall edge states. DOI:;10.1103/PhysRevB.86.245105;2;0;0;0;2;1098-0121;WOS:000312065400002;;;J;Li, Chun-Mei;Luo, Hu-Bin;Hu, Qing-Miao;Yang, Rui;Johansson, Borje;Vitos, Levente;Role of magnetic and atomic ordering in the martensitic transformation;of Ni-Mn-In from a first-principles study;PHYSICAL REVIEW B;86;21;214205;10.1103/PhysRevB.86.214205;DEC 10 2012;2012;The composition-dependent lattice parameters, crystal structure, elastic;properties, magnetic moment, and electronic structure of Ni2Mn1+xIn1-x;(0 <= x <= 0.6) are studied by using first-principles calculations. It;is shown that the martensitic phase transition (MPT) from cubic L2(1) to;tetragonal L1(0) accompanies theMn(Mn)-Mn-In ferromagnetic (FM) to;antiferromagnetic (AFM) transition, at around the critical composition x;= 0.32, in agreement with the experimental measurement. The Mn-In atomic;disorder leads to decreasing stability of the martensite relative to the;austenite, which depresses the MPT. The shear elastic constant C' of the;parent phase first decreases slightly with increasing x and then remains;almost unchanged above x = 0.32, indicating C' alone cannot account for;the increase of the MPT temperature with x. The total magnetic moments;for the L2(1) phase are in good agreement with those determined by;experiments, whereas for the L1(0) phase they are slightly larger than;the experimental data due to the possibleMn-In atomic disorder in the;sample. The calculated density of states demonstrate that the covalent;bonding between the minority spin states of Ni and In plays an important;role in both the magnetic and structural stability. DOI:;10.1103/PhysRevB.86.214205;Hu, Qing-Miao/D-3345-2014;5;0;0;0;5;1098-0121;WOS:000312063700003;;;J;Liu, Bin;Seko, Atsuto;Tanaka, Isao;Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary;system via first-principles calculations;PHYSICAL REVIEW B;86;24;245202;10.1103/PhysRevB.86.245202;DEC 10 2012;2012;Using the cluster analysis of the structure population (CASP) method,;error of cluster expansion (CE) can be controlled. Combining the CASP-CE;with a systematic set of first-principles total energies, a model;wide-gap pseudobinary system with simple crystal structures MgO-ZnO is;revisited. Ground-state structures are exhaustively searched for both;rocksalt and wurtzite structures. A few structures as yet unreported are;found. The vibrational contribution to the Gibbs free-energy is;evaluated by first-principles phonon calculations within the;quasiharmonic approximation. Monte Carlo simulations are then made to;compute grand potentials of two structures using the thermodynamic;integration. DOI: 10.1103/PhysRevB.86.245202;Tanaka, Isao/B-5941-2009; Liu, Bin/N-9955-2014;1;1;0;0;1;1098-0121;WOS:000312065400005;;;J;Liu, Pan;Santana, Juan A. Colon;Dai, Qilin;Wang, Xianjie;Dowben, Peter A.;Tang, Jinke;Sign of the superexchange coupling between next-nearest neighbors in EuO;PHYSICAL REVIEW B;86;22;224408;10.1103/PhysRevB.86.224408;DEC 10 2012;2012;The sign of the superexchange coupling J(2) between next-nearest;neighboring Eu2+ magnetic moments in EuO is a matter subject to debate.;We have obtained evidence that this coupling is of antiferromagnetic;nature (J(2) < 0). EuO thin films grown at different temperatures;suggest that lattice expansion results in enhancement of T-C as clearly;observed in stoichiometric EuO films grown on CaF2 substrates. Resonant;photoemission spectroscopy provides compelling evidence of strong;hybridization between O 2p and Eu 5d6s6p weighted bands, suggesting that;strong superexchange may be mediated by oxygen, thus consistent with the;observed antiferromagnetic behavior between the next-nearest neighboring;Eu atoms via nearest neighbor oxygen in EuO.;Dai, Qilin/K-1437-2013;2;0;0;0;2;1098-0121;WOS:000312064300003;;;J;Luisier, Mathieu;Atomistic modeling of anharmonic phonon-phonon scattering in nanowires;PHYSICAL REVIEW B;86;24;245407;10.1103/PhysRevB.86.245407;DEC 10 2012;2012;Phonon transport is simulated in ultrascaled nanowires in the presence;of anharmonic phonon-phonon scattering. A modified valence-force-field;model containing four types of bond deformation is employed to describe;the phonon band structure. The inclusion of five additional bond;deformation potentials allows us to account for anharmonic effects.;Phonon-phonon interactions are introduced through inelastic scattering;self-energies solved in the self-consistent Born approximation in the;nonequilibrium Green's function formalism. After calibrating the model;with experimental data, the thermal current, resistance, and;conductivity of < 100 >-, < 110 >-, and < 111 >-oriented Si nanowires;with different lengths and temperatures are investigated in the presence;of anharmonic phonon-phonon scattering and compared to their ballistic;limit. It is found that all the simulated thermal currents exhibit a;peak at temperatures around 200 K if phonon scattering is turned on;while they monotonically increase when this effect is neglected.;Finally, phonon transport through Si-Ge-Si nanowires is considered. DOI:;10.1103/PhysRevB.86.245407;12;1;0;0;12;1098-0121;WOS:000312065400007;;;J;Nemirovskii, Sergey K.;Fluctuations of the vortex line density in turbulent flows of quantum;fluids;PHYSICAL REVIEW B;86;22;224505;10.1103/PhysRevB.86.224505;DEC 10 2012;2012;We present an analytical study of fluctuations of the vortex line;density (VLD) in turbulent flows of;quantum fluids. Two cases are considered. The first is the;counterflowing (Vinen) turbulence, where the vortex lines are;disordered, and the evolution of quantity L(t) obeys the Vinen equation.;The second case is the fluctuations of the VLD in a single vortex;bundle, which develops inside the domain of the concentrated;normal-fluid vorticity. The dynamics of the vortex bundle is described;by the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) equations. The latter;case is of special interest, because the set of the quantum vortex;bundles is believed to mimic classical hydrodynamic turbulence. In;steady states the VLD is related to the normal velocity as L = (rho;gamma/rho(s))(2)upsilon(2)(n) for the Vinen case. In the vortex bundle;case, which appears inside the domain of a concentrated vorticity of;normal fluid, the stationary quantity L can be found from the matching;of velocities and is described by L = vertical bar del x v(n)vertical;bar/kappa. In nonstationary situations, and particularly in the;fluctuating turbulent flow, there is a retardation between the;instantaneous value of the normal velocity and the quantity L. This;retardation tends to decrease in accordance with the inner dynamics,;which has a relaxation character. In both cases, the relaxation dynamics;of the VLD is related to fluctuations of the relative velocity. However,;for the Vinen case the rate of temporal change for L(t) is directly;dependent upon delta v(ns), whereas for HVBK dynamics it depends on del;x delta v(ns). Therefore, for the disordered case the spectrum coincides with the spectrum omega(-5/3). In the;case of the bundle arrangement, the spectrum of the VLD varies (at;different temperatures) from omega(1/3) to omega(-5/3) dependencies.;This conclusion may serve as a basis for the experimental determination;of what kind of turbulence is implemented in different types of;generation.;0;0;0;0;0;1098-0121;WOS:000312064300005;;;J;Peelaers, H.;Van de Walle, C. G.;Effects of strain on band structure and effective masses in MoS2;PHYSICAL REVIEW B;86;24;241401;10.1103/PhysRevB.86.241401;DEC 10 2012;2012;We use hybrid density functional theory to explore the band structure;and effective masses of MoS2, and the effects of strain on the;electronic properties. Strain allows engineering the magnitude as well;as the nature (direct versus indirect) of the band gap. Deformation;potentials that quantify these changes are reported. The calculations;also allow us to investigate the transition in band structure from bulk;to monolayer, and the nature and degeneracy of conduction-band valleys.;Investigations of strain effects on effective masses reveal that small;uniaxial stresses can lead to large changes in the hole effective mass.;DOI: 10.1103/PhysRevB.86.241401;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;56;3;0;0;56;1098-0121;WOS:000312065400001;;;J;Phien, Ho N.;Vidal, Guifre;McCulloch, Ian P.;Infinite boundary conditions for matrix product state calculations;PHYSICAL REVIEW B;86;24;245107;10.1103/PhysRevB.86.245107;DEC 10 2012;2012;We propose a formalism to study dynamical properties of a quantum;many-body system in the thermodynamic limit by studying a finite system;with "infinite boundary conditions" where both finite-size effects and;boundary effects have been eliminated. For one-dimensional systems,;infinite boundary conditions are obtained by attaching two boundary;sites to a finite system, where each of these two sites effectively;represents a semi-infinite extension of the system. One can then use;standard finite-size matrix product state techniques to study a region;of the system while avoiding many of the complications normally;associated with finite-size calculations such as boundary Friedel;oscillations. We illustrate the technique with an example of time;evolution of a local perturbation applied to an infinite;(translationally invariant) ground state, and use this to calculate the;spectral function of the S = 1 Heisenberg spin chain. This approach is;more efficient and more accurate than conventional simulations based on;finite-size matrix product state and density-matrix;renormalization-group approaches. DOI: 10.1103/PhysRevB.86.245107;McCulloch, Ian/A-6037-2011;McCulloch, Ian/0000-0002-8983-6327;6;0;0;0;6;1098-0121;WOS:000312065400004;;;J;Polyakov, O. P.;Corbetta, M.;Stepanyuk, O. V.;Oka, H.;Saletsky, A. M.;Sander, D.;Stepanyuk, V. S.;Kirschner, J.;Spin-dependent Smoluchowski effect;PHYSICAL REVIEW B;86;23;235409;10.1103/PhysRevB.86.235409;DEC 10 2012;2012;Electron charge near atomically sharp corrugations at the surfaces of a;solid tends to spill out and smoothen the abrupt variation of the;positions of the positively charged atomic nuclei. The reason is that;electrons are much less localized than nuclei. This has been discussed;already some 70 years ago by Smoluchowski [R. Smoluchowski, Phys. Rev.;60, 661 (1941)], and the corresponding effect of charge redistribution;near surface corrugations bears his name. The Smoluchowski effect;focuses on the total electron charge density. It neglects that;electrons-in addition to charge-also carry a spin. We discuss;spin-dependent electron spill out and demonstrate in a combined;theoretical and experimental work that compelling consequences for;spin-polarization and spin-dependent transport arise at the edges of;magnetic nanostructures due to the spin-dependent Smoluchowski effect.;We find a variation of the tunnel magnetoresistance ratio of more than;20% on a length scale of a few atomic diameters.;3;0;0;0;3;1098-0121;WOS:000312064700006;;;J;Rajeswaran, B.;Khomskii, D. I.;Zvezdin, A. K.;Rao, C. N. R.;Sundaresan, A.;Field-induced polar order at the Neel temperature of chromium in;rare-earth orthochromites: Interplay of rare-earth and Cr magnetism;PHYSICAL REVIEW B;86;21;214409;10.1103/PhysRevB.86.214409;DEC 10 2012;2012;We report field-induced switchable polarization (P similar to 0.2-0.8 mu;C/cm(2)) below the Neel temperature of chromium (T-N(Cr)) in weakly;ferromagnetic rare-earth orthochromites, RCrO3 (R = rare earth) but only;when the rare-earth ion is magnetic. Intriguingly, the polarization in;ErCrO3 (T-C = 133 K) disappears at a spin-reorientation (Morin);transition (T-SR similar to 22 K) below which the weak ferromagnetism;associated with the Cr sublattice also disappears, demonstrating the;crucial role of weak ferromagnetism in inducing the polar order.;Further, the polarization (P) is strongly influenced by an applied;magnetic field, indicating a strong magnetoelectric effect. We suggest;that the polar order occurs in RCrO3, due to the combined effect of the;poling field that breaks the symmetry and the exchange field on the R;ion from the Cr sublattice that stabilizes the polar state. We propose;that a similar mechanism could work in the isostructural rare-earth;orthoferrites RFeO3 as well. DOI: 10.1103/PhysRevB.86.214409;Athinarayanan, Sundaresan/B-2176-2010; Zvezdin, Anatoly/K-2072-2013;24;1;0;0;24;1098-0121;WOS:000312063700006;;;J;Rhim, Jun-Won;Park, Kwon;Self-similar occurrence of massless Dirac particles in graphene under a;magnetic field;PHYSICAL REVIEW B;86;23;235411;10.1103/PhysRevB.86.235411;DEC 10 2012;2012;Intricate interplay between the periodicity of the lattice structure and;that of the cyclotron motion gives rise to a well-known self-similar;fractal structure of the energy eigenvalue, known as the Hofstadter;butterfly, for an electron moving in lattice under magnetic field.;Connected with the n = 0 Landau level, the central band of the;Hofstadter butterfly is especially interesting in the honeycomb lattice.;While the entire Hofstadter butterfly can be in principle obtained by;solving Harper's equations numerically, the weak-field limit, most;relevant for experiment, is intractable owing to the fact that the size;of the Hamiltonian matrix, which needs to be diagonalized, diverges. In;this paper, we develop an effective Hamiltonian method that can be used;to provide an accurate analytic description of the central Hofstadter;band in the weak-field regime. One of the most important discoveries;obtained in this work is that massless Dirac particles always exist;inside the central Hofstadter band no matter how small the magnetic flux;may become. In other words, with its bandwidth broadened by the lattice;effect, the n = 0 Landau level contains massless Dirac particles within;itself. In fact, by carefully analyzing the self-similar recursive;pattern of the central Hofstadter band, we conclude that massless Dirac;particles should occur under arbitrary magnetic field. As a corollary,;the central Hofstadter band also contains a self-similar structure of;recursive Landau levels associated with such massless Dirac particles.;To assess the experimental feasibility of observing massless Dirac;particles inside the central Hofstadter band, we compute the width of;the central Hofstadter band as a function of magnetic field in the;weak-field regime.;5;0;0;0;5;1098-0121;WOS:000312064700008;;;J;Robinson, Zachary R.;Tyagi, Parul;Mowll, Tyler R.;Ventrice, Carl A., Jr.;Hannon, James B.;Argon-assisted growth of epitaxial graphene on Cu(111);PHYSICAL REVIEW B;86;23;235413;10.1103/PhysRevB.86.235413;DEC 10 2012;2012;The growth of graphene by catalytic decomposition of ethylene on Cu(111);in an ultrahigh vacuum system was investigated with low-energy electron;diffraction, low-energy electron microscopy, and atomic force;microscopy. Attempts to form a graphene overlayer using ethylene at;pressures as high as 10 mTorr and substrate temperatures as high as 900;degrees C resulted in almost no graphene growth. By using an argon;overpressure, the growth of epitaxial graphene on Cu(111) was achieved.;The suppression of graphene growth without the use of an argon;overpressure is attributed to Cu sublimation at elevated temperatures.;During the initial stages of growth, a random distribution of rounded;graphene islands is observed. The predominant rotational orientation of;the islands is within +/- 1 degrees of the Cu(111) substrate lattice.;Robinson, Zachary/B-5128-2013;11;1;0;0;11;1098-0121;WOS:000312064700010;;;J;Sheps, Tatyana;Brocious, Jordan;Corso, Brad L.;Guel, O. Tolga;Whitmore, Desire;Durkaya, Goeksel;Potma, Eric O.;Collins, Philip G.;Four-wave mixing microscopy with electronic contrast of individual;carbon nanotubes;PHYSICAL REVIEW B;86;23;235412;10.1103/PhysRevB.86.235412;DEC 10 2012;2012;We review an extensive study of the factors that influence the intensity;of coherent, nonlinear four-wave mixing (FWM) in carbon nanotubes, with;particular attention to the variability inherent to single-walled carbon;nanotubes (SWNTs). Through a combination of spatial imaging and;spectroscopy applied to hundreds of individual SWNTs in optoelectronic;devices, the FWM response is shown to vary systematically with;free-carrier concentration. This dependence is manifested both in the;intrinsic SWNT band structure and also by extrinsic and environmental;effects. We demonstrate the sensitivity of the SWNT FWM signal by;investigating SWNTs transferred from one substrate to another, before;and after the introduction of chemical damage, and with chemical and;electrostatic doping. The results demonstrate FWM as a sensitive;technique for interrogating SWNT optoelectronic properties.;3;0;0;0;3;1098-0121;WOS:000312064700009;;;J;Tian, Zhiting;Esfarjani, Keivan;Chen, Gang;Enhancing phonon transmission across a Si/Ge interface by atomic;roughness: First-principles study with the Green's function method;PHYSICAL REVIEW B;86;23;235304;10.1103/PhysRevB.86.235304;DEC 10 2012;2012;Knowledge on phonon transmittance as a function of phonon frequency and;incidence angle at interfaces is vital for multiscale modeling of heat;transport in nanostructured materials. Although thermal conductivity;reduction in nanostructured materials can usually be described by phonon;scattering due to interface roughness, we show how a Green's function;method in conjunction with the Landauer formalism suggests that;interface roughness induced by atomic mixing can increase phonon;transmission and interfacial thermal conductance. This is an attempt to;incorporate first-principles force constants derived from ab initio;density-functional theory (DFT) into Green's function calculation for;infinitely large three-dimensional crystal structure. We also;demonstrate the importance of accurate force constants by comparing the;phonon transmission and thermal conductance using force constants;obtained from semiempirical Stillinger-Weber potential and;first-principles DFT calculations.;Chen, Gang/J-1325-2014;Chen, Gang/0000-0002-3968-8530;14;0;0;0;14;1098-0121;WOS:000312064700004;;;J;Uhm, Sang Hoon;Yeom, Han Woong;Electron-phonon interaction of one-dimensional and two-dimensional;surface states in indium adlayers on the Si(111) surface;PHYSICAL REVIEW B;86;24;245408;10.1103/PhysRevB.86.245408;DEC 10 2012;2012;We performed angle-resolved photoelectron spectroscopy measurements on;one-and two-dimensional (1D and 2D) metallic surface states in indium;layers on the Si(111) surface as a function of temperature. The;temperature dependence of surface-state energy widths was used to;estimate the electron-phonon coupling constant lambda. The 2D metallic;surface states of the root 7 x root 3-In layer above one monolayer;exhibit lambda = 0.8 similar to 1.0, similar to the value of bulk indium;0.9. This is discussed in the light of a recent structure model with a;double indium layer and the relatively high superconducting transition;temperature of this surface. On the other hand, the lambda's of two 1D;surface states of the 4 x 1-In surface with one monolayer of indium are;much higher than that of root 7 x root 3-In, reaching 1.8, which is the;largest ever reported for a surface state. The origin of the enhanced;electron-phonon coupling and its relationship to the charge-density-wave;phase transition of this surface are discussed. DOI:;10.1103/PhysRevB.86.245408;1;0;0;0;1;1098-0121;WOS:000312065400008;;;J;Vekilova, O. Yu.;Simak, S. I.;Ponomareva, A. V.;Abrikosov, I. A.;Influence of Ni on the lattice stability of Fe-Ni alloys at multimegabar;pressures;PHYSICAL REVIEW B;86;22;224107;10.1103/PhysRevB.86.224107;DEC 10 2012;2012;The lattice stability trends of the primary candidate for Earth's core;material, the Fe-Ni alloy, were examined from first principles. We;employed the exact muffin-tin orbital method (EMTO) combined with the;coherent potential approximation (CPA) for the treatment of alloying;effects. It was revealed that high pressure reverses the trend in the;relative stabilities of the body-centered cubic (bcc), face-centered;cubic (fcc), and hexagonal close-packed (hcp) phases observed at ambient;conditions. In the low pressure region the increase of Ni concentration;in the Fe-Ni alloy enhances the bcc phase destabilization relative to;the more close-packed fcc and hcp phases. However, at 300 GPa (Earth's;core pressure), the effect of Ni addition is opposite. The reverse of;the trend is associated with the suppression of the ferromagnetism of Fe;when going from ambient pressures to pressure conditions corresponding;to those of Earth's core. The first-principles results are explained in;the framework of the canonical band model.;0;0;0;0;0;1098-0121;WOS:000312064300001;;;J;Wang, Kang;Light wave states in quasiperiodic metallic structures;PHYSICAL REVIEW B;86;23;235110;10.1103/PhysRevB.86.235110;DEC 10 2012;2012;We investigate the light wave states in the octagonal and decagonal;quasiperiodic metallic structures by considering their respective;approximants at different orders. The mechanisms underlying the light;wave behaviors are studied in relation to various structure parameters;and configurations. We show that the formation of the first passbands,;that delimit the photonic band gaps and determine the plasma gaps,;involves only the lowest frequency resonance modes inside the fat tiles,;and that light localization occurs due to resonances in high symmetry;local centers as well as in the fragments of such centers, formed by the;skinny tiles. The structure filling rate affects the localized state;frequencies relative to the first passbands, as well as the plasma;frequency levels, by modulating the frequency levels of the resonance;modes and the widths of the passbands. The results of this study can be;generalized to other metallic quasiperiodic and related structures.;1;0;0;0;1;1098-0121;WOS:000312064700001;;;J;Singh, Shashi B.;Yang, L. T.;Wang, Y. F.;Shao, Y. C.;Chiang, C. W.;Chiou, J. W.;Lin, K. T.;Chen, S. C.;Wang, B. Y.;Chuang, C. H.;Ling, D. C.;Pong, W. F.;Tsai, M. H.;Tsai, H. M.;Pao, C. W.;Shiu, H. W.;Chen, C. H.;Lin, H.-J.;Lee, J. F.;Yamane, H.;Kosugi, N.;Correlation between p-type conductivity and electronic structure of;Cr-deficient CuCr1-xO2 (x = 0-0.1);PHYSICAL REVIEW B;86;24;241103;10.1103/PhysRevB.86.241103;DEC 7 2012;2012;The correlation between the p-type hole conduction and the electronic;structures of Cr-deficient CuCr1-xO2 (x = 0-0.1) compounds was;investigated using O K-, Cu, and Cr L-3,L-2-edge x-ray absorption;near-edge structure (XANES), scanning photoelectron microscopy, and;x-ray emission spectroscopy measurements. XANES spectra reveal a gradual;increase in the Cu valence from Cu1+ to Cu2+ with increasing Cr;deficiency x, whereas, the valence of Cr remains constant as Cr3+. These;results indicate that the p-type conductivity in the CuCr1-xO2 samples;is enhanced by a Cu1+-O-Cu2+ rather than a Cr3+-Cr4+ or direct;Cu1+-O-Cu2+ holemechanism. Remarkable Cr-deficiency-induced changes in;the densities of Cu 3d, Cu 3d-O 2p, andO2p states at or near the;valence-band maximum or the Fermi level were also observed. In addition,;a crossover of conductionmechanism from thermally activated (TA) hopping;to a combination of TA and Mott's three-dimensional variable range;hopping occurs around 250 K.;Yamane, Hiroyuki/K-5297-2013;0;0;0;0;0;1098-0121;WOS:000312025700004;;;J;Bossy, Jacques;Ollivier, Jacques;Schober, Helmut;Glyde, H. R.;Excitations of amorphous solid helium;PHYSICAL REVIEW B;86;22;224503;10.1103/PhysRevB.86.224503;DEC 7 2012;2012;We present neutron scattering measurements of the dynamic structure;factor S(Q,omega) of amorphous solid helium confined in 47-angstrom pore;diameter MCM-41 at pressure 48.6 bars. At low temperature T = 0.05 K, we;observe S(Q,omega) of the confined quantum amorphous solid plus the bulk;polycrystalline solid between the MCM-41 powder grains. No liquidlike;phonon-roton modes, other sharply defined modes at low energy (omega <;1.0 meV), or modes unique to a quantum amorphous solid that might;suggest superflow are observed. Rather, the S(Q, omega) of confined;amorphous and bulk polycrystalline solid appear to be very similar. At;higher temperature (T > 1 K), the amorphous solid in the MCM-41 pores;melts to a liquid which has a broad S(Q,omega) peaked near omega similar;or equal to 0, characteristic of normal liquid He-4 under pressure.;Expressions for the S(Q,omega) of amorphous and polycrystalline solid;helium are presented and compared. In previous measurements of liquid;He-4 confined in MCM-41 at lower pressure, the intensity in the liquid;roton mode decreases with increasing pressure until the roton vanishes;at the solidification pressure (38 bars), consistent with no roton in;the solid observed here.;2;0;0;0;2;1098-0121;WOS:000321857700002;;;J;Joly, Yves;Collins, S. P.;Grenier, Stephane;Tolentino, Helio C. N.;De Santis, Maurizio;Birefringence and polarization rotation in resonant x-ray diffraction;PHYSICAL REVIEW B;86;22;220101;10.1103/PhysRevB.86.220101;DEC 7 2012;2012;Birefringence can contribute to x-ray resonant Bragg diffraction and;likely explains recent novel data collected on CuO. We prove these;statements using ab initio simulations which reproduce the experimental;polarization effects quantitatively. We show that an unrotated;polarization signal-ruled out in resonant magnetic scattering within the;electric dipole approximation-arises from the dynamic change in;polarization inside the material. We are able to reproduce all the;related behavior with circular polarization and its dependence on the;angle of rotation about the Bragg wave vector. We provide a tool to;disentangle the various physical origins of the polarization rotation,;providing a more complete understanding of the illuminated material.;TOLENTINO, HELIO/J-1894-2014; Grenier, Stephane/N-1986-2014;TOLENTINO, HELIO/0000-0003-4032-5988; Grenier,;Stephane/0000-0001-8370-7375;12;1;0;0;12;1098-0121;WOS:000321857700001;;;J;Kovacs, Istvan A.;Igloi, Ferenc;Cardy, John;Corner contribution to percolation cluster numbers;PHYSICAL REVIEW B;86;21;214203;10.1103/PhysRevB.86.214203;DEC 7 2012;2012;We study the number of clusters in two-dimensional (2d) critical;percolation, N-Gamma, which intersect a given subset of bonds, Gamma. In;the simplest case, when Gamma is a simple closed curve, N-Gamma is;related to the entanglement entropy of the critical diluted quantum;Ising model, in which Gamma represents the boundary between the;subsystem and the environment. Due to corners in Gamma there are;universal logarithmic corrections to N-Gamma, which are calculated in;the continuum limit through conformal in-variance, making use of the;Cardy-Peschel formula. The exact formulas are confirmed by large scale;Monte Carlo simulations. These results are extended to anisotropic;percolation where they confirm a result of discrete holomorphicity.;Kovacs, Istvan/A-8447-2013;5;0;0;0;5;1098-0121;WOS:000312023100003;;;J;Komsa, Hannu-Pekka;Krasheninnikov, Arkady V.;Effects of confinement and environment on the electronic structure and;exciton binding energy of MoS2 from first principles;PHYSICAL REVIEW B;86;24;241201;10.1103/PhysRevB.86.241201;DEC 7 2012;2012;Using GW first-principles calculations for few-layer and bulk MoS2, we;study the effects of quantum confinement on the electronic structure of;this layered material. By solving the Bethe-Salpeter equation, we also;evaluate the exciton energy in these systems. Our results are in;excellent agreement with the available experimental data. Exciton;binding energy is found to dramatically increase from 0.1 eV in the bulk;to 1.1 eV in the monolayer. The fundamental band gap increases as well,;so that the optical transition energies remain nearly constant. We also;demonstrate that environments with different dielectric constants have a;profound effect on the electronic structure of the monolayer. Our;results can be used for engineering the electronic properties of MoS2;and other transition-metal dichalcogenides and may explain the;experimentally observed variations in the mobility of monolayer MoS2.;Krasheninnikov, Arkady/M-3020-2013;Krasheninnikov, Arkady/0000-0003-0074-7588;50;4;0;0;50;1098-0121;WOS:000312025700003;;;J;Ciuchi, S.;Fratini, S.;Electronic transport and quantum localization effects in organic;semiconductors;PHYSICAL REVIEW B;86;24;245201;10.1103/PhysRevB.86.245201;DEC 7 2012;2012;We explore the charge transport mechanism in organic semiconductors;based on a model that accounts for the thermal intermolecular disorder;at work in pure crystalline compounds, as well as extrinsic sources of;disorder that are present in current experimental devices. Starting from;the Kubo formula, we describe a theoretical framework that relates the;time-dependent quantum dynamics of electrons to the frequency-dependent;conductivity. The electron mobility is then calculated through a;relaxation time approximation that accounts for quantum localization;corrections beyond Boltzmann theory, and allows us to efficiently;address the interplay between highly conducting states in the band range;and localized states induced by disorder in the band tails. The;emergence of a "transient localization" phenomenon is shown to be a;general feature of organic semiconductors that is compatible with the;bandlike temperature dependence of the mobility observed in pure;compounds. Carrier trapping by extrinsic disorder causes a crossover to;a thermally activated behavior at low temperature, which is;progressively suppressed upon increasing the carrier concentration, as;is commonly observed in organic field-effect transistors. Our results;establish a direct connection between the localization of the electronic;states and their conductive properties, formalizing phenomenological;considerations that are commonly used in the literature.;Fratini, Simone/A-4692-2009;Fratini, Simone/0000-0002-4750-3241;4;0;0;0;4;1098-0121;WOS:000312025700001;;;J;Huang, Bing;Lee, Hoonkyung;Defect and impurity properties of hexagonal boron nitride: A;first-principles calculation;PHYSICAL REVIEW B;86;24;245406;10.1103/PhysRevB.86.245406;DEC 7 2012;2012;In this paper, we have systematically studied the structural and;electronic properties of vacancy defects and carbon impurity in;hexagonal boron nitride (h-BN) by using both normal GGA calculations and;advanced hybrid functional calculations. Our calculations show that the;defect configurations and the local bond lengths around defects are;sensitive to their charge states. The highest negative defect charge;states are largely determined by the nearly-free-electron state at the;conduction band minimum of BN. Generally, the in-gap defect levels;obtained from hybrid functional calculations are much deeper than those;obtained from normal GGA calculations. The formation energies of neutral;defects calculated by hybrid functional and GGA are close to each other,;but the defect transition energy levels are quite different between GGA;and hybrid functional calculations. Finally, we show that the charged;defect configurations as well as the transition energy levels exhibit;interesting layer effects.;Huang, Bing/D-8941-2011;Huang, Bing/0000-0001-6735-4637;8;0;0;0;8;1098-0121;WOS:000312025700002;;;J;Maassen, T.;Vera-Marun, I. J.;Guimaraes, M. H. D.;van Wees, B. J.;Contact-induced spin relaxation in Hanle spin precession measurements;PHYSICAL REVIEW B;86;23;235408;10.1103/PhysRevB.86.235408;DEC 7 2012;2012;In the field of spintronics the "conductivity mismatch" problem remains;an important issue. Here the difference between the resistance of;ferromagnetic electrodes and a (high resistive) transport channel causes;injected spins to be backscattered into the leads and to lose their spin;information. We study the effect of the resulting contact-induced spin;relaxation on spin transport, in particular on nonlocal Hanle precession;measurements. As the Hanle line shape is modified by the contact-induced;effects, the fits to Hanle curves can result in incorrectly determined;spin transport properties of the transport channel. We quantify this;effect that mimics a decrease of the spin relaxation time of the channel;reaching more than four orders of magnitude and a minor increase of the;diffusion coefficient by less than a factor of two. Then we compare the;results to spin transport measurements on graphene from the literature.;We further point out guidelines for a Hanle precession fitting procedure;that allows the reliable extraction of spin transport properties from;measurements.;Vera-Marun, Ivan/A-4704-2013; Guimaraes, Marcos/K-1940-2013;Vera-Marun, Ivan/0000-0002-6347-580X;;14;1;0;0;14;1098-0121;WOS:000312024900002;;;J;Murch, K. W.;Ginossar, E.;Weber, S. J.;Vijay, R.;Girvin, S. M.;Siddiqi, I.;Quantum state sensitivity of an autoresonant superconducting circuit;PHYSICAL REVIEW B;86;22;220503;10.1103/PhysRevB.86.220503;DEC 7 2012;2012;When a frequency chirped excitation is applied to a classical high-Q;nonlinear oscillator, its motion becomes dynamically synchronized to the;drive and large oscillation amplitude is observed, provided the drive;strength exceeds the critical threshold for autoresonance. We;demonstrate that when such an oscillator is strongly coupled to a;quantized superconducting qubit, both the effective nonlinearity and the;threshold become a nontrivial function of the qubit-oscillator detuning.;Moreover, the autoresonant threshold is dependent on the quantum state;of the qubit and may be used to realize a high-fidelity, latching;readout whose speed is not limited by the oscillator Q.;1;0;0;0;1;1098-0121;WOS:000312024300001;;;J;Ondrejkovic, P.;Kempa, M.;Vysochanskii, Y.;Saint-Gregoire, P.;Bourges, P.;Rushchanskii, K. Z.;Hlinka, J.;Neutron scattering study of ferroelectric Sn2P2S6 under pressure;PHYSICAL REVIEW B;86;22;224106;10.1103/PhysRevB.86.224106;DEC 7 2012;2012;Ferroelectric phase transition in the semiconductor Sn2P2S6 single;crystal has been studied by means of neutron scattering in the;pressure-temperature range adjacent to the anticipated tricritical;Lifshitz point (p approximate to 0.18 GPa, T approximate to 296 K). The;observations reveal a direct ferroelectric-paraelectric phase transition;in the whole investigated pressure range (0.18-0.6 GPa). These results;are in a clear disagreement with phase diagrams assumed in numerous;earlier works, according to which a hypothetical intermediate;incommensurate phase extends over several or even tens of degrees in the;0.5 GPa pressure range. Temperature dependence of the anisotropic;quasielastic diffuse scattering suggests that polarization fluctuations;present above T-C are strongly reduced in the ordered phase. Still, the;temperature dependence of the ((2) over bar 00) Bragg reflection;intensity at p = 0.18 GPa can be remarkably well modeled assuming the;order-parameter amplitude growth according to the power law with;logarithmic corrections predicted for a uniaxial ferroelectric;transition at the tricritical Lifshitz point.;Hlinka, Jiri/G-5985-2014; Ondrejkovic, Petr/G-6654-2014; Kempa, Martin/G-8830-2014;1;0;0;0;1;1098-0121;WOS:000312024300002;;;J;Svindrych, Z.;Janu, Z.;Kozlowski, A.;Honig, J. M.;Low-temperature magnetic anomaly in magnetite;PHYSICAL REVIEW B;86;21;214406;10.1103/PhysRevB.86.214406;DEC 7 2012;2012;We have studied experimentally the responses of high-quality single;crystals of stoichiometric synthetic magnetite to applied weak dc and ac;magnetic fields in the range of 6-60 K, far below the Verwey transition.;The results can be compared to so-called magnetic after effects (MAE);measurements, which are the most extensive magnetic measurements of;magnetite at these temperatures. We present a novel point of view on the;relaxation phenomena encountered at these temperatures-the;low-temperature anomaly, addressing the striking difference between the;results of conventional ac susceptibility measurements and those;accompanying MAE measurements, i.e., periodic excitations with strong;magnetic pulses. We also draw a connection between this anomaly and the;so-called glasslike transition, and discuss possible mechanisms;responsible for these effects.;janu, zdenek/G-9113-2014;0;0;0;0;0;1098-0121;WOS:000312023100001;;;J;Tarantini, C.;Lee, S.;Kametani, F.;Jiang, J.;Weiss, J. D.;Jaroszynski, J.;Folkman, C. M.;Hellstrom, E. E.;Eom, C. B.;Larbalestier, D. C.;Artificial and self-assembled vortex-pinning centers in superconducting;Ba(Fe1-xCox)(2)As-2 thin films as a route to obtaining very high;critical-current densities;PHYSICAL REVIEW B;86;21;214504;10.1103/PhysRevB.86.214504;DEC 7 2012;2012;We report on the superior vortex pinning of single-and multilayer;Ba(Fe1-xCox)(2)As-2 thin films with self-assembled c-axis and;artificially introduced ab-plane pins. Ba(Fe1-xCox)(2)As-2 can accept a;very high density of pins (15-20 vol %) without T-c suppression. The;matching field is greater than 12 T, producing a significant enhancement;of the critical current density J(c), an almost isotropic J(c) (theta,;20 T) > 10(5) A/cm(2), and global pinning force density F-p of similar;to 50 GN/m(3). This scenario strongly differs from the high-temperature;superconducting cuprates where the addition of pins without Tc;suppression is limited to 2-4 vol %, leading to small H-Irr enhancements;and improved J(c) only below 3-5 T.;Lee, Sanghan/C-8876-2012; Eom, Chang-Beom/I-5567-2014;7;2;0;0;7;1098-0121;WOS:000312023100002;;;J;Xia, Junchao;Carter, Emily A.;Density-decomposed orbital-free density functional theory for covalently;bonded molecules and materials;PHYSICAL REVIEW B;86;23;235109;10.1103/PhysRevB.86.235109;DEC 7 2012;2012;We propose a density decomposition scheme using a Wang-Govind-Carter-;(WGC-) based kinetic energy density functional (KEDF) to accurately and;efficiently simulate various covalently bonded molecules and materials;within orbital-free (OF) density functional theory (DFT). By using a;local, density-dependent scale function, the total density is decomposed;into a highly localized density within covalent bond regions and a;flattened delocalized density, with the former described by semilocal;KEDFs and the latter treated by the WGC KEDF. The new model predicts;reasonable equilibrium volumes, bulk moduli, and phase-ordering energies;for various semiconductors compared to Kohn-Sham (KS) DFT benchmarks.;The decomposition formalism greatly improves numerical stability and;accuracy, while retaining computational speed compared to simply;applying the original WGC KEDF to covalent materials. The surface energy;of Si(100) and various diatomic molecule properties can be stably;calculated and also agree well with KSDFT benchmarks. This;linear-scaled, computationally efficient, density-partitioned,;multi-KEDF scheme opens the door to large-scale simulations of;molecules, semiconductors, and insulators with OFDFT.;7;0;0;0;7;1098-0121;WOS:000312024900001;;;J;Zhao, Yang;Gong, Shou-Shu;Wang, Yong-Jun;Su, Gang;Low-energy effective theory and two distinct critical phases in a;spin-1/2 frustrated three-leg spin tube;PHYSICAL REVIEW B;86;22;224406;10.1103/PhysRevB.86.224406;DEC 7 2012;2012;Motivated by the crystal structures of [(CuCl(2)tachH)(3)Cl]Cl-2 and;Ca3Co2O6, we develop a low-energy effective theory using the;bosonization technique for a spin-1/2 frustrated three-leg spin tube;with trigonal prism units in two limit cases. The features obtained with;the effective theory are numerically elucidated by the density matrix;renormalization group method. Three different quantum phases in the;ground state of the system, say, one gapped dimerized phase and two;distinct gapless phases, are identified, where the two gapless phases;are found to have the conformal central charge c = 1 and 3/2,;respectively. Spin gaps, spin and dimer correlation functions, and the;entanglement entropy are obtained. In particular, it is disclosed that;the critical phase with c = 3/2 is the consequence of spin frustrations,;which might belong to the SU(2)(k=2) Wess-Zumino-Witten-Novikov;universality class, and is induced by the twist term in the bosonized;Hamiltonian density.;Su, Gang/G-6092-2011;Su, Gang/0000-0002-8149-4342;1;1;0;0;1;1098-0121;WOS:000312024300003;;;J;Vucicevic, J.;Goerbig, M. O.;Milovanovic, M. V.;d-wave superconductivity on the honeycomb bilayer;PHYSICAL REVIEW B;86;21;214505;10.1103/PhysRevB.86.214505;DEC 7 2012;2012;We introduce a microscopic model on the honeycomb bilayer, which in the;small-momentum limit captures the usual (quadratic dispersion in the;kinetic term) description of bilayer graphene. In the limit of strong;interlayer hopping it reduces to an effective honeycomb monolayer model;with also third-neighbor hopping. We study interaction effects in this;effective model, focusing on possible superconducting instabilities. We;find d(x2-y2) superconductivity in the strong-coupling limit of an;effective tJ -model-like description that gradually transforms into d +;id time-reversal symmetry-breaking superconductivity at weak couplings.;In this limit the small-momentum order-parameter expansion is (k(x) +;ik(y) )(2) [or (k(x) + ik(y) )(2)] in both valleys of the effective;low-energy description. The relevance of our model and investigation for;the physics of bilayer graphene is also discussed.;5;0;0;0;5;1098-0121;WOS:000312023100004;;;J;Etzioni, Yoav;Horovitz, Baruch;Le Doussal, Pierre;Rings and Coulomb boxes in dissipative environments;PHYSICAL REVIEW B;86;23;235406;10.1103/PhysRevB.86.235406;DEC 6 2012;2012;We study a particle on a ring in the presence of a dissipative;Caldeira-Leggett environment and derive its response to a dc field. We;show how this non-equilibrium response is related to a flux averaged;equilibrium response. We find, through a two-loop renormalization group;analysis, that a large dissipation parameter eta flows to a fixed point;eta(R) = (h) over bar/(2 pi). We also reexamine the mapping of this;problem to that of the Coulomb box and show that the relaxation;resistance, of recent interest, is quantized for large eta. For finite;eta > eta(R) we find that a certain average of the relaxation resistance;is quantized. We propose a Coulomb-box experiment to measure a quantized;noise. DOI: 10.1103/PhysRevB.86.235406;1;0;0;0;1;1098-0121;WOS:000312024600004;;;J;Fontana, Yannik;Grzela, Grzegorz;Bakkers, Erik P. A. M.;Rivas, Jaime Gomez;Mapping the directional emission of quasi-two-dimensional photonic;crystals of semiconductor nanowires using Fourier microscopy;PHYSICAL REVIEW B;86;24;245303;10.1103/PhysRevB.86.245303;DEC 6 2012;2012;Controlling the dispersion and directionality of the emission of;nanosources is one of the major goals of nanophotonics research. This;control will allow the development of highly efficient nanosources even;at the single-photon level. One of the ways to achieve this goal is to;couple the emission to Bloch modes of periodic structures. Here, we;present the first measurements of the directional emission from nanowire;photonic crystals by using Fourier microscopy. With this technique, we;efficiently collect and resolve the directional emission of nanowires;within the numerical aperture of a microscope objective. The light;emission from a heterostructure grown in each nanowire is governed by;the photonic (Bloch) modes of the photonic crystal. We also demonstrate;that the directionality of the emission can be easily controlled by;infiltrating the photonic crystal with a high refractive index liquid.;This work opens new possibilities for the control of the emission of;sources in nanowires.;5;0;0;0;5;1098-0121;WOS:000312025300005;;;J;Fujimori, Shin-ichi;Ohkochi, Takuo;Okane, Tetsuo;Saitoh, Yuji;Fujimori, Atsushi;Yamagami, Hiroshi;Haga, Yoshinori;Yamamoto, Etsuji;Onuki, Yoshichika;Itinerant nature of U 5f states in uranium mononitride revealed by;angle-resolved photoelectron spectroscopy;PHYSICAL REVIEW B;86;23;235108;10.1103/PhysRevB.86.235108;DEC 6 2012;2012;The electronic structure of the antiferromagnet uranium nitride (UN) has;been studied by angle-resolved photoelectron spectroscopy (ARPES) using;soft x-rays (h nu = 420-520 eV). Strongly dispersive bands with large;contributions from the U 5f states were observed in ARPES spectra and;form Fermi surfaces. The band structure as well as the Fermi surfaces in;the paramagnetic phase are well explained by the band-structure;calculation treating all the U 5f electrons as being itinerant,;suggesting that an itinerant description of the U 5f states is;appropriate for this compound. On the other hand, changes in the;spectral function due to the antiferromagnetic transition were very;small. The shapes of the Fermi surfaces in a paramagnetic phase are;highly three-dimensional, and the nesting of Fermi surfaces is unlikely;as the origin of the magnetic ordering. DOI: 10.1103/PhysRevB.86.235108;2;0;0;0;2;1098-0121;WOS:000312024600002;;;J;Hosseini, Mir Vahid;Zareyan, Malek;Unconventional superconducting states of interlayer pairing in bilayer;and trilayer graphene;PHYSICAL REVIEW B;86;21;214503;10.1103/PhysRevB.86.214503;DEC 6 2012;2012;We develop a theory for interlayer pairing of chiral electrons in;graphene materials which results in an unconventional superconducting;state with an s-wave spin-triplet order parameter. In a pure bilayer;graphene, this superconductivity exhibits a gapless property with an;exotic effect of temperature-induced condensation causing an increase of;the pairing amplitude with increasing temperature. We find that a finite;doping opens a gap in the excitation spectrum and weakens this anomalous;temperature dependence. We further explore the possibility of realizing;a variety of pairing patterns with different topologies of the Fermi;surface, by tuning the difference in the doping of the two layers. In;trilayer graphene, the interlayer superconductivity is characterized by;a two-component order parameter which can be used to define two distinct;phases in which only one of the components is nonvanishing. For ABA;stacking the stable state is determined by a competition between these;two phases. On variation of the relative amplitude of the corresponding;coupling strength, a first-order phase transition can occur between;these two phases. For ABC stacking, we find that the two phases coexist;with the possibility of a similar phase transition, which turns out to;be second order. DOI: 10.1103/PhysRevB.86.214503;1;0;0;0;1;1098-0121;WOS:000312022700003;;;J;Kajihara, Y.;Inui, M.;Matsuda, K.;Nagao, T.;Ohara, K.;Density fluctuations at the continuous liquid-liquid phase transition in;chalcogen systems;PHYSICAL REVIEW B;86;21;214202;10.1103/PhysRevB.86.214202;DEC 6 2012;2012;We have carried out density and small-angle x-ray scattering;measurements on a typical liquid chalcogen (Te, Se) system to;investigate its continuous liquid-liquid phase transition. With;increasing temperature, the zero-wave-number structure factor S(0) shows;a maximum in the middle of the transition region where the density;exhibits negative thermal expansion. This is direct evidence of density;fluctuations induced by the liquid-liquid phase transition. When the;sample is pressurized to 100 MPa, the density and S(0) curves shift to;the lower temperature side, which is consistent with the shift of the;structural transition. We discuss the similarity between liquid Te and;liquid water from the viewpoint of fluctuations induced by the;liquid-liquid transition. DOI: 10.1103/PhysRevB.86.214202;1;0;0;0;1;1098-0121;WOS:000312022700001;;;J;Khuntia, P.;Strydom, A. M.;Wu, L. S.;Aronson, M. C.;Steglich, F.;Baenitz, M.;Field-tuned critical fluctuations in YFe2Al10: Evidence from;magnetization, Al-27 NMR, and NQR investigations;PHYSICAL REVIEW B;86;22;220401;10.1103/PhysRevB.86.220401;DEC 6 2012;2012;We report magnetization, specific heat, and NMR investigations on;YFe2Al10 over a wide range of temperature and magnetic field and zero;field (NQR) measurements. Magnetic susceptibility, specific heat, and;spin-lattice relaxation rate divided by T (1/T1T) follow a weak power;law (similar to T-0.4) temperature dependence, which is a signature of;the critical fluctuations of Fe moments. The value of the;Sommerfeld-Wilson ratio and the linear relation between 1/T1T and.;suggest the existence of ferromagnetic correlations in this system. No;magnetic ordering down to 50 mK in C-p(T)/T and the unusual T and H;scaling of the bulk and NMR data are associated with a magnetic;instability which drives the system to quantum criticality. The magnetic;properties of the system are tuned by field wherein ferromagnetic;fluctuations are suppressed and a crossover from quantum critical to;Fermi-liquid behavior is observed with increasing magnetic field.;Khuntia, Panchanan /E-4270-2010;5;1;0;0;5;1098-0121;WOS:000312023600001;;;J;Marsh, J.;Camley, R. E.;Two-wave mixing in nonlinear magnetization dynamics: A perturbation;expansion of the Landau-Lifshitz-Gilbert equation;PHYSICAL REVIEW B;86;22;224405;10.1103/PhysRevB.86.224405;DEC 6 2012;2012;Recent experiments have shown that two electromagnetic waves can be;mixed together by a nonlinear process in magnetic materials and can;produce a wide variety of output waves, each with a different frequency.;A perturbation expansion of the Landau-Lifschitz-Gilbert equation is;presented which provides qualitative and quantitative understanding of;this process. The results of this expansion are compared to both;experiment and direct numerical solutions.;1;0;0;0;1;1098-0121;WOS:000312023600004;;;J;Norris, Scott A.;Stress-induced patterns in ion-irradiated silicon: Model based on;anisotropic plastic flow;PHYSICAL REVIEW B;86;23;235405;10.1103/PhysRevB.86.235405;DEC 6 2012;2012;We present a model for the effect of stress on thin amorphous films that;develop atop ion-irradiated silicon, based on the mechanism of;ion-induced anisotropic plastic flow. Using only parameters directly;measured or known to high accuracy, the model exhibits remarkably good;agreement with the wavelengths of experimentally observed patterns and;agrees qualitatively with limited data on ripple propagation speed. The;predictions of the model are discussed in the context of other;mechanisms recently theorized to explain the wavelengths, including;extensive comparison with an alternate model of stress. DOI:;10.1103/PhysRevB.86.235405;14;0;0;0;14;1098-0121;WOS:000312024600003;;;J;Ostlin, A.;Chioncel, L.;Vitos, L.;One-particle spectral function and analytic continuation for many-body;implementation in the exact muffin-tin orbitals method;PHYSICAL REVIEW B;86;23;235107;10.1103/PhysRevB.86.235107;DEC 6 2012;2012;We investigate one of the most common analytic continuation techniques;in condensed matter physics, namely the Pade approximant. Aspects;concerning its implementation in the exact muffin-tin orbitals (EMTO);method are scrutinized with special regard towards making it stable and;free of artificial defects. The electronic structure calculations are;performed for solid hydrogen, and the performance of the analytical;continuation is assessed by monitoring the density of states constructed;directly and via the Pade approximation. We discuss the difference;between the k-integrated and k-resolved analytical continuations, as;well as describing the use of random numbers and pole residues to;analyze the approximant. It is found that the analytic properties of the;approximant can be controlled by appropriate modifications, making it a;robust and reliable tool for electronic structure calculations. At the;end, we propose a route to perform analytical continuation for the;EMTO+dynamical mean field theory method. DOI: 10.1103/PhysRevB.86.235107;0;0;0;0;0;1098-0121;WOS:000312024600001;;;J;Rauch, D.;Suellow, S.;Bleckmann, M.;Klemke, B.;Kiefer, K.;Kim, M. S.;Aronson, M. C.;Bauer, E.;Magnetic phase diagram of CePt3B1-xSix;PHYSICAL REVIEW B;86;24;245104;10.1103/PhysRevB.86.245104;DEC 6 2012;2012;We present a study of the main bulk properties (susceptibility,;magnetization, resistivity, and specific heat) of CePt3B1-xSix, an;alloying system that crystallizes in a noncentrosymmetric lattice, and;derive the magnetic phase diagram. The materials at the end point of the;alloying series have previously been studied, with CePt3B established as;a material with two different magnetic phases at low temperatures;(antiferromagnetic below T-N = 7.8 K, weakly ferromagnetic below T-C;approximate to 5 K), while CePt3Si is a heavy fermion superconductor;(T-c = 0.75 K) coexisting with antiferromagnetism (T-N = 2.2 K). From;our experiments we conclude that the magnetic phase diagram is divided;into two regions. In the region of low Si content (up to x similar to;0.7) the material properties resemble those of CePt3B. Upon increasing;the Si concentration further the magnetic ground state continuously;transforms into that of CePt3Si. In essence, we argue that CePt3B can be;understood as a low pressure variant of CePt3Si.;Kiefer, Klaus/J-3544-2013; Klemke, Bastian/J-4746-2013;Kiefer, Klaus/0000-0002-5178-0495; Klemke, Bastian/0000-0003-4560-6025;0;0;0;0;0;1098-0121;WOS:000312025300004;;;J;Schoenecker, Stephan;Richter, Manuel;Koepernik, Klaus;Eschrig, Helmut;Ferromagnetic elements by epitaxial growth: A density functional;prediction (vol 85, 024407, 2012);PHYSICAL REVIEW B;86;21;219901;10.1103/PhysRevB.86.219901;DEC 6 2012;2012;0;0;0;0;0;1098-0121;WOS:000312022700004;;;J;Sedlmeier, Katrin;Elsaesser, Sebastian;Neubauer, David;Beyer, Rebecca;Wu, Dan;Ivek, Tomislav;Tomic, Silvia;Schlueter, John A.;Dressel, Martin;Absence of charge order in the dimerized kappa-phase BEDT-TTF salts;PHYSICAL REVIEW B;86;24;245103;10.1103/PhysRevB.86.245103;DEC 6 2012;2012;Utilizing infrared vibrational spectroscopy we have investigated;dimerized two-dimensional organic salts in order to search for possible;charge redistribution that might constitute electronic dipoles and;ferroelectricity: the quantum spin liquid kappa-(BEDT-TTF)(2)Cu-2(CN)(3);[BEDT-TTF: bis-(ethylenedithio)tetrathiafulvalene], the;antiferromagnetic Mott insulator kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Cl, and;the superconductor kappa-(BEDT-TTF)(2)Cu[N(CN)(2)]Br. None of them;exhibit any indication of charge disproportionation. Upon cooling to low;temperatures all BEDT-TTF molecules remain homogeneously charged within;+/- 0.005e. No modification in the charge distribution is observed;around T = 6 K where a low-temperature anomaly has been reported for the;spin-liquid material kappa-(BEDT-TTF)(2)Cu-2(CN)(3). In this compound;the in-plane optical response and vibrational coupling are rather;anisotropic, indicating that the tilt of the BEDT-TTF molecules in c;direction and their coupling to the anion layers has to be considered in;the explanation of the electromagnetic properties.;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;14;0;0;0;14;1098-0121;WOS:000312025300003;;;J;Siloi, I.;Troiani, F.;Towards the chemical tuning of entanglement in molecular nanomagnets;PHYSICAL REVIEW B;86;22;224404;10.1103/PhysRevB.86.224404;DEC 6 2012;2012;Antiferromagnetic spin rings represent prototypical realizations of;highly correlated, low-dimensional systems. Here we theoretically show;how the introduction of magnetic defects by controlled chemical;substitutions results in a strong spatial modulation of spin-pair;entanglement within each ring. Entanglement between local degrees of;freedom (individual spins) and collective ones (total ring spins) are;shown to coexist in exchange-coupled ring dimers, as can be deduced from;general symmetry arguments. We verify the persistence of these features;at finite temperatures, and discuss them in terms of experimentally;accessible observables.;Troiani, Filippo/B-4787-2011;5;0;0;0;5;1098-0121;WOS:000312023600003;;;J;Sreenivasulu, G.;Petrov, V. M.;Fetisov, L. Y.;Fetisov, Y. K.;Srinivasan, G.;Magnetoelectric interactions in layered composites of piezoelectric;quartz and magnetostrictive alloys;PHYSICAL REVIEW B;86;21;214405;10.1103/PhysRevB.86.214405;DEC 6 2012;2012;Mechanical strain mediated magnetoelectric effects are studied in;bilayers and trilayers of piezoelectric quartz and magnetostrictive;permendur (P), an alloy of Fe-Co-V. It is shown that the magnetoelectric;voltage coefficient (MEVC), proportional to the ratio of the;piezoelectric coupling coefficient to the permittivity, is higher in;quartz-based composites than for traditional ferroelectrics-based ME;composites. In bilayers of X-cut single crystal quartz and permendur,;the MEVC varies from 1.5 V/cm Oe at 20 Hz to similar to 185 V/cm Oe at;bending resonance or electromechanical resonance corresponding to;longitudinal acoustic modes. In symmetric X-cut quartz-P trilayers, the;MEVC similar to 4.8 V/cm Oe at 20 Hz and similar to 175 V/cm Oe at;longitudinal acoustic resonance. Trilayers of Y-cut quartz and permendur;show ME coupling under a shear strain with an MEVC that is an order of;magnitude smaller than for longitudinal strain in samples with X-cut;quartz. A model for low-frequency and resonance ME effects which allows;for explicit expressions of MEVC and resonance frequencies is provided;and calculated. MEVCs are in general agreement with measured values.;Magnetoelectric composites with quartz have the desired characteristics;such as the absence of ferroelectric hysteresis and pyroelectric losses;and could potentially replace ferroelectrics in composite-based magnetic;sensors, transducers, and high-frequency devices. DOI:;10.1103/PhysRevB.86.214405;Gollapudi, Sreenivasulu/G-9832-2012;Gollapudi, Sreenivasulu/0000-0002-6136-7119;8;0;0;0;8;1098-0121;WOS:000312022700002;;;J;Syzranov, S. V.;Yevtushenko, O. M.;Efetov, K. B.;Fermionic and bosonic ac conductivities at strong disorder;PHYSICAL REVIEW B;86;24;241102;10.1103/PhysRevB.86.241102;DEC 6 2012;2012;We study the ac conduction in a system of fermions or bosons strongly;localized in a disordered array of sites with short-range interactions;at frequencies larger than the intersite tunneling but smaller than the;characteristic fluctuation of the on-site energy. While the main;contribution sigma(0)(omega) to the conductivity comes from local;dipole-type excitations on close pairs of sites, coherent processes on;three or more sites lead to an interference correction sigma(1)(omega),;which depends on the statistics of the charge carriers and can be;suppressed by a magnetic field. For bosons the correction is always;positive, while for fermions it can be positive or negative depending on;whether the conduction is dominated by effective single-particle or;single-hole processes. We calculate the conductivity explicitly assuming;a constant density of states of single-site excitations. Independently;of the statistics, sigma(0)(omega) = const. For bosons, sigma(1)(omega);proportional to log(C/omega). For fermions, sigma(1)(omega) proportional;to log[max(A,omega)/omega] - log[max(B,omega)/omega], where the first;and the second term are, respectively, the particle and hole;contributions, A and B being the particle and hole energy cutoffs. The;ac magnetoresistance has the same sign as sigma(1)(omega).;Efetov, Konstantin/H-8852-2013;0;0;0;0;0;1098-0121;WOS:000312025300001;;;J;Troeppner, C.;Schmitt, T.;Reuschl, M.;Hammer, L.;Schneider, M. A.;Mittendorfer, F.;Redinger, J.;Podloucky, R.;Weinert, M.;Incommensurate Moire overlayer with strong local binding: CoO(111);bilayer on Ir(100);PHYSICAL REVIEW B;86;23;235407;10.1103/PhysRevB.86.235407;DEC 6 2012;2012;Incommensurate relaxed overlayer Moire structures are often interpreted;as systems with weak lateral variations of the binding potential and;thus no structural modulations in the overlayer material. We discuss;here the example of a CoO(111) bilayer on Ir(100), which is a relaxed;overlayer with strong structural response to the lateral modulation of;interface properties but nevertheless is incommensurate. By means of;density functional theory (DFT) calculations, we quantitatively;reproduce all the structural parameters of the CoO(111) bilayer on;Ir(100) as proposed by a recent low-energy electron diffraction analysis;[Ebensperger et al., Phys. Rev. B 81, 235405 (2010)]. The calculations;predict energetic degeneracies with respect to registry shifts of the;CoO(111) film along [01 (1) over bar]. Large-scale, low-temperature;scanning tunneling microscopy topographies reveal that the true;structure of the film is incommensurate in this direction, exhibiting a;one-dimensional Moire pattern with a period of about 9.4 a(Ir). From DFT;calculations for limiting (periodic) models, we can sample the potential;landscape of the cobalt and oxygen atoms in the Moire structure across;the Ir(100) unit cell. We find that despite the non-commensurability of;the film, the binding to the substrate is site specific with strong;attraction and repulsion points for both cobalt and oxygen atoms,;leading to severe local distortions in the film. The lateral modulation;of the structural elements within the oxide film can be understood as a;combination of the lateral variation in the Co-Ir binding potential and;additional O-Ir binding. DOI: 10.1103/PhysRevB.86.235407;Schneider, M. Alexander/C-6241-2013; Hammer, Lutz/D-9863-2013; Schneider, M. Alexander/B-4444-2012; Mittendorfer, Florian/L-5929-2013;Schneider, M. Alexander/0000-0002-8607-3301;;3;0;0;0;3;1098-0121;WOS:000312024600005;;;J;Tyunina, M.;Dejneka, A.;Chvostova, D.;Levoska, J.;Plekh, M.;Jastrabik, L.;Phase transitions in ferroelectric Pb0.5Sr0.5TiO3 films probed by;spectroscopic ellipsometry;PHYSICAL REVIEW B;86;22;224105;10.1103/PhysRevB.86.224105;DEC 6 2012;2012;Phase transitions occurring in 130-nm-thick films of;perovskite-structure ferroelectric Pb0.5Sr0.5TiO3 are experimentally;studied by combining spectroscopic ellipsometry and low-frequency;dielectric analysis. Polycrystalline and polydomain epitaxial films with;relaxed misfit strain and columnar microstructure are investigated. The;paraelectric and the ferroelectric states, and the temperatures and;widths of the paraelectric-to-ferroelectric phase transitions, are;identified from the temperature evolution of refractive index measured;in transparency range. The temperatures at which transitions start on;cooling are found to be considerably higher than the temperatures of the;dielectric peaks. In contrast to the broad dielectric peaks, the;transition width of 60 K in the polycrystalline film and that of 20 K in;the polydomain epitaxial film are revealed. The discrepancies between;optical and dielectric data are explained by the influence of extrinsic;factors on the low-frequency response of the thin-film capacitors. It is;suggested that fundamental mechanisms of ferroelectric phase transitions;in thin films can be revealed by studies of thermo-optical properties.;Dejneka, Alexandr/G-6384-2014; Jastrabik, Lubomir /H-1217-2014; Chvostova, Dagmar/G-9360-2014;6;0;0;0;6;1098-0121;WOS:000312023600002;;;J;Zeng, Hualing;Zhu, Bairen;Liu, Kai;Fan, Jiahe;Cui, Xiaodong;Zhang, Q. M.;Low-frequency Raman modes and electronic excitations in atomically thin;MoS2 films;PHYSICAL REVIEW B;86;24;241301;10.1103/PhysRevB.86.241301;DEC 6 2012;2012;Atomically thin MoS2 crystals have been recognized as;quasi-two-dimensional semiconductors with remarkable physical;properties. We report our Raman scattering measurements on multilayer;and monolayer MoS2, especially in the low-frequency range (<50 cm(-1)).;We find two low-frequency Raman modes with a contrasting thickness;dependence. When increasing the number of MoS2 layers, one mode shows a;significant increase in frequency while the other decreases following a;1/N (N denotes the number of unit layers) trend. With the aid of;first-principles calculations we assign the former as the shear mode;E-2g(2). The latter is distinguished as the compression vibrational;mode, similar to the surface vibration of other epitaxial thin films.;The opposite evolution of the two modes with thickness demonstrates;vibrational modes in an atomically thin crystal as well as a more;precise way to characterize the thickness of atomically thin MoS2 films.;In addition, we observe a broad feature around 38 cm(-1) (5 meV) which;is visible only under near-resonance excitation and pinned at a fixed;energy, independent of thickness. We interpret the feature as an;electronic Raman scattering associated with the spin-orbit coupling;induced splitting in a conduction band at K points in their Brillouin;zone.;Liu, Kai/K-4157-2012; Cui, Xiaodong/C-2023-2009; Zeng, Hualing/J-4411-2014;Cui, Xiaodong/0000-0002-2013-8336;;19;1;0;0;19;1098-0121;WOS:000312025300002;;;J;Anand, V. K.;Johnston, D. C.;Observation of a phase transition at 55 K in single-crystal CaCu1.7As2;PHYSICAL REVIEW B;86;21;214501;10.1103/PhysRevB.86.214501;DEC 5 2012;2012;We present the structural, magnetic, thermal and ab-plane electronic;transport properties of single crystals of CaCu1.7As2 grown by the;self-flux technique that were investigated by powder x-ray diffraction,;magnetic susceptibility chi, isothermal magnetization M, specific heat;C-p, and electrical resistivity rho measurements as a function of;temperature T and magnetic field H. X-ray diffraction analysis of;crushed crystals at room temperature confirm the collapsed tetragonal;ThCr2Si2-type structure with similar to 15% vacancies on the Cu sites as;previously reported, corresponding to the composition CaCu1.7As2. The;chi(T) data are diamagnetic, anisotropic, and nearly independent of T.;The chi is larger in the ab plane than along the c axis, as also;observed previously for SrCu2As2 and for pure and doped BaFe2As2. The;C-p(T) and rho(T) data indicate metallic sp-band character. In contrast;to the rho(T) and C-p(T) data that do not show any evidence for phase;transitions below 300 K, the rho(T) data exhibit a sharp decrease on;cooling below a temperature T-t = 54-56 K, depending on the crystal. The;chi(T) data show no hysteresis on warming and cooling through T-t and;the transition thus appears to be second order. The phase transition may;arise from spatial ordering of the vacancies on the Cu sublattice. The;T-t is found to be independent of H for H <= 8 T. A positive;magnetoresistance is observed below T-t that increases with decreasing T;and attains a value in H = 8.0 T of 8.7% at T = 1.8 K.;Anand, Vivek Kumar/J-3381-2013;Anand, Vivek Kumar/0000-0003-2023-7040;5;0;0;0;5;1098-0121;WOS:000311910400003;;;J;Avetisyan, Siranush;Pietilaeinen, Pekka;Chakraborty, Tapash;Strong enhancement of Rashba spin-orbit coupling with increasing;anisotropy in the Fock-Darwin states of a quantum dot (vol 85, 153301,;2012);PHYSICAL REVIEW B;86;23;239901;10.1103/PhysRevB.86.239901;DEC 5 2012;2012;1;0;0;0;1;1098-0121;WOS:000311911500005;;;J;Berman, Oleg L.;Kezerashvili, Roman Ya.;Ziegler, Klaus;Superfluidity and collective properties of excitonic polaritons in;gapped graphene in a microcavity;PHYSICAL REVIEW B;86;23;235404;10.1103/PhysRevB.86.235404;DEC 5 2012;2012;We predict the formation and superfluidity of polaritons in an optical;microcavity formed by excitons in gapped graphene embedded there and;microcavity photons. The Rabi splitting related to the creation of an;exciton in a graphene layer in the presence of the band gap is obtained.;It is demonstrated that the Rabi splitting decreases when the energy gap;increases, while the larger value of the dielectric constant of the;microcavity gives a smaller value for the Rabi splitting. The analysis;of collective excitations as well as the sound velocity is presented. We;show that the superfluid density n(s) and temperature of the;Kosterlitz-Thouless phase transition T-c are decreasing functions of the;energy gap.;2;0;0;0;2;1098-0121;WOS:000311911500004;;;J;Bernu, S.;Fertey, P.;Itie, J. -P.;Berger, H.;Foury-Leylekian, P.;Pouget, J. -P.;Vanishing of the metal-insulator Peierls transition in pressurized BaVS3;PHYSICAL REVIEW B;86;23;235105;10.1103/PhysRevB.86.235105;DEC 5 2012;2012;BaVS3 presents a metal-to-insulator (MI) transition at ambient pressure;due to the stabilization of a 2k(F) commensurate charge density wave;(CDW) Peierls ground state built on the dz(2) V orbitals. The MI;transition vanishes under pressure at a quantum critical point (QCP);where the electronic properties exhibit a non-Fermi liquid behavior. In;this paper, we determine the CDW phase diagram under pressure and show;that it combines both the vanishing of the second-order Peierls;transition and a commensurate-incommensurate first-order delocking;transition of the 2k(F) wave vector. We explain quantitatively the drop;of the MI critical temperature by the decrease of the electron-hole pair;lifetime of the CDW condensate due to an enhancement of the;hybridization between the dz(2) and e(t(2g)) levels of the V under;pressure.;0;0;0;0;0;1098-0121;WOS:000311911500001;;;J;Bobaru, S.;Gaudry, E.;de Weerd, M. -C.;Ledieu, J.;Fournee, V.;Competing allotropes of Bi deposited on the Al13Co4(100) alloy surface;PHYSICAL REVIEW B;86;21;214201;10.1103/PhysRevB.86.214201;DEC 5 2012;2012;The growth and stability of Bi thin films on the Al13Co4(100) surface;has been investigated from the submonolayer to high-coverage regime by;scanning tunneling microscopy (STM) and low-energy electron diffraction;(LEED) for temperatures ranging from 57 to 633 K. Initially, Bi;adsorption leads to the formation of a pseudomorphic monolayer, followed;by the growth of islands of different heights with increasing coverage.;The in-plane structure, island height, and island morphology indicate;that these islands adopt either a pseudocubic (110) or hexagonal (111);orientation normal to the surface. The (110)-oriented islands correspond;to bilayer stacking (either two or four monolayers in height) while the;(111)-oriented islands correspond to either three-or four-layer;stacking. The in-plane orientation of (110) islands with respect to the;substrate is random, while (111) islands adopt one of four possible;orientations. In addition, the (111) islands show a moire structure. The;fact that Bi islands grow with either (110) or (111) orientation;simultaneously on the same substrate relates to a subtle energy balance;between both orientations according to ab initio calculations, allowing;both structures to coexist. The island density dependence versus both;deposition temperature and flux, their most frequent structure type,;reshaping effects, and chemical reactivity of the different allotropes;are also discussed in this paper.;Gaudry, Emilie/G-9682-2011; Ledieu, Julian/F-1430-2010;2;0;0;0;2;1098-0121;WOS:000311910400002;;;J;Czarnik, Piotr;Cincio, Lukasz;Dziarmaga, Jacek;Projected entangled pair states at finite temperature: Imaginary time;evolution with ancillas;PHYSICAL REVIEW B;86;24;245101;10.1103/PhysRevB.86.245101;DEC 5 2012;2012;A projected entangled pair state (PEPS) with ancillas is evolved in;imaginary time. This tensor network represents a thermal state of a;two-dimensional (2D) lattice quantum system. A finite-temperature phase;diagram of the 2D quantum Ising model in a transverse field is obtained;as a benchmark application.;2;0;0;0;2;1098-0121;WOS:000311912300002;;;J;de Jong, Maarten;Olmsted, David L.;van de Walle, Axel;Asta, Mark;First-principles study of the structural and elastic properties of;rhenium-based transition-metal alloys;PHYSICAL REVIEW B;86;22;224101;10.1103/PhysRevB.86.224101;DEC 5 2012;2012;Structural, energetic, and elastic properties of hexagonal-close-packed;rhenium-based transition-metal alloys are computed by density-functional;theory. The practical interest in these materials stems from the;attractive combination of mechanical properties displayed by rhenium for;structural applications requiring the combination of high melting;temperature and low-temperature ductility. Single-crystal elastic;constants, atomic volumes, axial c/a ratios, and dilute heats of;solution for Re-X alloys are computed, considering all possible;transition-metal solute species X. Calculated elastic constants are used;to compute values of a commonly considered intrinsic-ductility parameter;K/G, where K is the bulk modulus and G denotes the Voigt average of the;shear modulus, as well as the anisotropies in the Young's modulus and;shear modulus. The calculated properties show clear trends as a function;of d-band filling, which can be rationalized through tight-binding;theory. The results indicate that solutes to the left of rhenium in the;periodic table show a tendency to increase the intrinsic ductility;parameter, a trend that correlates with an increase of the c/a ratio;towards the ideal value associated optimal close packing. The Young's;modulus shows a trend towards increasing isotropy with alloying of;solutes X to the left of Re, while the shear modulus shows the opposite;trend but with an overall weaker dependence on solute additions. DOI:;10.1103/PhysRevB.86.224101;van de Walle, Axel/L-5676-2013;van de Walle, Axel/0000-0002-3415-1494;0;0;0;0;0;1098-0121;WOS:000311910900001;;;J;Fingerhut, Benjamin P.;Richter, Marten;Luo, Jun-Wei;Zunger, Alex;Mukamel, Shaul;Dissecting biexciton wave functions of self-assembled quantum dots by;double-quantum-coherence optical spectroscopy;PHYSICAL REVIEW B;86;23;235303;10.1103/PhysRevB.86.235303;DEC 5 2012;2012;Biexcitons feature prominently in various scenarios for utilization of;quantum dots (QDs) for enhancing the efficiencies of solar cells, and;for the generation of entangled photon pairs in single QD sources.;Two-dimensional double quantum coherence (2D-DQC) nonlinear optical;spectra provide novel spectroscopic signatures of such states beyond;global intensity and lifetime characteristics which are available by;more conventional techniques. We report the simulation of a prototype;2D-DQC optical experiment of a self-assembled InAs/GaAs dot. The;simulations consider the QD in different charged states and are based on;a state-of-the-art atomistic many-body pseudopotential method for the;calculation of the electronic structure and transition dipole matrix;elements. Comparison of the spectra of negatively charged, neutral, and;positively charged QD reveals optical signatures of their electronic;excitations. This technique directly accesses the biexciton (XX);energies as well as the projections of their wave functions on the;single-exciton manifold. These signals also provide a unique tool for;probing the charged state of the QD and thus the occupation of the;quantum state. Signatures of Pauli blockade of the creation of certain;single and two excitons due to charges on the particles are observed.;For all quantum states of the QD, the spectra reveal a strong;multiconfiguration character of the biexciton wave functions. Peak;intensities can be explained by interference of the contributing;Liouville space pathways.;Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; Richter, Marten/B-7790-2008;Richter, Marten/0000-0003-4160-1008;2;0;0;0;2;1098-0121;WOS:000311911500003;;;J;Haskins, Justin B.;Moriarty, John A.;Hood, Randolph Q.;Polymorphism and melt in high-pressure tantalum;PHYSICAL REVIEW B;86;22;224104;10.1103/PhysRevB.86.224104;DEC 5 2012;2012;Recent small-cell (<150 atom) quantum molecular dynamics (QMD);simulations for Ta based on density functional theory (DFT) have;predicted a hexagonal omega (hex-omega)phase more stable than the normal;bcc phase at high temperature (T) and pressure (P) above 70 GPa [;Burakovsky et al., Phys. Rev. Lett. 104, 255702 (2010)]. Here we examine;possible high-T, P polymorphism in Ta with complementary DFT-based model;generalized pseudopotential theory (MGPT) multi-ion interatomic;potentials, which allow accurate treatment of much larger system sizes;(up to similar to 80000 atoms). We focus on candidate bcc, A15, fcc,;hcp, and hex-omega phases for the high-T, P phase diagram to 420 GPa,;studying the mechanical and relative thermodynamic stability of these;phases for both small and large computational cells. Our MGPT potentials;fully capture the T = 0 DFT energetics of these phases, while MGPT-MD;simulations demonstrate that the higher-energy fcc, hcp, and hex-omega;structures are only mechanically stabilized at high temperature by;large, size-dependent, anharmonic vibrational effects, with the;stability of the hex-omega phase also being found to be a sensitive;function of its c/a ratio. Both two-phase and Z-method melting;techniques have been used in MGPT-MD simulations to determine relative;phase stability and its size dependence. In the large-cell limit, the;two-phase method yields accurate equilibrium melt curves for all five;phases, with bcc producing the highest melt temperatures at all;pressures and hence being the most stable phase of those considered. The;two-phase bcc melt curve is also in good agreement with dynamic;experimental data as well as with the MGPT melt curve calculated from;bcc and liquid free energies. In contrast, we find that the Z method;produces only an upper bound to the equilibrium melt curve in the;large-cell limit. For the bcc and hex-omega structures, however, this is;a close upper bound within 5% of the two-phase results, although for the;A15, fcc, and hcp structures, the Z-melt curves are 25%-35% higher in;temperature than the two-phase results. Nonetheless, the Z method has;allowed us to study melt size effects in detail. We find these effects;to be either small or modest for the cubic bcc, A15, and fcc structures,;but to have a large impact on the hexagonal hcp and hex-omega melt;curves, which are dramatically pushed above that of bcc for simulation;cells less than 150 atoms. The melt size effects are driven by and;closely correlated with similar size effects on the mechanical stability;and the vibrational anharmonicity. We further show that for the same;simulation cell sizes and choice of c/a ratio, the MGPT-MD bcc and;hex-omega melt curves are in good agreement with the QMD results, so the;QMD prediction is confirmed in the small-cell limit. But in the;large-cell limit, the MGPT-MD hex-omega melt curve is always lowered;below that of bcc for any choice of c/a, so bcc is the most stable;phase. We conclude that for the non-bcc Ta phases studied, one requires;simulation cells of at least 250-500 atoms to be free of size effects;impacting mechanical and thermodynamic phase stability. DOI:;10.1103/PhysRevB.86.224104;8;0;0;0;8;1098-0121;WOS:000311910900004;;;J;Iwazaki, Yoshiki;Suzuki, Toshimasa;Mizuno, Youichi;Tsuneyuki, Shinji;Doping-induced phase transitions in ferroelectric BaTiO3 from;first-principles calculations;PHYSICAL REVIEW B;86;21;214103;10.1103/PhysRevB.86.214103;DEC 5 2012;2012;Carrier-electron-induced phase transition from tetragonal to cubic;phases in BaTiO3 is studied using first-principles calculation. Our;results show that the disappearance of the ferroelectric phase is an;intrinsic effect resulting from carrier electron doping in BaTiO3. We;further clarify that the lattice disorder induced by donor dopants such;as oxygen vacancies and substitutionally doped Nb5+ at Ti4+ sites;accelerates the disappearance of the tetragonal phase in BaTiO3.;7;0;0;0;7;1098-0121;WOS:000311910400001;;;J;Koshelev, A. E.;Phase diagram of Josephson junction between s and s(+/-) superconductors;in the dirty limit;PHYSICAL REVIEW B;86;21;214502;10.1103/PhysRevB.86.214502;DEC 5 2012;2012;The s(+/-) state in which the order parameter has different signs in;different bands is a leading candidate for the superconducting state in;the iron-based superconductors. We investigate a Josephson junction;between s and s(+/-) superconductors within microscopic theory.;Frustration, caused by interaction of the s-wave gap parameter with the;opposite-sign gaps of the s(+/-) superconductor, leads to nontrivial;phase diagram. When the partial Josephson coupling energy between the;s-wave superconductor and one of the s(+/-) bands dominates, s-wave gap;parameter aligns with the order parameter in this band. In this case,;the partial Josephson energies have different signs corresponding to;signs of the gap parameters. In the case of strong frustration,;corresponding to almost complete compensation of the total Josephson;energy, a nontrivial time-reversal-symmetry breaking (TRSB) state;realizes. In this state, all gap parameters become essentially complex.;As a consequence, this state provides realization for so-called;phi-junction with finite phase difference in the ground state. The width;of the TRSB state region is determined by the second harmonic in;Josephson current, proportional to sin(2 phi f), which appears in the;second order with respect to the boundary transparency. Using the;microscopic theory, we establish a range of parameters where different;states are realized. Our analysis shows insufficiency of the simple;phenomenological approach for treatment of this problem.;Koshelev, Alexei/K-3971-2013;Koshelev, Alexei/0000-0002-1167-5906;3;0;0;0;3;1098-0121;WOS:000311910400004;;;J;Krueger, Peter;Koutiri, Issam;Bourgeois, Sylvie;First-principles study of hexagonal tungsten trioxide: Nature of lattice;distortions and effect of potassium doping;PHYSICAL REVIEW B;86;22;224102;10.1103/PhysRevB.86.224102;DEC 5 2012;2012;A density functional theory study is reported on pure and potassium;doped tungsten trioxide. The nature of lattice distortions in the;hexagonal phase is analyzed and a new symmetry group is proposed. The;structure and stability of cubic, monoclinic, and hexagonal phases is;studied as a function of potassium doping and an approximate phase;diagram is derived. KxWO3 undergoes a monoclinic to hexagonal phase;transition at x similar to 3%. DOI: 10.1103/PhysRevB.86.224102;1;0;0;0;1;1098-0121;WOS:000311910900002;;;J;Landsgesell, S.;Abou-Ras, D.;Alber, D.;Prokes, K.;Wolf, T.;Direct evidence of chemical and crystallographic phase separation in;K0.65Fe1.74Se2;PHYSICAL REVIEW B;86;22;224502;10.1103/PhysRevB.86.224502;DEC 5 2012;2012;In the present work, we report on a chemical phase separation in;crystalline superconducting K0.65Fe1.74Se2, investigated by means of;magnetization experiments, scanning electron microscopy, electron;backscatter diffraction, and energy-dispersive x-ray spectrometry. It is;shown that the crystal consists of platelets oriented in < 100 > with an;approximated volume fraction of about 30% in the surrounding < 001 >;oriented matrix. The platelets (the matrix) are depleted in K (Fe) and;enriched in Fe (K). Chemical phase separation is demonstrated by a;stable, antiferromagnetic K0.8Fe1.6Se2 matrix, and KxFe2-y Se-2;platelets inducing superconductivity. This time-driven, chemical phase;separation is therefore responsible for various coexistent magnetic and;electrical properties measured in KxFeySe2 samples. DOI:;10.1103/PhysRevB.86.224502;Landsgesell, Sven/B-1467-2013; Prokes, Karel/J-5438-2013;Landsgesell, Sven/0000-0002-2469-3548; Prokes, Karel/0000-0002-7034-1738;10;0;0;0;10;1098-0121;WOS:000311910900005;;;J;Liu, Wei;Carrasco, Javier;Santra, Biswajit;Michaelides, Angelos;Scheffler, Matthias;Tkatchenko, Alexandre;Benzene adsorbed on metals: Concerted effect of covalency and van der;Waals bonding;PHYSICAL REVIEW B;86;24;245405;10.1103/PhysRevB.86.245405;DEC 5 2012;2012;The adsorption of aromatic molecules on metal surfaces plays a key role;in condensed matter physics and functional materials. Depending on the;strength of the interaction between the molecule and the surface, the;binding is typically classified as either physisorption or;chemisorption. Van der Waals (vdW) interactions contribute significantly;to the binding in physisorbed systems, but the role of the vdW energy in;chemisorbed systems remains unclear. Here we study the interaction of;benzene with the (111) surface of transition metals, ranging from weak;adsorption (Ag and Au) to strong adsorption (Pt, Pd, Ir, and Rh). When;vdW interactions are accurately accounted for, the barrier to adsorption;predicted by standard density-functional theory (DFT) calculations;essentially vanishes, producing a metastable precursor state on Pt and;Ir surfaces. Notably, vdW forces contribute more to the binding of;covalently bonded benzene than they do when benzene is physisorbed.;Comparison to experimental data demonstrates that some of the recently;developed methods for including vdW interactions in DFT allow;quantitative treatment of both weakly and strongly adsorbed aromatic;molecules on metal surfaces, extending the already excellent performance;found for molecules in the gas phase.;Michaelides, Angelos/K-8727-2012; Santra, Biswajit/C-4818-2008; Tkatchenko, Alexandre/E-7148-2011;Santra, Biswajit/0000-0003-3609-2106; Tkatchenko,;Alexandre/0000-0002-1012-4854;52;2;0;0;52;1098-0121;WOS:000311912300005;;;J;Ou, Xin;Koegler, Reinhard;Zhou, Hong-Bo;Anwand, Wolfgang;Grenzer, Joerg;Huebner, Rene;Voelskow, Matthias;Butterling, Maik;Zhou, Shengqiang;Skorupa, Wolfgang;Release of helium from vacancy defects in yttria-stabilized zirconia;under irradiation;PHYSICAL REVIEW B;86;22;224103;10.1103/PhysRevB.86.224103;DEC 5 2012;2012;Fission gas retention or release has a critical impact on the function;of advanced nuclear materials. Helium trapping in, and release from,;radiation defects induced by neutrons and by a decay in YSZ;(yttria-stabilized zirconia) is experimentally simulated using;synchronized Zr+ and He+ dual ion beam irradiation. The measured damage;profiles consist of two peaks which agree well with the calculated;profiles of implantation induced excess point defects. This special;implantation related effect has to be carefully considered in the;evaluation of experimental investigations which simulate isotropic;irradiation effects such as a decay. First-principles calculations show;that helium is energetically favorable to be trapped by Zr vacancies in;YSZ. Implanted helium alone in YSZ is accumulated in undesirable helium;bubbles and results in local surface swelling and lift-off. However,;under dual beam irradiation helium is released from vacancy defects and;is out-diffused at room temperature. Helium is mobilized by a;vacancy-assisted trapping/detrapping mechanism induced by the;simultaneous Zr+ ion implantation. This behavior avoids the deleterious;helium bubble formation and contributes to the suitable application;characteristics of YSZ which result in its excellent radiation hardness.;DOI: 10.1103/PhysRevB.86.224103;Zhou, Shengqiang/C-1497-2009;Zhou, Shengqiang/0000-0002-4885-799X;3;0;2;0;3;1098-0121;WOS:000311910900003;;;J;Pauly, C.;Bihlmayer, G.;Liebmann, M.;Grob, M.;Georgi, A.;Subramaniam, D.;Scholz, M. R.;Sanchez-Barriga, J.;Varykhalov, A.;Bluegel, S.;Rader, O.;Morgenstern, M.;Probing two topological surface bands of Sb2Te3 by spin-polarized;photoemission spectroscopy;PHYSICAL REVIEW B;86;23;235106;10.1103/PhysRevB.86.235106;DEC 5 2012;2012;Using high-resolution spin-and angle-resolved photoemission;spectroscopy, we map the electronic structure and spin texture of the;surface states of the topological insulator Sb2Te3. In combination with;density functional calculations (DFT), we directly show that Sb2Te3;exhibits a partially occupied, single spin-Dirac cone around the Fermi;energy E-F, which is topologically protected. DFT obtains a spin;polarization of the occupied Dirac cone states of 80-90%, which is in;reasonable agreement with the experimental data after careful background;subtraction. Furthermore, we observe a strongly spin-orbit split surface;band at lower energy. This state is found at E - E-F similar or equal to;-0.8 eV at the (Gamma) over bar point, disperses upward, and disappears;at about E - E-F = -0.4 eV into two different bulk bands. Along the;(Gamma) over bar-(K) over bar direction, the band is located within a;spin-orbit gap. According to an argument given by Pendry and Gurman in;1975, such a gap must contain a surface state, if it is located away;from the high-symmetry points of the Brillouin zone. Thus, the novel;spin-split state is protected by symmetry, too.;Bihlmayer, Gustav/G-5279-2013; Rader, Oliver/H-8498-2013; Sanchez-Barriga, Jaime/I-3493-2013; Varykhalov, Andrei/I-3571-2013; Blugel, Stefan/J-8323-2013; Liebmann, Marcus/G-6254-2012; Morgenstern, Markus/K-7785-2013;Bihlmayer, Gustav/0000-0002-6615-1122; Rader,;Oliver/0000-0003-3639-0971; Sanchez-Barriga, Jaime/0000-0001-9947-6700;;Varykhalov, Andrei/0000-0002-7901-3562; Blugel,;Stefan/0000-0001-9987-4733; Liebmann, Marcus/0000-0003-4787-0129;;Morgenstern, Markus/0000-0002-3993-6880;15;0;0;0;15;1098-0121;WOS:000311911500002;;;J;Silveirinha, Mario G.;Engheta, Nader;Metamaterial-inspired model for electron waves in bulk semiconductors;PHYSICAL REVIEW B;86;24;245302;10.1103/PhysRevB.86.245302;DEC 5 2012;2012;Based on an analogy with electromagnetic metamaterials, we develop an;effective medium description for the propagation of electron matter;waves in bulk semiconductors with a zinc-blende structure. It is;formally demonstrated that even though departing from a different;starting point, our theory gives results for the energy stationary;states consistent with Bastard's envelope-function approximation in the;long-wavelength limit. Using the proposed approach, we discuss the time;evolution of a wave packet in a bulk semiconductor with a zero-gap and;linear energy-momentum dispersion.;4;0;0;0;4;1098-0121;WOS:000311912300004;;;J;Valla, T.;Ji, Huiwen;Schoop, L. M.;Weber, A. P.;Pan, Z. -H.;Sadowski, J. T.;Vescovo, E.;Fedorov, A. V.;Caruso, A. N.;Gibson, Q. D.;Muechler, L.;Felser, C.;Cava, R. J.;Topological semimetal in a Bi-Bi2Se3 infinitely adaptive superlattice;phase;PHYSICAL REVIEW B;86;24;241101;10.1103/PhysRevB.86.241101;DEC 5 2012;2012;We report spin-and angle-resolved photoemission studies of a topological;semimetal from the infinitely adaptive series between elemental Bi and;Bi2Se3. The compound, based on Bi4Se3, is a 1:1 natural superlattice of;alternating Bi-2 layers and Bi2Se3 layers; the inclusion of S allows the;growth of large crystals, with the formula Bi4Se2.6S0.4. The crystals;cleave along the interfaces between the Bi-2 and Bi2Se3 layers, with the;surfaces obtained having alternating Bi or Se termination. The resulting;terraces, observed by photoemission electron microscopy, create avenues;suitable for the study of one-dimensional topological physics. The;electronic structure, determined by spin-and angle-resolved;photoemission spectroscopy, shows the existence of a surface state that;forms a large, hexagonally shaped Fermi surface around the Gamma point;of the surface Brillouin zone, with the spin structure indicating that;this material is a topological semimetal.;Felser, Claudia/A-5779-2009; Schoop, Leslie/A-4627-2013; Muchler, Lukas/A-4628-2013; Ji, Huiwen/O-5145-2014;Schoop, Leslie/0000-0003-3459-4241;;15;2;0;0;15;1098-0121;WOS:000311912300001;;;J;Witczak-Krempa, William;Ghaemi, Pouyan;Senthil, T.;Kim, Yong Baek;Universal transport near a quantum critical Mott transition in two;dimensions;PHYSICAL REVIEW B;86;24;245102;10.1103/PhysRevB.86.245102;DEC 5 2012;2012;We discuss the universal-transport signatures near a zero-temperature;continuous Mott transition between a Fermi liquid and a quantum spin;liquid in two spatial dimensions. The correlation-driven transition;occurs at fixed filling and involves fractionalization of the electron:;upon entering the spin liquid, a Fermi surface of neutral spinons;coupled to an internal gauge field emerges. We present a controlled;calculation of the value of the zero-temperature universal resistivity;jump predicted to occur at the transition. More generally, the behavior;of the universal scaling function that collapses the temperature-and;pressure-dependent resistivity is derived, and is shown to bear a strong;imprint of the emergent gauge fluctuations. We further predict a;universal jump of the thermal conductivity across the Mott transition,;which derives from the breaking of conformal invariance by the damped;gauge field, and leads to a violation of the Wiedemann-Franz law in the;quantum critical region. A connection to the quasitriangular organic;salts is made, where such a transition might occur. Finally, we present;some transport results for the pure rotor O(N) conformal field theory.;10;0;0;0;10;1098-0121;WOS:000311912300003;;;J;Apostolov, Stanislav;Levchenko, Alex;Josephson current and density of states in proximity circuits with;s(+)-superconductors;PHYSICAL REVIEW B;86;22;224501;10.1103/PhysRevB.86.224501;DEC 4 2012;2012;We study the emergent proximity effect in mesoscopic circuits that;involve a conventional superconductor and an unconventional pnictide;superconductor separated by a diffusive normal or ferromagnetic wire.;The focus is placed on revealing signatures of the proposed s(+)-state;of pnictides from the proximity-induced density of states and Josephson;current. We find analytically a universal result for the density of;states that exhibits both the Thouless gap at low energies and peculiar;features near the superconducting gap edges at higher energies. The;latter may be used to discriminate between s(+)- and s(++) symmetry;scenarios in scanning tunneling spectroscopy experiments. We also;calculate Josephson current-phase relationships for different junction;configurations, which are found to display robust 0-pi transitions for a;wide range of parameters.;3;0;0;0;3;1098-0121;WOS:000311910600005;;;J;Balci, Sinan;Kocabas, Coskun;Ates, Simge;Karademir, Ertugrul;Salihoglu, Omer;Aydinli, Atilla;Tuning surface plasmon-exciton coupling via thickness dependent plasmon;damping;PHYSICAL REVIEW B;86;23;235402;10.1103/PhysRevB.86.235402;DEC 4 2012;2012;In this paper, we report experimental and theoretical investigations on;tuning of the surface plasmon-exciton coupling by controlling the;plasmonic mode damping, which is defined by the plasmonic layer;thickness. The results reveal the formation of plasmon-exciton hybrid;state characterized by a tunable Rabi splitting with energies ranging;from 0 to 150 meV. Polarization-dependent spectroscopic reflection;measurements were employed to probe the dispersion of the coupled;system. The transfer matrix method and analytical calculations were used;to model the self-assembled J-aggregate/metal multilayer structures in;excellent agreement with experimental observations.;Kocabas, Coskun/C-6018-2013;6;0;0;0;6;1098-0121;WOS:000311911100002;;;J;Belashchenko, K. D.;Glasbrenner, J. K.;Wysocki, A. L.;Spin injection from a half-metal at finite temperatures;PHYSICAL REVIEW B;86;22;224402;10.1103/PhysRevB.86.224402;DEC 4 2012;2012;Spin injection from a half-metallic electrode in the presence of thermal;spin disorder is analyzed using a combination of random matrix theory,;spin-diffusion theory, and explicit simulations for the tight-binding;s-d model. It is shown that efficient spin injection from a half-metal;is possible as long as the effective resistance of the normal metal does;not exceed a characteristic value, which does not depend on the;resistance of the half-metallic electrode but, rather, is controlled by;spin-flip scattering at the interface. This condition can be formulated;as alpha less than or similar to l/l(sf)(N) T-c(-1) where a is the;relative deviation of the magnetization from saturation, l and l(sf)(N);are the mean-free path and the spin-diffusion length in the nonmagnetic;channel, and T-c is the transparency of the tunnel barrier at the;interface (if present). The general conclusions are confirmed by;tight-binding s-d model calculations. A rough estimate suggests that;efficient spin injection from true half-metallic ferromagnets into;silicon or copper may be possible at room temperature across a;transparent interface.;Wysocki, Aleksander/D-6928-2013;1;0;0;0;1;1098-0121;WOS:000311910600003;;;J;Bessas, D.;Sergueev, I.;Wille, H. -C.;Persson, J.;Ebling, D.;Hermann, R. P.;Lattice dynamics in Bi2Te3 and Sb2Te3: Te and Sb density of phonon;states;PHYSICAL REVIEW B;86;22;224301;10.1103/PhysRevB.86.224301;DEC 4 2012;2012;The lattice dynamics in Bi2Te3 and Sb2Te3 were investigated both;microscopically and macroscopically using Sb-121 and Te-125 nuclear;inelastic scattering, x-ray diffraction, and heat capacity measurements.;In combination with earlier inelastic neutron scattering data, the;element-specific density of phonon states was obtained for both;compounds and phonon polarization analysis was carried out for Bi2Te3. A;prominent peak in the Te specific density of phonon states at 13 meV,;that involves mainly in-plane vibrations, is mostly unaffected upon;substitution of Sb with Bi revealing vibrations with essentially Te;character. A significant softening is observed for the density of;vibrational states of Bi with respect to Sb, consistently with the mass;homology relation in the long-wavelength limit. In order to explain the;energy mismatch in the optical phonon region, a similar to 20% force;constant softening of the Sb-Te bond with respect to the Bi-Te bond is;required. The reduced average speed of sound at 20 K in Bi2Te3, 1.75(1);km/s, compared to Sb2Te3, 1.85(4) km/s, is not only related to the;larger mass density but also to a larger Debye level. The observed low;lattice thermal conductivity at 295 K, 2.4 Wm(-1)K(-1) for Sb2Te3 and;1.6 Wm(-1)K(-1) for Bi2Te3, cannot be explained by anharmonicity alone;given the rather modest Gruneisen parameters, 1.7(1) for Sb2Te3 and;1.5(1) for Bi2Te3, without accounting for the reduced speed of sound and;more importantly the low acoustic cutoff energy.;Wille, Hans-Christian/C-3881-2013; Hermann, Raphael/F-6257-2013; Bessas, Dimitrios/I-5262-2013;Hermann, Raphael/0000-0002-6138-5624; Bessas,;Dimitrios/0000-0003-0240-2540;5;0;1;0;5;1098-0121;WOS:000311910600002;;;J;de Resseguier, T.;Lescoute, E.;Loison, D.;Influence of elevated temperature on the wave propagation and spallation;in laser shock-loaded iron;PHYSICAL REVIEW B;86;21;214102;10.1103/PhysRevB.86.214102;DEC 4 2012;2012;Laser shock experiments have been performed on preheated iron samples to;address the role of initial temperature on the elastic limit, wave;propagation, and spall fracture in this metal over the temperature range;300-1000 K at very high expansion rates of the order of 3 x 10(6) s(-1).;Time-resolved measurements of the free-surface velocity indicate a;slight, roughly linear decrease of the spall strength with increasing;temperature, accompanied by a clear change from brittle to ductile;fracture behavior evidenced from post-shot examination of the recovered;samples. The results are discussed on the basis of simulations;accounting for laser-matter interaction, pressure wave propagation, and;subsequent polymorphic transformations throughout the sample thickness.;Over the explored range of loading conditions, the occurrence of such;transformations prior to spallation, which takes place near the;free-surface under tensile loading after reversion to the alpha phase,;does not seem to strongly affect dynamic fracture.;loison, didier/N-2122-2014;3;0;0;0;3;1098-0121;WOS:000311910100001;;;J;Ellis, David S.;Uchiyama, Hiroshi;Tsutsui, Satoshi;Sugimoto, Kunihisa;Kato, Kenichi;Ishikawa, Daisuke;Baron, Alfred Q. R.;Phonon softening and dispersion in EuTiO3;PHYSICAL REVIEW B;86;22;220301;10.1103/PhysRevB.86.220301;DEC 4 2012;2012;We measured phonon dispersion in single-crystal EuTiO3 using inelastic;x-ray scattering. Astructural transition to an antiferrodistortive phase;was found at a critical temperature T-0 = 287 +/- 1K using powder and;single-crystal x-ray diffraction. Clear softening of the zone boundary;R-point q = (0.5 0.5 0.5) acoustic phonon shows this to be a displacive;transition. The mode energy plotted against reduced temperature could be;seen to nearly overlap that of SrTiO3, suggesting a universal scaling;relation. Phonon dispersion was measured along Gamma-X (0 0 0) -> (0.5 0;0). Mode eigenvectors were obtained from a shell model consistent with;the q dependence of intensity and energy, which also showed that the;dispersion is nominally the same as in SrTiO3 at room temperature, but;corrected for mass. The lowest-energy optical mode, determined to be of;Slater character, softens approximately linearly with temperature until;the 70-100 K range where the softening stops, and at low temperature,;the mode disperses linearly near the zone center.;7;0;0;0;7;1098-0121;WOS:000311910600001;;;J;Fock, J.;Leijnse, M.;Jennum, K.;Zyazin, A. S.;Paaske, J.;Hedegard, P.;Nielsen, M. Brondsted;van der Zant, H. S. J.;Manipulation of organic polyradicals in a single-molecule transistor;PHYSICAL REVIEW B;86;23;235403;10.1103/PhysRevB.86.235403;DEC 4 2012;2012;Inspired by cotunneling spectroscopy of spin-states in a single;OPE5-based molecule, we investigate the prospects for electric control;of magnetism in purely organic molecules contacted in a three-terminal;geometry. Using the gate electrode, the molecule is reversibly switched;between three different redox states, with magnetic spectra revealing;both ferromagnetic and antiferromagnetic exchange couplings on the;molecule. These observations are shown to be captured by an effective;low-energy Heisenberg model, which we substantiate microscopically by a;simple valence bond description of the molecule. These preliminary;findings suggest an interesting route towards functionalized all-organic;molecular magnetism.;Fock, Jeppe/A-9074-2011;Fock, Jeppe/0000-0002-7515-4026;3;0;0;0;3;1098-0121;WOS:000311911100003;;;J;Li, P. H. Y.;Bishop, R. F.;Campbell, C. E.;Farnell, D. J. J.;Goetze, O.;Richter, J.;Spin-1/2 Heisenberg antiferromagnet on an anisotropic kagome lattice;PHYSICAL REVIEW B;86;21;214403;10.1103/PhysRevB.86.214403;DEC 4 2012;2012;We use the coupled-cluster method to study the zero-temperature;properties of an extended two-dimensional Heisenberg antiferromagnet;formed from spin-1/2 moments on an infinite spatially anisotropic kagome;lattice of corner-sharing isosceles triangles, with nearest-neighbor;bonds only. The bonds have exchange constants J(1) > 0 along two of the;three lattice directions and J(2) = kappa J(1) > 0 along the third. In;the classical limit, the ground-state (GS) phase for kappa < 1/2 has;collinear ferrimagnetic (Neel') order where the J(2)-coupled chain spins;are ferromagnetically ordered in one direction with the remaining spins;aligned in the opposite direction, while for kappa > 1/2 there exists an;infinite GS family of canted ferrimagnetic spin states, which are;energetically degenerate. For the spin-1/2 case, we find that quantum;analogs of both these classical states continue to exist as stable GS;phases in some regions of the anisotropy parameter kappa, namely, for 0;< kappa < kappa(c1) for the Neel' state and for (at least part of) the;region kappa > kappa(c2) for the canted phase. However, they are now;separated by a paramagnetic phase without either sort of magnetic order;in the region kappa(c1) < kappa < kappa(c2), which includes the;isotropic kagome point kappa = 1 where the stable GS phase is now;believed to be a topological (Z(2)) spin liquid. Our best numerical;estimates are kappa(c1) = 0.515 +/- 0.015 and kappa(c2) = 1.82 +/- 0.03.;Richter, Johannes/A-6339-2009; Bishop, Raymond/D-9715-2012;Bishop, Raymond/0000-0001-5565-0658;4;0;0;0;4;1098-0121;WOS:000311910100002;;;J;Monozon, B. S.;Schmelcher, P.;Bound and resonant impurity states in a narrow gapped armchair graphene;nanoribbon;PHYSICAL REVIEW B;86;24;245404;10.1103/PhysRevB.86.245404;DEC 4 2012;2012;An analytical study of discrete and resonant impurity quasi-Coulomb;states in a narrow gapped armchair graphene nanoribbon (GNR) is;performed. We employ the adiabatic approximation assuming that the;motions parallel ("slow") and perpendicular ("fast") to the boundaries;of the ribbon are separated adiabatically. The energy spectrum comprises;a sequence of series of quasi-Rydberg levels relevant to the slow motion;adjacent from the low energies to the size-quantized levels associated;with the fast motion. Only the series attributed to the ground;size-quantized subband is really discrete, while others corresponding to;the excited subbands consist of quasidiscrete (Fano resonant) levels of;nonzero energetic widths, caused by the coupling with the states of the;continuous spectrum branching from the low lying subbands. In the;two-and three-subband approximation the spectrum of the complex energies;of the impurity electron is derived in an explicit form. Narrowing the;GNR leads to an increase of the binding energy and the resonant width;both induced by the finite width of the ribbon. Displacing the impurity;center from the midpoint of the GNR causes the binding energy to;decrease, while the resonant width of the first excited Rydberg series;increases. As for the second excited series, their widths become;narrower with the shift of the impurity. A successful comparison of our;analytical results with those obtained by other theoretical and;experimental methods is presented. Estimates of the binding energies and;the resonant widths taken for the parameters of typical GNRs show that;not only the strictly discrete but also some resonant states are quite;stable and could be studied experimentally in doped GNRs.;Monozon, Boris/E-6412-2012; Schmelcher, Peter/D-9592-2014;Schmelcher, Peter/0000-0002-2637-0937;0;0;0;0;0;1098-0121;WOS:000311911900002;;;J;Thiaville, Andre;Vukadinovic, Nicolas;Acher, Olivier;Sum rule for the magnetic permeability of arbitrary textures;PHYSICAL REVIEW B;86;21;214404;10.1103/PhysRevB.86.214404;DEC 4 2012;2012;The f-sum rule for the magnetic permeability, derived previously for an;assembly of isolated macrospins, is generalized for an arbitrary;nonuniform three-dimensional magnetization texture, in which the;magnetizations at different points are coupled by exchange and;magnetostatic interactions. The sum value depends only on the magnetic;texture at rest. It has no direct contribution from the exchange energy,;but depends on the anisotropy, applied field, and demagnetizing;energies. The derived formula is tested against numerical calculations;for several complex and very different magnetization structures. This;generalized sum rule should be useful for experiments, numerical;simulations, and metrology.;1;0;0;0;1;1098-0121;WOS:000311910100003;;;J;Troc, R.;Gajek, Z.;Pikul, A.;Dualism of the 5f electrons of the ferromagnetic superconductor UGe2 as;seen in magnetic, transport, and specific-heat data;PHYSICAL REVIEW B;86;22;224403;10.1103/PhysRevB.86.224403;DEC 4 2012;2012;Single-crystalline UGe2 was investigated by means of magnetic;susceptibility, magnetization, electrical resistivity,;magnetoresistivity, and specific-heat measurements, all carried out in;wide temperature and magnetic-field ranges. An analysis of the obtained;data points out the dual behavior of the 5f electrons in this compound,;i. e., possessing simultaneously local and itinerant characters in two;substates. The magnetic and thermal characteristics of the compound were;modeled using the effective crystal field (CF) in the intermediate;coupling scheme and initial parameters obtained in the angular overlap;model. Various configurations of the localized 5f(n) (n = 1, 2, and 3);electrons on the uranium ion have been probed. The best results were;obtained for the 5f(2) (U4+) configuration. The CF parameters obtained;in the paramagnetic region allowed us to reproduce satisfactorily the;experimental findings in the whole temperature range including also the;magnitude of the ordered magnetic moment of uranium at low temperature.;The electrical resistivity data after subtraction of the phonon;contribution reveal the presence of a Kondo-like interaction in UGe2;supporting the idea of partial localization of the 5f electrons in UGe2.;On the other hand, magnetoresistivity and an excess of specific heat;originated from the hybridized (itinerant) part of 5f states, apparent;around the characteristic temperature T*, give a distinct signature for;the presence of the coupled charge-density wave and spin-density wave;fluctuations over all the ferromagnetic region with a maximum at T*,;postulated earlier in the literature.;7;0;0;0;7;1098-0121;WOS:000311910600004;;;J;Williams, T. J.;Yamani, Z.;Butch, N. P.;Luke, G. M.;Maple, M. B.;Buyers, W. J. L.;Neutron scattering study of URu2-xRexSi2 (x=0.10): Driving order towards;quantum criticality;PHYSICAL REVIEW B;86;23;235104;10.1103/PhysRevB.86.235104;DEC 4 2012;2012;We report inelastic neutron scattering measurements in the hidden order;state of URu2-xRexSi2 with x = 0.10. We observe that towards the;ferromagnetic quantum critical point induced by the negative chemical;pressure of Re doping, the gapped incommensurate fluctuations are robust;and comparable in intensity to the parent material. As the Re doping;moves the system toward the quantum critical point, the commensurate;spin fluctuations related to hidden order weaken, display a shortened;lifetime, and slow down. Halfway to the quantum critical point, the;hidden order phase survives, albeit weakened, in contrast to its;destruction by hydrostatic pressure and by positive chemical pressure;from Rh doping.;yamani, zahra/B-7892-2012; Luke, Graeme/A-9094-2010;0;0;0;0;0;1098-0121;WOS:000311911100001;;;J;Wolfowicz, Gary;Simmons, Stephanie;Tyryshkin, Alexei M.;George, Richard E.;Riemann, Helge;Abrosimov, Nikolai V.;Becker, Peter;Pohl, Hans-Joachim;Lyon, Stephen A.;Thewalt, Mike L. W.;Morton, John J. L.;Decoherence mechanisms of Bi-209 donor electron spins in isotopically;pure Si-28;PHYSICAL REVIEW B;86;24;245301;10.1103/PhysRevB.86.245301;DEC 4 2012;2012;Bismuth (Bi-209) is the deepest group V donor in silicon and possesses;the most extreme characteristics such as a 9/2 nuclear spin and a 1.5;GHz hyperfine coupling. These lead to several potential advantages for a;Si:Bi donor electron spin qubit compared to the more common phosphorus;donor. Most previous studies on Si: Bi have been performed using natural;silicon where linewidths and electron spin coherence times are limited;by the presence of Si-29 impurities. Here, we describe electron spin;resonance (ESR) and electron nuclear double resonance (ENDOR) studies on;Bi-209 in isotopically pure Si-28. ESR and ENDOR linewidths, transition;probabilities, and coherence times are understood in terms of the spin;Hamiltonian parameters showing a dependence on field and m(I) of the;Bi-209 nuclear spin. We explore various decoherence mechanisms;applicable to the donor electron spin, measuring coherence times up to;700 ms at 1.7 K at X band, comparable with Si-28:P. Importantly, the;coherence times we measure follow closely to the calculated field;gradients of the transition frequencies (df/dB), providing a strong;motivation to explore "clock" transitions where coherence lifetimes;could be further enhanced.;Morton, John/I-3515-2013;6;1;0;0;6;1098-0121;WOS:000311911900001;;;J;Armbruster, Oskar;Lungenschmied, Christoph;Bauer, Siegfried;Investigation of trap states and mobility in organic semiconductor;devices by dielectric spectroscopy: Oxygen-doped P3HT:PCBM solar cells;PHYSICAL REVIEW B;86;23;235201;10.1103/PhysRevB.86.235201;DEC 3 2012;2012;We investigate the dielectric response of solar cell devices based on;oxygen-doped poly(3-hexylthiophene):[6,6]-phenyl-C-61-butyric acid;methyl ester (P3HT:PCBM) blends as a function of temperature between 133;K and 303 K. The spectra are analyzed using a recently introduced model;[O. Armbruster, C. Lungenschmied, and S. Bauer, Phys. Rev. B 84, 085208;(2011)] which is based on a trapping and reemission mechanism of charge;carriers. A dominating trap depth of 130 meV is determined and the;broadening of this trap level identified as purely thermal. In addition;we estimate the density of charge carriers after doping as well as their;mobility. We show that the concentration of mobile holes approximately;doubles by heating the device from the lowest to the highest measured;temperature. This is indicative of a second, shallow trap level of;approximately 14 meV. Dielectric spectroscopy hence proves to be a;valuable tool to assess device parameters such as dopant concentration,;charge carrier transport characteristics, and mobility which are of;crucial interest for understanding degradation in organic semiconductor;devices.;Bauer, Siegfried/A-2354-2009; Armbruster, Oskar/G-1154-2014;Armbruster, Oskar/0000-0002-4235-4451;3;0;0;0;3;1098-0121;WOS:000311806300004;;;J;Chen, Bo;Abbey, Brian;Dilanian, Ruben;Balaur, Eugeniu;van Riessen, Grant;Junker, Mark;Tran, Chanh Q.;Jones, Michael W. M.;Peele, Andrew G.;McNulty, Ian;Vine, David J.;Putkunz, Corey T.;Quiney, Harry M.;Nugent, Keith A.;Diffraction imaging: The limits of partial coherence;PHYSICAL REVIEW B;86;23;235401;10.1103/PhysRevB.86.235401;DEC 3 2012;2012;Coherent diffraction imaging (CDI) typically requires that the source;should be highly coherent both laterally and longitudinally. In this;paper, we demonstrate that lateral and longitudinal partial coherence;can be successfully included in a CDI reconstruction algorithm;simultaneously using experimental x-ray data. We study the interplay;between lateral partial coherence and longitudinal partial coherence and;their relative influence on CDI. We compare our results against the;coherence criteria published by Spence et al. [Spence et al.,;Ultramicroscopy 101, 149 (2004)] and show that for iterative ab initio;phase-recovery algorithms based on those typically used in CDI and in;cases where the coherence properties are known, we are able to relax the;minimal coherence requirements by a factor of 2 both laterally and;longitudinally, potentially yielding significant reduction in exposure;time.;Jones, Michael/M-6895-2013; Abbey, Brian/D-3274-2011;Jones, Michael/0000-0002-0720-8715;;5;1;0;0;5;1098-0121;WOS:000311806300008;;;J;Gawarecki, Krzysztof;Lueker, Sebastian;Reiter, Doris E.;Kuhn, Tilmann;Glaessl, Martin;Axt, Vollrath Martin;Grodecka-Grad, Anna;Machnikowski, Pawel;Dephasing in the adiabatic rapid passage in quantum dots: Role of;phonon-assisted biexciton generation;PHYSICAL REVIEW B;86;23;235301;10.1103/PhysRevB.86.235301;DEC 3 2012;2012;We study the evolution of an exciton confined in a quantum dot;adiabatically controlled by a frequency-swept (chirped) laser pulse in;the presence of carrier-phonon coupling. We focus on the dynamics;induced by a linearly polarized beam and analyze the decoherence due to;phonon-assisted biexciton generation. We show that if the biexciton;state is shifted down by a few meV, as is typically the case, then the;resulting decoherence is strong even at low temperatures. As a result,;efficient state preparation is restricted to a small parameter area;corresponding to low temperatures, positive chirps, and moderate pulse;areas.;Kuhn, Tilmann/C-1190-2008;6;0;0;0;6;1098-0121;WOS:000311806300006;;;J;Hellstrom, Matti;Spangberg, Daniel;Hermansson, Kersti;Broqvist, Peter;Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface;PHYSICAL REVIEW B;86;23;235302;10.1103/PhysRevB.86.235302;DEC 3 2012;2012;The formation of Cu dimers on the ZnO(10 (1) over bar0) surface has been;studied using hybrid density functional theory. Depending on the;adsorption site, Cu atoms are found to adsorb with either oxidation;state 0 or +1. In the latter case, the Cu atom has donated an electron;to the ZnO conduction band. The two modes of adsorption display similar;stability at low coverages, while at higher coverages the neutral;species is more stable. Single Cu atoms diffuse across the ZnO(10 (1);over bar0) surface with small barriers of migration (0.3-0.4 eV) along;ZnO[1 (2) over bar 10], repeatedly switching their oxidation states,;while the barrier along ZnO[0001] is significantly higher (>1.5 eV). The;formation of a Cu dimer from two adsorbed Cu atoms is energetically;favorable with two competing structures of similar stability, both being;charge neutral. The minimum energy paths for Cu atom diffusion and dimer;formation are characterized by at least one of the two Cu atoms being in;oxidation state 0.;5;0;0;0;5;1098-0121;WOS:000311806300007;;;J;Huang, Yu-Kun;Chen, Pochung;Kao, Ying-Jer;Accurate computation of low-temperature thermodynamics for quantum spin;chains;PHYSICAL REVIEW B;86;23;235102;10.1103/PhysRevB.86.235102;DEC 3 2012;2012;We apply the biorthonormal transfer-matrix renormalization group (BTMRG);[Huang, Phys. Rev. E 83, 036702 (2011)] to study low-temperature;properties of quantum spin chains. Simulations on anisotropic Heisenberg;spin-1/2 chains demonstrate that the BTMRG outperforms the conventional;transfer-matrix renormalization group by successfully accessing far;lower temperature than previously reported, while retaining the same;level of accuracy. The power of the method is further illustrated by the;calculation of the low-temperature specific heat for a frustrated spin;chain.;Kao, Ying Jer/B-5297-2009; Chen, Pochung/G-1241-2010;Kao, Ying Jer/0000-0002-3329-6018;;4;0;0;0;4;1098-0121;WOS:000311806300002;;;J;Kim, Jin Hee;Rhyee, Jong-Soo;Kwon, Yong Seung;Magnon gap formation and charge density wave effect on thermoelectric;properties in the SmNiC2 compound;PHYSICAL REVIEW B;86;23;235101;10.1103/PhysRevB.86.235101;DEC 3 2012;2012;We studied the electrical, thermal, and thermoelectric properties of the;polycrystalline compound of SmNiC2. The electrical resistivity and;magnetization measurement show the interplay between the charge density;wave at T-CDW = 150 K and the ferromagnetic ordering of T-c = 18 K.;Below the ferromagnetic transition temperature, we observed the magnon;gap formation of Delta similar or equal to 4.3- 4.4 meV by rho(T) and;C-p (T) measurements. The charge density wave is attributed to the;increase of the Seebeck coefficient resulting in the increase of the;power factor S-2 sigma. The thermal conductivity anomalously increases;with increasing temperature along the whole measured temperature range,;which implies the weak attribution of Umklapp phonon scattering. The;thermoelectric figure of merit ZT significantly increases due to the;increase of the power factor at T-CDW = 150 K. Here we argue that the;competing interaction between electron-phonon and electron-magnon;couplings exhibits the unconventional behavior of electrical and thermal;properties.;6;0;1;0;6;1098-0121;WOS:000311806300001;;;J;Osorio-Guillen, J. M.;Larrauri-Pizarro, Y. D.;Dalpian, G. M.;Pressure-induced metal-insulator transition and absence of magnetic;order in FeGa3 from a first-principles study;PHYSICAL REVIEW B;86;23;235202;10.1103/PhysRevB.86.235202;DEC 3 2012;2012;The intermetallic compound FeGa3 is a narrow-gap semiconductor with a;measured gap between 0.2 and 0.6 eV. The presence of iron d states on;the top of the valence band and on the bottom of the conduction band,;together with its moderate electronic correlation (U/W similar to 0.6),;have led to the question of whether there is magnetic order in this;compound. We have examined the possible presence of magnetism in FeGa3;as well as its electronic structure at high pressures, using the density;functional theory (DFT) + U method with the intermediated;double-counting scheme. We have found that for an optimized value of the;Yukawa screening length., there is no magnetic moment on the iron ions;(mu = 0), implying that FeGa3 is nonmagnetic. We have also found that;around a pressure of 25 GPa a metal-insulator transition takes place.;Osorio-Guillen, Jorge/B-7587-2008; Dalpian, Gustavo/B-9746-2008;Osorio-Guillen, Jorge/0000-0002-7384-8999;;3;0;0;0;3;1098-0121;WOS:000311806300005;;;J;Yuan, Xun;Zhang, Yubo;Abtew, Tesfaye A.;Zhang, Peihong;Zhang, Wenqing;VO2: Orbital competition, magnetism, and phase stability;PHYSICAL REVIEW B;86;23;235103;10.1103/PhysRevB.86.235103;DEC 3 2012;2012;The relative phase stability of VO2 is one of the most fundamental;issues concerning the metal-insulator transition in this material but;has been so far largely unexplored theoretically. We investigate the;relative stability of various phases of VO2 using different levels of;energy functionals within density functional theory (DFT). It is found;that straightforward applications of several popular energy functionals,;including the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional, result in;a wrong prediction for the ground state of VO2. In particular, although;the HSE and DFT + U methods are able to produce a band gap in the M-1;phase, they strongly favor the formation of local magnetic moments, a;result that clearly disagrees with experiments. We also examine the;effect of the occupation and the redistribution of the d derived t(2g);(i.e., d(xz), d(yz), and d(x2-y2)) orbitals of V atoms on the calculated;relative phase stability of VO2. We find that a small change in d;occupation can result in a drastically different theoretical prediction.;With the introduction of an orbital-dependent potential, a complete;separation between the d(x2-y2) derived valence band and d(xz) and d(yz);derived conduction bands in the M-1 phase is achieved, resulting in a;slight redistribution of the d occupation and a more faithful account of;the polarization of the t(2g) orbitals. This slight rearrangement of the;d occupation also leads to a relative phase stability of VO2 ( including;structural and magnetic phases) that agrees well with experiment.;Zhang, Wenqing/K-1236-2012; Zhang, Peihong/D-2787-2012;4;0;0;0;4;1098-0121;WOS:000311806300003;;;J;Campi, Davide;Bernasconi, Marco;Benedek, Giorgio;Electronic properties and lattice dynamics of the As(111) surface;PHYSICAL REVIEW B;86;24;245403;10.1103/PhysRevB.86.245403;DEC 3 2012;2012;The bulk and surface electronic and structural properties of As(111);have been studied with first-principles methods. The inclusion of;spin-orbit interaction reveals that As shares the same topologically;nontrivial order of the bulk electronic bands of Sb which gives rise to;two spin-polarized surface states connecting valence-like and;conduction-like states. Bulk and surface phonons have been calculated by;means of density functional perturbation theory. The surface phonon;bands reveal features related to a remarkable stiffening of the surface;bilayer with respect to the bulk ones similarly to what is measured for;the Bi(111) and to what is expected for the Sb(111) surface.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000311806500003;;;J;Chakraborty, Akash;Wenk, Paul;Bouzerar, Richard;Bouzerar, Georges;Spontaneous magnetization in the presence of nanoscale inhomogeneities;in diluted magnetic systems;PHYSICAL REVIEW B;86;21;214402;10.1103/PhysRevB.86.214402;DEC 3 2012;2012;The presence of nanoscale inhomogeneities has been experimentally;evidenced in several diluted magnetic systems, which in turn often leads;to interesting physical phenomena. However, a proper theoretical;understanding of the underlying physics is lacking in most of the cases.;Here, we present a detailed and comprehensive theoretical study of the;effects of nanoscale inhomogeneities on the temperature-dependent;spontaneous magnetization in diluted magnetic systems, which is found to;exhibit an unusual and unconventional behavior. The effects of impurity;clustering on the magnetization response have hardly been studied until;now. We show that nanosized clusters of magnetic impurities can lead to;drastic effects on the magnetization compared to that of homogeneously;diluted compounds. The anomalous nature of the magnetization curves;strongly depends on the relative concentration of the inhomogeneities as;well as the effective range of the exchange interactions. In addition,;we also provide a systematic discussion of the nature of the;distributions of the local magnetizations.;3;0;0;0;3;1098-0121;WOS:000311805500004;;;J;Dmitriev, A. P.;Gornyi, I. V.;Polyakov, D. G.;Coulomb drag between ballistic quantum wires;PHYSICAL REVIEW B;86;24;245402;10.1103/PhysRevB.86.245402;DEC 3 2012;2012;We develop a kinetic equation description of Coulomb drag between;ballistic one-dimensional electron systems, which enables us to;demonstrate that equilibration processes between right- and left-moving;electrons are crucially important for establishing dc drag. In;one-dimensional geometry, this type of equilibration requires either;backscattering near the Fermi level or scattering with small-momentum;transfer near the bottom of the electron spectrum. Importantly, pairwise;forward scattering in the vicinity of the Fermi surface alone is not;sufficient to produce a nonzero dc drag resistivity rho(D), in contrast;to a number of works that have studied Coulomb drag due to this;mechanism of scattering before. We show that slow equilibration between;two subsystems of electrons of opposite chirality, "bottlenecked" by;inelastic collisions involving cold electrons near the bottom of the;conduction band, leads to a strong suppression of Coulomb drag, which;results in an activation dependence of rho(D) on temperature, instead of;the conventional power law. We demonstrate the emergence of a drag;regime in which rho(D) does not depend on the strength of interwire;interactions, while depending strongly on the strength of interactions;inside the wires.;4;0;0;0;4;1098-0121;WOS:000311806500002;;;J;Etz, Corina;Costa, Marcio;Eriksson, Olle;Bergman, Anders;Accelerating the switching of magnetic nanoclusters by anisotropy-driven;magnetization dynamics;PHYSICAL REVIEW B;86;22;224401;10.1103/PhysRevB.86.224401;DEC 3 2012;2012;In this work, the magnetization dynamics of clusters supported on;nonmagnetic substrates is shown to exhibit a complex response when;subjected to external magnetic fields. The field-driven magnetization;reversal of small Co clusters deposited on a Cu(111) surface has been;studied by means of first-principles calculations and atomistic spin;dynamics simulations. For applied fields ranging from 1 to 10 Tesla, we;observe a coherent magnetization reversal with switching times in the;range of several tenths of picoseconds to several nanoseconds, depending;on the field strength. We find a nonmonotonous dependence of the;switching times with respect to the strength of the applied field, which;we prove has its origin in the complex magnetic anisotropy landscape of;these low-dimensional systems. This effect is shown to be stable for;temperatures around 10 K, and is possible to realize over a range of;exchange interactions and anisotropy landscapes. Possible experimental;routes to achieve this unique switching behavior are discussed.;Bergman, Anders/H-7996-2012; Etz, Corina/E-3112-2014; Eriksson, Olle/E-3265-2014;Bergman, Anders/0000-0002-5134-1978;;3;1;0;0;3;1098-0121;WOS:000311805700003;;;J;Harada, S.;Zhou, J. J.;Yao, Y. G.;Inada, Y.;Zheng, Guo-qing;Abrupt enhancement of noncentrosymmetry and appearance of a spin-triplet;superconducting state in Li-2(Pd1-xPtx)(3)B beyond x=0.8;PHYSICAL REVIEW B;86;22;220502;10.1103/PhysRevB.86.220502;DEC 3 2012;2012;We report synthesis, Pt-195, B-11, and Li-7 NMR measurements, and;first-principles band calculations for noncentrosymmetric;superconductors Li-2(Pd1-xPtx)(3)B (x = 0, 0.2, 0.5, 0.8, 0.84, 0.9, and;1). For 0 <= x <= 0.8, the spin-lattice relaxation rate 1/T-1 shows a;clear coherence peak just below T-c, decreasing exponentially at low;temperature, and the Knight shift K-195 decreases below Tc. For x = 0.9;and 1.0, in contrast, 1/T-1 shows no coherence peak but a T-3 variation;and K-195 remains unchanged across T-c. These results indicate that the;superconducting state changes drastically from a spin-singlet dominant;to a spin-triplet dominant state at x = 0.8. We find that the distortion;of B(Pt,Pd)(6) increases abruptly above x = 0.8, which leads to an;abrupt enhancement of the asymmetric spin-orbit coupling as confirmed by;band calculation. Such structure distortion that enhances the extent of;inversion-symmetry breaking is primarily responsible for the pairing;symmetry evolution. The insight obtained here provides a guideline for;searching for noncentrosymmetric superconductors with a large;spin-triplet component.;Yao, Yugui/A-8411-2012; Zheng, Guo-qing/B-1524-2011;6;0;0;0;6;1098-0121;WOS:000311805700002;;;J;Huang, C. L.;Fritsch, V.;Kittler, W.;v. Loehneysen, H.;Low-temperature properties of CeAu2Ge2 single crystals grown from Au-Ge;and Sn flux;PHYSICAL REVIEW B;86;21;214401;10.1103/PhysRevB.86.214401;DEC 3 2012;2012;The specific heat of CeAu2Ge2 single crystals grown from Au-Ge (AGF) or;Sn flux (SF) was measured at temperatures T between 1.8 and 200 K. Two;magnetic transitions are observed in the zero-field specific heat at;12.1 and 14.5 K in the AGF sample, while only a single sharp transition;at 9.2 K is seen in the SF sample, confirming our recent susceptibility;results [Fritsch et al., Phys. Rev. B 84, 104446 (2011)]. We observe;several field-induced transitions in the magnetoresistance of the AGF;sample measured at 1.6 and 2.3 K in accordance with the B-T phase;diagram constructed from isothermal magnetization curves M(B). In;addition, we have measured M(B) under hydrostatic pressure P up to 10.5;kbar. The Neel temperature T-N increases linearly with P at a small rate;of 0.049 K/kbar, which suggests that, if T-N(P) is attributed to a pure;volume effect, this compound is close to the maximum transition;temperature of the Doniach diagram. The transition fields B-M between;the field-induced phases increase linearly with P as well. The;comparable Gruneisen parameters of T-N and B-M indicate that the energy;scale depending on the sample's volume is given by the antiferromagnetic;correlations and not by the Kondo effect. We discuss possible reasons;for the different magnetic behavior of AGF and SF samples.;Huang, Chien-Lung/O-2028-2013;2;0;0;0;2;1098-0121;WOS:000311805500003;;;J;Jadczak, J.;Kubisa, M.;Ryczko, K.;Bryja, L.;Potemski, M.;High magnetic field spin splitting of excitons in asymmetric GaAs;quantum wells;PHYSICAL REVIEW B;86;24;245401;10.1103/PhysRevB.86.245401;DEC 3 2012;2012;Low-temperature photoluminescence from high-quality GaAs quantum wells,;asymmetrically doped with carbon, are investigated under high magnetic;fields (up to 20 T) directed along the [001] growth axis. At higher;fields, in the sigma(-) polarized emission, we observe two well-resolved;lines which are attributed to the recombination of neutral (X) and;charged (X+) excitons. In contrast, only the neutral exciton line is;observed for the sigma(+) polarization. From the difference of the X;line positions for the two polarizations we determine the effective;Zeeman splitting of neutral excitons and then the g factor g(h) of;confined holes. We find that g(h) depends substantially on the well size;and changes the sign at moderate magnetic fields. To explain the;experimental results, the valence Landau levels are calculated using the;Luttinger model beyond the axial approximation. We demonstrate that;mainly the excited hole levels contribute to the excitonic state at;higher magnetic fields. Due to their light-hole character, resulting;from the valence-band mixing, the excited hole states have a sizable;overlap with the electron states confined far from the doped barrier.;The calculated values of g(h) are in an excellent quantitative agreement;with the experimental data.;2;0;0;0;2;1098-0121;WOS:000311806500001;;;J;Lane, Nina J.;Vogel, Sven C.;Hug, Gilles;Togo, Atsushi;Chaput, Laurent;Hultman, Lars;Barsoum, Michel W.;Neutron diffraction measurements and first-principles study of thermal;motion of atoms in select M(n+1)AX(n) and binary MX transition-metal;carbide phases;PHYSICAL REVIEW B;86;21;214301;10.1103/PhysRevB.86.214301;DEC 3 2012;2012;Herein, we compare the thermal vibrations of atoms in select ternary;carbides with the formula M(n+1)AX(n) ("MAX phases," M = Ti, Cr; A = Al,;Si, Ge; X = C, N) as determined from first-principles phonon;calculations to those obtained from high-temperature neutron powder;diffraction studies. The transition metal carbides TiC, TaC, and WC are;also studied to test our methodology on simpler carbides. Good;qualitative and quantitative agreement is found between predicted and;experimental values for the binary carbides. For all the MAX phases;studied-Ti3SiC2, Ti3GeC2, Ti2AlN, Cr2GeC and Ti4AlN3-density functional;theory calculations predict that the A element vibrates with the highest;amplitude and does so anisotropically with a higher amplitude within the;basal plane, which is in line with earlier results from high-temperature;neutron diffraction studies. In some cases, there are quantitative;differences in the absolute values between the theoretical and;experimental atomic displacement parameters (ADPs), such as reversal of;anisotropy or a systematic offset of temperature-dependent ADPs. The;mode-dependent Gruneisen parameters are also computed to explore the;anharmonicity in the system.;Lujan Center, LANL/G-4896-2012;4;0;0;0;4;1098-0121;WOS:000311805500002;;;J;Niemann, R.;Baro, J.;Heczko, O.;Schultz, L.;Faehler, S.;Vives, E.;Manosa, L.;Planes, A.;Tuning avalanche criticality: Acoustic emission during the martensitic;transformation of a compressed Ni-Mn-Ga single crystal;PHYSICAL REVIEW B;86;21;214101;10.1103/PhysRevB.86.214101;DEC 3 2012;2012;The propagation of a phase front during a thermally induced martensitic;transition is discontinuous due to pinning at various defects, an effect;which results in acoustic emission. Here we analyze the consequences of;an applied compressive stress exemplarily on a Ni50.4Mn27.9Ga21.7 single;crystal. Our experiments show that the distribution of the energies of;the acoustic emission events follows a power law for more than three;decades. This indicates that the transition exhibits avalanche;criticality. The exponent characterizing the distribution of energies;depends on the applied stress, and decreases from 1.9 +/- 0.1 at zero;stress to 1.5 +/- 0.2 at stress above 3 MPa. This decrease could be;attributed to the reduced multiplicity of variants possible under;uniaxial compression.;Niemann, Robert/F-3634-2012; Schultz, Ludwig/B-3383-2010; Manosa, Lluis/D-8579-2014; Heczko, Oleg/G-9355-2014; Vives, Eduard/I-4821-2014;Manosa, Lluis/0000-0002-1182-2670; Vives, Eduard/0000-0002-5916-7214;4;0;0;0;4;1098-0121;WOS:000311805500001;;;J;Usui, Hidetomo;Suzuki, Katsuhiro;Kuroki, Kazuhiko;Minimal electronic models for superconducting BiS2 layers;PHYSICAL REVIEW B;86;22;220501;10.1103/PhysRevB.86.220501;DEC 3 2012;2012;We construct minimal electronic models for a newly discovered;superconductor LaO1-xFxBiS2 (T-c = 10.6 K) possessing BiS2 layers based;on a first-principles band calculation. First, we obtain a model;consisting of two Bi 6p and two S 3p orbitals, which give nearly;electron-hole symmetric bands. Further focusing on the bands that;intersect the Fermi level, we obtain a model with two p orbitals. The;two bands (per BiS2 layer) have a quasi-one-dimensional character with a;double minimum dispersion, which gives good nesting of the Fermi;surface. At around x similar to 0.5 the topology of the Fermi surface;changes, so that the density of states at the Fermi level becomes large.;Possible pairing states are discussed.;42;0;0;0;42;1098-0121;WOS:000311805700001;;;J;Cammarata, Antonio;Rondinelli, James M.;Spin-assisted covalent bond mechanism in "charge-ordering" perovskite;oxides;PHYSICAL REVIEW B;86;19;195144;10.1103/PhysRevB.86.195144;NOV 30 2012;2012;First-principles density functional calculations on the metal-insulator;transition (MIT) in perovskite CaFeO3 point to local ferromagnetic;coupling as the microscopic origin for the electronic "charge order";transition. Our atomic, electronic, and magnetic structure analyses;reveal that the MIT results from a spin-assisted covalent bonding;mechanism between the O 2p and Fe 3d states with anisotropic Fe-O bonds;and negligible intersite Fe-Fe charge transfer. We suggest that control;of the lattice distortions, which mediate the covalent bond formation,;in oxides containing late transition-metal row cations in high valence;states provides a platform to tailor electronic transitions.;Rondinelli, James/A-2071-2009; Cammarata, Antonio/A-4883-2014;Rondinelli, James/0000-0003-0508-2175; Cammarata,;Antonio/0000-0002-5691-0682;7;0;0;0;7;1098-0121;WOS:000311715000003;;;J;Clem, John R.;Kogan, V. G.;Kinetic impedance and depairing in thin and narrow superconducting films;PHYSICAL REVIEW B;86;17;174521;10.1103/PhysRevB.86.174521;NOV 30 2012;2012;We use both Eilenberger-Usadel and Ginzburg-Landau (GL) theory to;calculate the superfluid's temperature-dependent kinetic inductance for;all currents up to the depairing current in thin and narrow;superconducting films. The calculations apply to BCS weak-coupling;superconductors with isotropic gaps and transport mean-free paths much;less than the BCS coherence length. The kinetic inductance is calculated;for the response to a small alternating current when the film is;carrying a dc bias current. In the slow-experiment/fast-relaxation;limit, in which the superconducting order parameter quasistatically;follows the time-dependent current, the kinetic inductance diverges as;the bias current approaches the depairing value. However, in the;fast-experiment/slow-relaxiation limit, in which the the superconducting;order parameter remains fixed at a value corresponding to the dc bias;current, the kinetic inductance rises to a finite value at the depairing;current. We then use time-dependent GL theory to calculate the kinetic;impedance of the superfluid, which includes not only the kinetic;reactance, but also the kinetic resistance of the superfluid arising;from dissipation due to order-parameter relaxation. The kinetic;resistance is largest for angular frequencies omega obeying omega tau(s);> 1, where tau(s) is the order-parameter relaxation time, and for bias;currents close to the depairing current. We also include the normal;fluid's contribution to dissipation in deriving an expression for the;total kinetic impedance. The Appendices contain many details about the;temperature-dependent behavior of superconductors carrying current up to;the depairing value.;3;0;0;0;3;1098-0121;WOS:000311714600005;;;J;Cohn, J. L.;Boynton, P.;Trivino, J. S.;Trastoy, J.;White, B. D.;dos Santos, C. A. M.;Neumeier, J. J.;Stoichiometry, structure, and transport in the quasi-one-dimensional;metal Li0.9Mo6O17;PHYSICAL REVIEW B;86;19;195143;10.1103/PhysRevB.86.195143;NOV 30 2012;2012;A correlation between lattice parameters, oxygen composition, and the;thermoelectric and Hall coefficients is presented for single-crystal;Li0.9Mo6O17, a quasi-one-dimensional (Q1D) metallic compound. The;possibility that this compound is a compensated metal is discussed in;light of a substantial variability observed in the literature for these;transport coefficients.;1;0;0;0;1;1098-0121;WOS:000311715000002;;;J;Crepaldi, A.;Ressel, B.;Cilento, F.;Zacchigna, M.;Grazioli, C.;Berger, H.;Bugnon, Ph.;Kern, K.;Grioni, M.;Parmigiani, F.;Ultrafast photodoping and effective Fermi-Dirac distribution of the;Dirac particles in Bi2Se3;PHYSICAL REVIEW B;86;20;205133;10.1103/PhysRevB.86.205133;NOV 30 2012;2012;We exploit time- and angle-resolved photoemission spectroscopy to;determine the evolution of the out-of-equilibrium electronic structure;of the topological insulator Bi2Se3. The response of the Fermi-Dirac;distribution to ultrashort IR laser pulses has been studied by modeling;the dynamics of hot electrons after optical excitation. We disentangle a;large increase in the effective temperature (T*) from a shift of the;chemical potential (mu*), which is consequence of the ultrafast;photodoping of the conduction band. The relaxation dynamics of T* and;mu* are k independent and these two quantities uniquely define the;evolution of the excited charge population. We observe that the energy;dependence of the nonequilibrium charge population is solely determined;by the analytical form of the effective Fermi-Dirac distribution.;14;1;0;0;14;1098-0121;WOS:000311715100007;;;J;Dumlich, Heiko;Reich, Stephanie;Nanotube bundles and tube-tube orientation: A van der Waals density;functional study (vol 84, 064121, 2011);PHYSICAL REVIEW B;86;17;179905;10.1103/PhysRevB.86.179905;NOV 30 2012;2012;0;0;0;0;0;1098-0121;WOS:000311714600007;;;J;Fukutani, Keisuke;Hayashi, Hirokazu;Yakovkin, Ivan N.;Habuchi, Takafumi;Hirayama, Daisuke;Jiang, Jian;Iwasawa, Hideaki;Shimada, Kenya;Losovyj, Ya. B.;Dowben, Peter A.;Enhanced electron-phonon coupling at the Au/Mo(112) surface;PHYSICAL REVIEW B;86;20;205432;10.1103/PhysRevB.86.205432;NOV 30 2012;2012;A detailed investigation of the electronic structure and electron-phonon;coupling for a Au monolayer on the Mo(112) surface is presented. The;electronic states of bulk Mo and the (112) surface-derived states are;seen to strongly hybridize with those of the Au overlayer, resulting in;the formation of surface resonance states localized near the surface and;the interface of Au/Mo(112). The experimentally extracted self-energy;due to the electron-phonon coupling on one of the surface resonance;bands gives a good quantitative agreement with the calculations. The;strength of electron-phonon coupling for Au/Mo(112) is discussed in;terms of the mass enhancement factor and is considerably larger than for;the Mo(112) surface. Such an increase in the mass enhancement factor in;the vicinity of the Fermi level likely derives from the soft surface;phonon modes created upon Au adsorption.;2;0;0;0;2;1098-0121;WOS:000311715100011;;;J;Hamada, Ikutaro;Adsorption of water on graphene: A van der Waals density functional;study;PHYSICAL REVIEW B;86;19;195436;10.1103/PhysRevB.86.195436;NOV 30 2012;2012;The van der Waals density functional (vdW-DF) was used to investigate;the interaction of a water monomer with graphene. It was found that a;variant of vdW-DF [Hamada and Otani, Phys. Rev. B 82, 153412 (2010)];predicts geometries and energetics of water on graphene which are in;good agreement with those obtained using more elaborate random-phase;approximation and quantum Monte Carlo approaches. Interfacial electronic;structures were also analyzed in detail.;Hamada, Ikutaro/E-8040-2010;Hamada, Ikutaro/0000-0001-5112-2452;12;1;0;0;12;1098-0121;WOS:000311715000010;;;J;Hofmann, D.;Kuemmel, S.;Integer particle preference during charge transfer in Kohn-Sham theory;PHYSICAL REVIEW B;86;20;201109;10.1103/PhysRevB.86.201109;NOV 30 2012;2012;We investigate the static and dynamic charge transfer that is triggered;by external electric fields in model molecular wires. A self-interaction;correction in Kohn-Sham density functional theory leads to the desired;integer electron transfers that do not occur with standard functionals;which miss Coulomb blockade effects. Analysis of the multiplicative;exchange-correlation potential in stationary cases and during real-time;propagation shows how the local exchange-correlation potential builds up;step and reverse-step structures that enforce the integer particle;preference. The role of spin-symmetry breaking is discussed.;Kummel, Stephan/K-5634-2014;8;0;0;0;8;1098-0121;WOS:000311715100002;;;J;Illg, Christian;Meyer, Bernd;Faehnle, Manfred;Frequencies and polarization vectors of phonons: Results from force;constants which are fitted to experimental data or calculated ab initio;PHYSICAL REVIEW B;86;17;174309;10.1103/PhysRevB.86.174309;NOV 30 2012;2012;The properties of phonons may be calculated from the dynamical matrix;which is determined by force constants. Often the force constants are;obtained by fitting them to experimental phonon frequencies, e. g., for;wave vectors q on high-symmetry directions of the Brillouin zone. It is;well known that these force constants do not necessarily lead to correct;frequencies for wave vectors for nonsymmetrical q and to correct;polarization vectors. In the present paper this is demonstrated by;comparing for fcc Ni, fcc Al, and bcc Fe the frequencies and;polarization vectors calculated from fitted force constants with the;results from ab initio calculated force constants. However, for most;regions of the Brillouin zone the differences between the results;obtained from the two sets of force constants are not large.;1;0;0;0;1;1098-0121;WOS:000311714600003;;;J;Iori, Federico;Rodolakis, Fanny;Gatti, Matteo;Reining, Lucia;Upton, M.;Shvyd'ko, Y.;Rueff, Jean-Pascal;Marsi, Marino;Low-energy excitations in strongly correlated materials: A theoretical;and experimental study of the dynamic structure factor in V2O3;PHYSICAL REVIEW B;86;20;205132;10.1103/PhysRevB.86.205132;NOV 30 2012;2012;This work contains an experimental and theoretical study of the dynamic;structure factor at large momentum transfer vertical bar Q vertical bar;similar to 4 angstrom(-1) of the strongly correlated transition-metal;oxide V2O3. We focus in particular on the transitions between d states;that give rise to the spectra below 6 eV. We show that the main peak in;this energy range is mainly due to t(2g) -> e(g)(sigma) transitions, and;that it carries a signature of the phase transition between the;paramagnetic insulator and the paramagnetic metal that can already be;understood from the joint density of states calculated at the level of;the static local density approximation. Instead, in order to obtain;theoretical spectra that are overall similar to the measured ones, we;have to go beyond the static approximation and include at least crystal;local field effects. The latter turn out to be crucial in order to;eliminate a spurious peak and hence allow a safe comparison between;theory and experiment, including an analysis of the strong anisotropy of;the spectra.;CSIC-UPV/EHU, CFM/F-4867-2012; Iori, Federico/E-5372-2013; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Iori, Federico/0000-0002-7677-3435;;4;0;0;0;4;1098-0121;WOS:000311715100006;;;J;Kharitonov, Maxim;Antiferromagnetic state in bilayer graphene;PHYSICAL REVIEW B;86;19;195435;10.1103/PhysRevB.86.195435;NOV 30 2012;2012;Motivated by the recent experiment of Velasco Jr. et al. [J. Velasco Jr.;et al., Nat. Nanotechnology 7, 156 (2012)], we develop a mean-field;theory of the interaction-induced antiferromagnetic (AF) state in;bilayer graphene at charge neutrality point at arbitrary perpendicular;magnetic field B. We demonstrate that the AF state can persist at all B.;At higher B, the state continuously crosses over to the AF phase of the;nu = 0 quantum Hall ferromagnet, recently argued to be realized in the;insulating nu = 0 state. The mean-field quasiparticle gap is finite at B;= 0 and grows with increasing B, becoming quasilinear in the quantum;Hall regime, in accord with the reported behavior of the transport gap.;By adjusting the two free parameters of the model, we obtain a;simultaneous quantitative agreement between the experimental and;theoretical values of the key parameters of the gap dependence-its;zero-field value and slope at higher fields. Our findings suggest that;the insulating state observed in bilayer graphene in Ref. 1 is;antiferromagnetic (canted, once the Zeeman effect is taken into account);at all magnetic fields.;19;1;0;0;19;1098-0121;WOS:000311715000009;;;J;Klos, J. W.;Kumar, D.;Romero-Vivas, J.;Fangohr, H.;Franchin, M.;Krawczyk, M.;Barman, A.;Effect of magnetization pinning on the spectrum of spin waves in;magnonic antidot waveguides;PHYSICAL REVIEW B;86;18;184433;10.1103/PhysRevB.86.184433;NOV 30 2012;2012;We study the spin-wave spectra in magnonic antidot waveguides (MAWs) for;two limiting cases (strong and negligible) of the surface anisotropy at;the ferromagnet/air interface. The MAWs under investigation have the;form of a thin stripe of permalloy with a single row of periodically;arranged antidots in the middle. The introduction of a magnetization;pinning at the edges of the permalloy stripe and the edges of antidots;is found to modify the spin-wave spectrum. This effect is shown to be;necessary for magnonic gaps to open in the considered systems. Our study;demonstrates that the surface anisotropy can be crucial in the practical;applications of MAWs and related structures and in the interpretation of;experimental results in one-and two-dimensional magnonic crystals. We;used three different numerical methods, i.e., plane waves method (PWM),;finite difference method, and finite element method to validate the;results. We showed that PWM in the present formulation assumes pinned;magnetization, while in micromagnetic simulations special care must be;taken to introduce pinning.;Fangohr, Hans/C-6367-2008; Klos, Jaroslaw/G-9728-2012;Fangohr, Hans/0000-0001-5494-7193; Klos, Jaroslaw/0000-0002-5858-2950;13;2;0;0;13;1098-0121;WOS:000311714700002;;;J;Kolata, K.;Koester, N. S.;Chernikov, A.;Drexler, M. J.;Gatti, E.;Cecci, S.;Chrastina, D.;Isella, G.;Guzzi, M.;Chatterjee, S.;Dephasing in Ge/SiGe quantum wells measured by means of coherent;oscillations;PHYSICAL REVIEW B;86;20;201303;10.1103/PhysRevB.86.201303;NOV 30 2012;2012;We present a dephasing time analysis of the excitonic resonances in;Ge/SiGe quantum wells for various lattice temperatures by coherent;oscillation spectroscopy (COS). The results are compared to the;linewidths of the excitonic resonances determined from linear absorption;measurements. Additionally, COS is applied to different samples with;varying linewidth, identifying one sample with a dominating;homogeneously broadened 1s excitonic resonance down to 7 K.;Chatterjee, Sangam/E-3124-2012;2;0;0;0;2;1098-0121;WOS:000311715100003;;;J;Lang, Li-Jun;Chen, Shu;Majorana fermions in density-modulated p-wave superconducting wires;PHYSICAL REVIEW B;86;20;205135;10.1103/PhysRevB.86.205135;NOV 30 2012;2012;We study the p-wave superconducting wire with a periodically modulated;chemical potential and show that the Majorana edge states are robust;against the periodic modulation. We find that the critical amplitude of;modulated potential, at which the Majorana edge fermions and topological;phase disappear, strongly depends on the phase shifts. For some specific;values of the phase shift, the critical amplitude tends to infinity. The;existence of Majorana edge fermions in the open chain can be;characterized by a topological Z(2) invariant of the bulk system, which;can be applied to determine the phase boundary between the topologically;trivial and nontrivial superconducting phases. We also demonstrate the;existence of the zero-energy peak in the spectral function of the;topological superconducting phase, which is only sensitive to the open;boundary condition but robust against the disorder.;Lang, Li-Jun/C-2815-2014;Lang, Li-Jun/0000-0001-6038-8340;11;0;0;0;11;1098-0121;WOS:000311715100009;;;J;Lazicki, Amy;Dewaele, Agnes;Loubeyre, Paul;Mezouar, Mohamed;High-pressure-temperature phase diagram and the equation of state of;beryllium;PHYSICAL REVIEW B;86;17;174118;10.1103/PhysRevB.86.174118;NOV 30 2012;2012;X-ray diffraction of beryllium in a laser-heated diamond anvil cell;provides experimental insight into its behavior at high pressure and;temperature. We measure the cold compression of Be in helium and NaCl;pressure media up 192 GPa, and its thermal expansion up to 82 GPa and;2630 K. The new measurements form a P-V-T data set which is fit by the;Vinet-Debye form to establish a Be experimental equation of state. We;compare the results to several theoretical models. The crystal structure;of Be is determined up to 205 GPa and 4000 K; no evidence for the;predicted high-temperature transition to a cubic phase is found.;Finally, the maximum temperature stability of the solid phase along;isobaric heating ramps gives a lower bound for the melting curve.;5;0;0;0;5;1098-0121;WOS:000311714600002;;;J;Li, J.;Ekuma, C. E.;Vekhter, I.;Jarrell, M.;Moreno, J.;Stadler, S.;Karki, A. B.;Jin, R.;Physical properties of Ba2Mn2Sb2O single crystals;PHYSICAL REVIEW B;86;19;195142;10.1103/PhysRevB.86.195142;NOV 30 2012;2012;We report both experimental and theoretical investigations of the;physical properties of Ba2Mn2Sb2O single crystals. This material;exhibits a hexagonal structure with lattice constants a = 4.7029(15) A;and c = 19.9401(27) A, as obtained from powder x-ray diffraction;measurements, and in agreement with structural optimization through;density functional theory (DFT) calculations. The magnetic;susceptibility and specific heat show anomalies at T-N = 60 K,;consistent with antiferromagnetic ordering. However, the magnitude of;T-N is significantly smaller than the Curie-Weiss temperature (vertical;bar Theta(CW)vertical bar approximate to 560 K), suggesting a magnetic;system of reduced dimensionality. The temperature dependence of both the;in-plane and out-of-plane resistivity changes from activated at T > T-x;similar to 200 K to logarithmic at T < T-x. Correspondingly, the;magnetic susceptibility displays a bump at T-x. DFT calculations at the;DFT + U level support the experimental observation of an;antiferromagnetic ground state.;Vekhter, Ilya/M-1780-2013; Moreno, Juana/D-5882-2012;0;0;0;0;0;1098-0121;WOS:000311715000001;;;J;Mafra, D. L.;Kong, J.;Sato, K.;Saito, R.;Dresselhaus, M. S.;Araujo, P. T.;Using gate-modulated Raman scattering and electron-phonon interactions;to probe single-layer graphene: A different approach to assign phonon;combination modes;PHYSICAL REVIEW B;86;19;195434;10.1103/PhysRevB.86.195434;NOV 30 2012;2012;Gate-modulated and laser-dependent Raman spectroscopy have been widely;used to study q = 0 zone center phonon modes, their self-energy, and;their coupling to electrons in graphene systems. In this work we use;gate-modulated Raman of q not equal 0 phonons as a technique to;understand the nature of five second-order Raman combination modes;observed in the frequency range of 1700-2300 cm(-1) of single-layer;graphene (SLG). Anomalous phonon self-energy renormalization phenomena;are observed in all five combination modes within this intermediate;frequency region, which can clearly be distinguished from one another.;By combining the anomalous phonon renormalization effect with the double;resonance Raman theory, which includes both phonon dispersion relations;and angular dependence of the electron-phonon scattering matrix;elements, and by comparing it to the experimentally obtained phonon;dispersion, measured by using different laser excitation energies, we;can assign each Raman peak to the proper phonon combination mode. This;approach should also shed light on the understanding of more complex;structures such as few-layer graphene (FLG) and its stacking orders as;well as other two-dimensional (2D)-like materials.;Sato, Kentaro/B-7163-2008; Saito, Riichiro/B-1132-2008;Sato, Kentaro/0000-0001-6706-2175;;5;2;1;0;5;1098-0121;WOS:000311715000008;;;J;Mazza, Giacomo;Fabrizio, Michele;Dynamical quantum phase transitions and broken-symmetry edges in the;many-body eigenvalue spectrum;PHYSICAL REVIEW B;86;18;184303;10.1103/PhysRevB.86.184303;NOV 30 2012;2012;Many-body models undergoing a quantum phase transition to a;broken-symmetry phase that survives up to a critical temperature must;possess, in the ordered phase, symmetric as well as nonsymmetric;eigenstates. We predict, and explicitly show in the fully connected;Ising model in a transverse field, that these two classes of eigenstates;do not overlap in energy, and therefore that an energy edge exists;separating low-energy symmetry-breaking eigenstates from high-energy;symmetry-invariant ones. This energy is actually responsible, as we;show, for the dynamical phase transition displayed by this model under a;sudden large increase of the transverse field. A second situation we;consider is the opposite, where the symmetry-breaking eigenstates are;those in the high-energy sector of the spectrum, whereas the low-energy;eigenstates are symmetric. In that case too a special energy must exist;marking the boundary and leading to unexpected out-of-equilibrium;dynamical behavior. An example is the fermonic repulsive Hubbard model;Hamiltonian H. Exploiting the trivial fact that the high-energy spectrum;of H is also the low-energy one of -H, we conclude that the high-energy;eigenstates of the Hubbard model are superfluid. Simulating in a;time-dependent Gutzwiller approximation the time evolution of a;high-energy BCS-like trial wave function, we show that a small;superconducting order parameter will actually grow in spite of the;repulsive nature of the interaction.;fabrizio, michele/N-3762-2014;2;0;0;0;2;1098-0121;WOS:000311714700001;;;J;Mueller, T.;Aharonovich, I.;Wang, Z.;Yuan, X.;Castelletto, S.;Prawer, S.;Atatuere, M.;Phonon-induced dephasing of chromium color centers in diamond;PHYSICAL REVIEW B;86;19;195210;10.1103/PhysRevB.86.195210;NOV 30 2012;2012;We report on the coherence properties of single photons from;chromium-based color centers in diamond. We use field-correlation and;spectral line-shape measurements to reveal the interplay between slow;spectral wandering and fast dephasing mechanisms as a function of;temperature. The zero-phonon transition frequency and its linewidth;follow a power-law dependence on temperature, which is consistent with;direct electron-phonon coupling and phonon-modulated Coulomb coupling to;nearby impurities, which are the predominant fast dephasing mechanisms;for these centers. Further, the observed reduction in the quantum yield;for photon emission as a function of temperature suggests the opening of;additional nonradiative channels through thermal activation to;higher-energy states and indicates a near-unity quantum efficiency at 4;K.;castelletto, stefania/G-1516-2011; McKenzie, Warren/J-2137-2014;3;0;0;0;3;1098-0121;WOS:000311715000007;;;J;Murthy, Ganpathy;Shankar, R.;Hamiltonian theory of fractionally filled Chern bands;PHYSICAL REVIEW B;86;19;195146;10.1103/PhysRevB.86.195146;NOV 30 2012;2012;There is convincing numerical evidence that fractional quantum-Hall-like;ground states arise in fractionally filled Chern bands. Here, we show;that the Hamiltonian theory of composite fermions (CF) can be as useful;in describing these states as it was in describing the fractional;quantum Hall effect (FQHE) in the continuum. We are able to introduce;CFs into the fractionally filled Chern-band problem in two stages.;First, we construct an algebraically exact mapping which expresses the;electron density projected to the Chern band rho(FCB) as a sum of;Girvin-MacDonald-Platzman density operators rho(GMP) that obey the;magnetic translation algebra. Next, following our Hamiltonian treatment;of the FQH problem, we rewrite the operators rho(GMP) in terms of CF;variables which reproduce the same algebra. This naturally produces a;unique Hartree-Fock ground state for the CFs, which can be used as a;springboard for computing gaps, response functions,;temperature-dependent phenomena, and the influence of disorder. We give;two concrete examples, one of which has no analog in the continuum FQHE;with nu = 1/5 and sigma(xy) = 2/5. Our approach can be easily extended;to fractionally filled, strongly interacting two-dimensional;time-reversal-invariant topological insulators.;15;0;0;0;15;1098-0121;WOS:000311715000005;;;J;Ovsyannikov, Sergey V.;Morozova, Natalia V.;Karkin, Alexander E.;Shchennikov, Vladimir V.;High-pressure cycling of hematite alpha-Fe2O3: Nanostructuring, in situ;electronic transport, and possible charge disproportionation;PHYSICAL REVIEW B;86;20;205131;10.1103/PhysRevB.86.205131;NOV 30 2012;2012;We studied electronic transport properties of hematite (alpha-Fe2O3) at;room temperature under cycling of high pressure up to similar to 22 GPa.;The original samples and those recovered after high-pressure experiments;were examined by x-ray diffraction and Raman and optical absorption;spectroscopy. At ambient pressure the original samples were also;characterized by temperature measurements of electrical and;galvanomagnetic properties. Upon compression, the original single;crystals underwent a sluggish structural deconfinement starting above 5;GPa into a nanometric state. Above 5-7 GPa, the nanostructured hematite;showed a reversible transition to a state with enhanced electrical;conductivity and moderate values of thermoelectric power (Seebeck;effect) of about -150 mu V/K. This electronic phase corresponds to;neither conventional trivalent oxidation state of the iron ions in;hematite nor metallic conductivity. Analysis of the electronic transport;data in the frameworks of two models, of polaron hopping, and of;intrinsic semiconductor conductivity, revealed a change from the;electron conductivity to two-band electrical conductivity and suggested;that the observed enhancement of the electrical properties in;nanocrystalline alpha-Fe2O3 above 5-7 GPa is related to the;mixed-valence state of the iron ions. Since alpha-Fe2O3 is believed to;undergo a "spin-flop" (Morin) transition near 2-5 GPa at room;temperature, we discuss potential contributions of magnetoelastic and;other effects to the observed high-pressure properties of hematite.;Ovsyannikov, Sergey/J-7802-2012; Morozova, Natalia/J-3568-2013; Karkin, Alexander/J-6712-2013; Shchennikov, Vladimir/J-8533-2013;Morozova, Natalia/0000-0002-2377-1372; Karkin,;Alexander/0000-0003-0464-4762; Shchennikov, Vladimir/0000-0003-2887-1652;4;0;0;0;4;1098-0121;WOS:000311715100005;;;J;Pielawa, Susanne;Berg, Erez;Sachdev, Subir;Frustrated quantum Ising spins simulated by spinless bosons in a tilted;lattice: From a quantum liquid to antiferromagnetic order;PHYSICAL REVIEW B;86;18;184435;10.1103/PhysRevB.86.184435;NOV 30 2012;2012;We study spinless bosons in a decorated square lattice with a;near-diagonal tilt. The resonant subspace of the tilted Mott insulator;is described by an effective Hamiltonian of frustrated quantum Ising;spins on a nonbipartite lattice. This generalizes an earlier proposal;for the unfrustrated quantum Ising model in one dimension which was;realized in a recent experiment on ultracold Rb-87 atoms in an optical;lattice. Very close to diagonal tilt, we find a quantum liquid state;which is continuously connected to the paramagnet. Frustration can be;reduced by increasing the tilt angle away from the diagonal, and the;system undergoes a transition to an antiferromagnetically ordered state.;Using quantum Monte Carlo simulations and exact diagonalization, we find;that for realistic system sizes the antiferromagnetic order appears to;be quasi-one-dimensional, however, in the thermodynamic limit the order;is two-dimensional.;Sachdev, Subir/A-8781-2013;Sachdev, Subir/0000-0002-2432-7070;1;0;0;0;1;1098-0121;WOS:000311714700004;;;J;Popov, V. V.;Polischuk, O. V.;Davoyan, A. R.;Ryzhii, V.;Otsuji, T.;Shur, M. S.;Plasmonic terahertz lasing in an array of graphene nanocavities;PHYSICAL REVIEW B;86;19;195437;10.1103/PhysRevB.86.195437;NOV 30 2012;2012;We propose a novel concept of terahertz lasing based on stimulated;generation of plasmons in a planar array of graphene resonant;micro/nanocavities strongly coupled to terahertz radiation. Due to the;strong plasmon confinement and superradiant nature of terahertz emission;by the array of plasmonic nanocavities, the amplification of terahertz;waves is enhanced by many orders of magnitude at the plasmon resonance;frequencies. We show that the lasing regime is ensured by the balance;between the plasmon gain and plasmon radiative damping.;Davoyan, Artur/K-8567-2013;Davoyan, Artur/0000-0002-4662-1158;15;0;0;0;15;1098-0121;WOS:000311715000011;;;J;Romanov, Sergei G.;Vogel, Nicolas;Bley, Karina;Landfester, Katharina;Weiss, Clemens K.;Orlov, Sergej;Korovin, Alexander V.;Chuiko, Gennady P.;Regensburger, Alois;Romanova, Alexandra S.;Kriesch, Arian;Peschel, Ulf;Probing guided modes in a monolayer colloidal crystal on a flat metal;film;PHYSICAL REVIEW B;86;19;195145;10.1103/PhysRevB.86.195145;NOV 30 2012;2012;Two-dimensional slab hybrid metal-dielectric photonic crystals, which;are prepared by assembling polymer colloidal spheres into closely packed;monolayers of hexagonal symmetry on a gold-coated glass substrate, show;an improved confinement of light compared with a colloidal monolayer on;a glass substrate. We demonstrated that the optical response of such;hybrid crystals consists of diffractively coupled waveguiding modes,;Fabry-Perot resonances, and Mie resonances. Correspondingly, two major;mechanisms, namely, band transport and hopping of localized excitations,;participate in the in-plane light transport in such hybrid crystals.;Weiss, Clemens/C-9932-2009; Peschel, Ulf/C-3356-2013; Romanov, Sergei/H-6868-2013; Kriesch, Arian/A-7337-2011;Weiss, Clemens/0000-0001-8559-0385; Romanov, Sergei/0000-0003-0546-9505;;Kriesch, Arian/0000-0002-8347-0344;6;1;0;0;6;1098-0121;WOS:000311715000004;;;J;Schoop, Leslie;Muechler, Lukas;Schmitt, Jennifer;Ksenofontov, Vadim;Medvedev, Sergey;Nuss, Juergen;Casper, Frederick;Jansen, Martin;Cava, R. J.;Felser, Claudia;Effect of pressure on superconductivity in NaAlSi;PHYSICAL REVIEW B;86;17;174522;10.1103/PhysRevB.86.174522;NOV 30 2012;2012;The ternary superconductor NaAlSi, isostructural with LiFeAs, the "111";iron pnictide superconductor, is investigated under pressure. The;structure remains stable up to 15 GPa. Resistivity and susceptibility;measurements show an increase of T-c up to 2 GPa, followed by a decrease;until superconductivity disappears at 4.8 GPa. Band structure;calculations show that pressure should have a negligible effect on the;electronic structure and the Fermi surface and thus the disappearance of;superconductivity under pressure must have a different origin. We;compare the electronic structure of NaAlSi under pressure with that of;nonsuperconducting isostructural NaAlGe.;Felser, Claudia/A-5779-2009; Casper, Frederick/A-5782-2009; Nuss, Juergen/G-2711-2010; Muchler, Lukas/A-4628-2013; Schoop, Leslie/A-4627-2013;Nuss, Juergen/0000-0002-0679-0184; Schoop, Leslie/0000-0003-3459-4241;1;0;0;0;1;1098-0121;WOS:000311714600006;;;J;Schwier, E. F.;Scherwitzl, R.;Vydrova, Z.;Garcia-Fernandez, M.;Gibert, M.;Zubko, P.;Garnier, M. G.;Triscone, J. -M.;Aebi, P.;Unusual temperature dependence of the spectral weight near the Fermi;level of NdNiO3 thin films;PHYSICAL REVIEW B;86;19;195147;10.1103/PhysRevB.86.195147;NOV 30 2012;2012;We investigate the behavior of the spectral weight near the Fermi level;of NdNiO3 thin films as a function of temperature across the;metal-to-insulator transition (MIT) by means of ultraviolet;photoelectron spectroscopy. The spectral weight was found to exhibit;thermal hysteresis, similar to that of the dc conductivity. A detailed;analysis of the temperature dependence reveals two distinct regimes of;spectral loss close to the Fermi level. The temperature evolution of one;regime is found to be independent of the MIT.;Garcia-Fernandez, Mirian/B-6018-2013; Zubko, Pavlo/B-5496-2009;Zubko, Pavlo/0000-0002-7330-3163;2;0;0;0;2;1098-0121;WOS:000311715000006;;;J;Sen, Arnab;Damle, Kedar;Moessner, R.;Vacancy-induced spin textures and their interactions in a classical spin;liquid;PHYSICAL REVIEW B;86;20;205134;10.1103/PhysRevB.86.205134;NOV 30 2012;2012;Motivated by experiments on the archetypal frustrated magnet;SrCr9pGa12-9pO19 (SCGO), we study the classical Heisenberg model on the;pyrochlore slab (kagome bilayer) lattice with site dilution x = 1 - p.;This allows us to address generic aspects of the physics of nonmagnetic;vacancies in a classical spin liquid. We explicitly demonstrate that the;pure (x = 0) system remains a spin liquid down to the lowest;temperatures, with an unusual nonmonotonic temperature dependence of the;susceptibility, which even turns diamagnetic for the apical spins;between the two kagome layers. For x > 0 but small, the low-temperature;magnetic response of the system is most naturally described in terms of;the properties of spatially extended spin textures that cloak an;"orphan" S = 3/2 Cr3+ spin in direct proximity to a pair of missing;sites belonging to the same triangular simplex. In the T -> 0 limit,;these orphan-texture complexes each carry a net magnetization that is;exactly half the magnetic moment of an individual spin of the undiluted;system. Furthermore, we demonstrate that they interact via an entropic;temperature-dependent pairwise exchange interaction J(eff) (T,(r) over;right arrow) similar to T J ((r) over right arrow root T) that has a;logarithmic form at short distances and decays exponentially beyond a;thermal correlation length xi(T) similar to 1/root T. The sign of J(eff);depends on whether the two orphan spins belong to the same kagome layer;or not. We provide a detailed analytical account of these properties;using an effective field theory approach specifically tailored for the;problem at hand. These results are in quantitative agreement with;large-scale Monte Carlo numerics.;3;1;0;0;3;1098-0121;WOS:000311715100008;;;J;Solanki, Ravindra Singh;Mishra, S. K.;Senyshyn, Anatoliy;Ishii, I.;Moriyoshi, Chikako;Suzuki, Takashi;Kuroiwa, Yoshihiro;Pandey, Dhananjai;Antiferrodistortive phase transition in pseudorhombohedral;(Pb0.94Sr0.06)( Zr0.550Ti0.450)O-3: A combined synchrotron x-ray and;neutron powder diffraction study;PHYSICAL REVIEW B;86;17;174117;10.1103/PhysRevB.86.174117;NOV 30 2012;2012;The controversies about the structure of the true ground state of;pseudorhombohedral compositions of Pb(ZrxTi1-x)O-3 (PZT) are addressed;using a 6% Sr2+ substituted sample with x = 0.550. Sound velocity;measurements reveal a phase transition at T-c similar to 279 K. The;temperature dependence of full width at half maximum of (h00)(pc) peaks;and the unit cell volume also show anomalies around 279 K even though;there is no indication of any change of space group in the synchrotron;x-ray powder diffraction (SXRD) patterns. The neutron powder diffraction;patterns reveal appearance of superlattice peaks below T-c similar to;279 K, confirming the existence of an antiferrodistortive phase;transition. The Rietveld analysis of the room-temperature and;low-temperature SXRD data below T-c shows that the structure corresponds;to single monoclinic phase in the Cm space group while the analysis of;neutron powder diffraction data reveals that the structure of the;ground-state phase below T-c corresponds to the Cc space group. Our;analysis shows that the structural models for the ground-state phase;based on the R3c space group with or without the coexistence of the;room-temperature monoclinic phase in the Cm space group can be rejected.;SOLANKI, RAVINDRA /H-7221-2013; Senyshyn, Anatoliy/C-8267-2014;Senyshyn, Anatoliy/0000-0002-1473-8992;3;0;0;0;3;1098-0121;WOS:000311714600001;;;J;Steinke, N. -J.;Moore, T. A.;Mansell, R.;Bland, J. A. C.;Barnes, C. H. W.;Nonuniversal dynamic magnetization reversal in the Barkhausen-dominated;and mesofrequency regimes;PHYSICAL REVIEW B;86;18;184434;10.1103/PhysRevB.86.184434;NOV 30 2012;2012;Dynamic magnetization reversal in the mesofrequency range is studied by;ac magneto-optical Kerr effect (ac-MOKE) and ac anisotropic;magnetoresistance (ac-AMR) magnetometry in a series of epitaxial and;polycrystalline thin magnetic films. The dynamic coercive field was;found to scale as a power law with scaling exponents <= 1/2 depending on;the ferromagnetic material. In addition, there is a low sweep rate;regime in which the dynamic coercivity reaches a minimum. These findings;are explained in the context of reversal proceeding by motion of a few;domain walls (similar to 1). At dc and low field sweep rates the;reversal proceeds between local pinning sites via Barkhausen avalanches;and the overall reversal speed is strongly dependent on the field sweep;rate. At higher field sweep rates a continuous motion regime is entered;in which the reversal velocity depends linearly on the applied field;sweep rate and only an average pinning force is experienced by the wall.;The fit of the dynamic coercivity vs applied field sweep rate allows the;determination of the average nonlocal pinning field. The nonuniversal;scaling exponent can be explained using recently developed models and;introducing a field rate-dependent number of active domain walls.;Mansell, Rhodri/A-1450-2013;2;0;0;0;2;1098-0121;WOS:000311714700003;;;J;Stoffel, M.;Fagot-Revurat, Y.;Tejeda, A.;Kierren, B.;Nicolaou, A.;Le Fevre, P.;Bertran, F.;Taleb-Ibrahimi, A.;Malterre, D.;Electron-phonon coupling on strained Ge/Si(111)-(5x5) surfaces;PHYSICAL REVIEW B;86;19;195438;10.1103/PhysRevB.86.195438;NOV 30 2012;2012;We investigate the structural and electronic properties of strained;Ge/Si(111)-(5 x 5) surfaces by means of scanning tunneling microscopy;and high-resolution angle-resolved photoemission spectroscopy. The;homogeneous (5 x 5) reconstructed overlayers are characterized by three;electronic surface states, similar to the Si(111)-(7 x 7) surface. The;dispersion of the dangling bond related surface state exhibits the same;periodicity as that of the (5 x 5) reconstruction. Moreover, a careful;analysis of the shape and width of this surface state provides striking;evidence of electron-phonon coupling at low temperatures. By considering;the spectral function within a simple Debye model, we determine both the;Debye energy and the electron-phonon coupling strength. The latter value;is further confirmed by analyzing the temperature-dependent phonon;broadening of the dangling bond related surface state linewidth.;BERTRAN, Francois/B-7515-2008; Tejeda, Antonio/C-4711-2014;BERTRAN, Francois/0000-0002-2416-0514; Tejeda,;Antonio/0000-0003-0125-4603;1;0;0;0;1;1098-0121;WOS:000311715000012;;;J;Turek, I.;Kudrnovsky, J.;Carva, K.;Magnetic anisotropy energy of disordered tetragonal Fe-Co systems from;ab initio alloy theory;PHYSICAL REVIEW B;86;17;174430;10.1103/PhysRevB.86.174430;NOV 30 2012;2012;We present results of systematic fully relativistic first-principles;calculations of the uniaxial magnetic anisotropy energy (MAE) of a;disordered and partially ordered tetragonal Fe-Co alloy using the;coherent potential approximation (CPA). This alloy has recently become a;promising system for thin ferromagnetic films with a perpendicular;magnetic anisotropy. We find that existing theoretical approaches to;homogeneous random bulk Fe-Co alloys, based on a simple virtual crystal;approximation (VCA), overestimate the maximum MAE values obtained in the;CPA by a factor of 4. This pronounced difference is ascribed to the;strong disorder in the minority spin channel of real alloys, which is;neglected in the VCA and which leads to a broadening of the d-like;eigenstates at the Fermi energy and to the reduction of the MAE. The;ordered Fe-Co alloys with a maximum L1(0)-like atomic long-range order;can exhibit high values of the MAE, which, however, get dramatically;reduced by small perturbations of the perfect order.;Carva, Karel/A-3703-2008; Turek, Ilja/G-5553-2014; KUDRNOVSKY, Josef/G-5581-2014;KUDRNOVSKY, Josef/0000-0002-9968-6748;10;0;0;0;10;1098-0121;WOS:000311714600004;;;J;Uppstu, Andreas;Harju, Ari;High-field magnetoresistance revealing scattering mechanisms in graphene;PHYSICAL REVIEW B;86;20;201409;10.1103/PhysRevB.86.201409;NOV 30 2012;2012;We show that the type of charge carrier scattering significantly affects;the high-field magnetoresistance of graphene nanoribbons. This effect;has the potential to be used in identifying the scattering mechanisms in;graphene. The results also provide an explanation for the experimentally;found, intriguing differences in the behavior of the magnetoresistance;of graphene Hall bars placed on different substrates. Additionally, our;simulations indicate that the peaks in the longitudinal resistance tend;to become pinned to fractionally quantized values, as different;transport modes have very different scattering properties.;Harju, Ari/C-2828-2009;Harju, Ari/0000-0002-2233-2896;1;0;0;0;1;1098-0121;WOS:000311715100004;;;J;White, Alexander J.;Sukharev, Maxim;Galperin, Michael;Molecular nanoplasmonics: Self-consistent electrodynamics in;current-carrying junctions;PHYSICAL REVIEW B;86;20;205324;10.1103/PhysRevB.86.205324;NOV 30 2012;2012;We consider a biased molecular junction subjected to an external;time-dependent electromagnetic field. We discuss local field formation;due to both surface plasmon-polariton excitations in the contacts and;the molecular response. Employing realistic parameters we demonstrate;that such self-consistent treatment is crucial for the proper;description of the junction transport characteristics.;White, Alexander/D-8754-2014;White, Alexander/0000-0002-7771-3899;3;0;0;0;3;1098-0121;WOS:000311715100010;;;J;Wierschem, Keola;Kato, Yasuyuki;Nishida, Yusuke;Batista, Cristian D.;Sengupta, Pinaki;Magnetic and nematic orderings in spin-1 antiferromagnets with;single-ion anisotropy;PHYSICAL REVIEW B;86;20;201108;10.1103/PhysRevB.86.201108;NOV 30 2012;2012;We study a spin-1 Heisenberg model with exchange interaction J, uniaxial;single-ion exchange anisotropy D, and Zeeman coupling to a magnetic;field B parallel to the symmetry axis. We compute the (D/J, B/J) quantum;phase diagram for square and simple cubic lattices by combining;analytical and quantum Monte Carlo approaches, and find a transition;between XY antiferromagnetic and ferronematic phases that spontaneously;break the U(1) symmetry of the model. In the language of bosonic gases,;this is a transition between a Bose-Einstein condensate (BEC) of single;bosons and a BEC of pairs. Our work opens up new avenues for measuring;this transition in real magnets.;8;0;0;0;8;1098-0121;WOS:000311715100001;;;J;Wu, Chien-Te;Valls, Oriol T.;Halterman, Klaus;Proximity effects in conical-ferromagnet/superconductor bilayers;PHYSICAL REVIEW B;86;18;184517;10.1103/PhysRevB.86.184517;NOV 30 2012;2012;We present a study of various aspects of proximity effects in F/S;(ferromagnet/superconductor) bilayers, where F has a spiral magnetic;texture such as that found in holmium, erbium, and other materials, and;S is a conventional s-wave superconductor. We numerically solve the;Bogoliubov-de Gennes (BdG) equations self-consistently and use the;solutions to compute physical quantities relevant to the proximity;effects in these bilayers. We obtain the relation between the;superconducting transition temperature T-c and the thicknesses d(F) of;the magnetic layer by solving the linearized BdG equations. We find that;the T-c (d(F)) curves include multiple oscillations. Moreover, the;system may be reentrant not only with d(F), as is the case when the;magnet is uniform, but also with temperature T : the superconductivity;disappears in certain ranges of d(F) or T. The T reentrance reported;here occurs when d(F) is larger than the spatial period of the conical;exchange field. We compute the condensation free energies and entropies;from the full BdG equations and find the results are in agreement with;T-c values obtained by linearization. The inhomogeneous nature of the;magnet makes it possible for all odd triplet pairing components to be;induced. We have investigated their properties and found that, as;compared to the singlet amplitude, both the m = 0 and +/- 1 triplet;components exhibit long-range penetration. For nanoscale bilayers, the;proximity lengths for both layers are also obtained. These lengths;oscillate with d(F) and they are found to be long range on both sides.;These results are shown to be consistent with recent experiments. We;also calculate the reverse proximity effect described by the;three-dimensional local magnetization, and the local density of states,;which reveals important energy-resolved signatures associated with the;proximity effects.;6;0;0;0;6;1098-0121;WOS:000311714700005;;;J;Altarelli, M.;Kurta, R. P.;Vartanyants, I. A.;X-ray cross-correlation analysis and local symmetries of disordered;systems: General theory (vol 82, 104207, 2010);PHYSICAL REVIEW B;86;17;179904;10.1103/PhysRevB.86.179904;NOV 29 2012;2012;1;0;0;0;1;1098-0121;WOS:000311693600006;;;J;Beheshtian, J.;Sadeghi, A.;Neek-Amal, M.;Michel, K. H.;Peeters, F. M.;Induced polarization and electronic properties of carbon-doped boron;nitride nanoribbons;PHYSICAL REVIEW B;86;19;195433;10.1103/PhysRevB.86.195433;NOV 29 2012;2012;The electronic properties of boron nitride nanoribbons (BNNRs) doped;with a line of carbon atoms are investigated using density functional;calculations. By replacing a line of alternating B and N atoms with;carbons, three different configurations are possible depending on the;type of the atoms which bond to the carbons. We found very different;electronic properties for these configurations: (i) the NCB arrangement;is strongly polarized with a large dipole moment having an unexpected;direction, (ii) the BCB and NCN arrangements are nonpolar with zero;dipole moment, (iii) the doping by a carbon line reduces the band gap;regardless of the local arrangement of the borons and the nitrogens;around the carbon line, and (iv) the polarization and energy gap of the;carbon-doped BNNRs can be tuned by an electric field applied parallel to;the carbon line. Similar effects were found when either an armchair or;zigzag line of carbon was introduced.;Sadeghi, Ali/D-1554-2013;8;0;0;0;8;1098-0121;WOS:000311694200006;;;J;Chi, Hang;Kim, Hyoungchul;Thomas, John C.;Su, Xianli;Stackhouse, Stephen;Kaviany, Massoud;Van der Ven, Anton;Tang, Xinfeng;Uher, Ctirad;Configuring pnicogen rings in skutterudites for low phonon conductivity;PHYSICAL REVIEW B;86;19;195209;10.1103/PhysRevB.86.195209;NOV 29 2012;2012;Dominant heat-carrying modes in skutterudites are associated with;vibrations of the pnicogen rings. Apart from filling the structural;cages with foreign species, disrupting the pnicogen ring structure by;substitutional alloying should be an effective approach to reduce;thermal conductivity. In this paper we explore alloying configurations;of pnicogen rings (Sb rings in the case of CoSb3) that yield;particularly low values of the thermal conductivity. We find that IV-VI;double substitution (replacing two Sb atoms with one atom each from the;column IV and column VI elements to achieve an average charge of two Sb;atoms) is a very effective approach. Our ab initio calculations, in;combination with a cluster expansion, have allowed us to identify stable;alloy configurations on the Sb rings. Subsequent molecular and lattice;dynamics simulations on low energy configurations establish the range of;atomic displacement parameters and values of the thermal conductivity.;Theoretical results are in good agreement with our experimental thermal;conductivity values. Combining both approaches of compensated double;substitution and filling of structural cages should be an effective way;of improving the thermoelectric figure of merit of skutterudites.;Su, Xianli/A-9685-2012; Chi, Hang/F-1537-2011; Thomas, John/A-2764-2009; Kim, Hyoungchul/F-2557-2014;Chi, Hang/0000-0002-1299-1150; Thomas, John/0000-0002-3162-0152; Kim,;Hyoungchul/0000-0003-3109-660X;8;0;0;0;8;1098-0121;WOS:000311694200003;;;J;Fortmann, C.;Niemann, C.;Glenzer, S. H.;Theory of x-ray scattering in high-pressure electrides;PHYSICAL REVIEW B;86;17;174116;10.1103/PhysRevB.86.174116;NOV 29 2012;2012;We report on a theoretical model for the calculation of x-ray scattering;from high-pressure electrides. By treating interstitial electrons as;effective anions forming a sublattice within the crystal, we explicitly;account for Bragg reflections from the sublattice as well as for;scattering interferences between the ion lattice and the anion;sublattice. The additional reflections and interferences lead to;significant modifications of the static structure factor as compared to;the pure lattices. Our results are important for accurate calculations;of material properties in the high-pressure phase and allow for direct;experimental verification of electride phases in matter at ultrahigh;pressures through angle-resolved x-ray scattering.;2;0;0;0;2;1098-0121;WOS:000311693600001;;;J;Guclu, Caner;Campione, Salvatore;Capolino, Filippo;Hyperbolic metamaterial as super absorber for scattered fields generated;at its surface;PHYSICAL REVIEW B;86;20;205130;10.1103/PhysRevB.86.205130;NOV 29 2012;2012;We show that hyperbolic metamaterials (HMs) that exhibit hyperbolic;wave-vector dispersion diagrams possess two important features related;to super absorption: The total power scattered by a nanosphere is (i);greatly enhanced when placed at the HM surface, compared to other;material surfaces, and (ii) almost totally directed into the HM. We show;that these two features are peculiar of HM interfaces, and we support;them using a spectral theory study of transverse-electric and magnetic;waves scattered by a subwavelength nanosphere. We analyze the;nanosphere's scattered power absorbed by various substrate;configurations. We also consider various nanosphere materials.;22;0;0;0;22;1098-0121;WOS:000311694300002;;;J;Hebbache, M.;Entanglement of electron spins and geometric phases in the diamond color;center coupled to the P1 center;PHYSICAL REVIEW B;86;19;195316;10.1103/PhysRevB.86.195316;NOV 29 2012;2012;Impurity spins in semiconductors are potential quantum bits.;Entanglement and topological phases are key resources in quantum;computation. We prove that the coupled electron spins carried by a;diamond nitrogen-vacancy color center (NV-) and a single substitutional;nitrogen impurity (P1 center) are entangled in the immediate vicinity of;the level anticrossing that appears in the Zeeman energy diagram at;about 500 G. We also determine the Aharonov-Anandan, Berry, and marginal;geometric phases that can be accumulated by the state vectors of this;spin system when it is magnetically transported around a closed path. At;the resonance where the gap between two energy levels is minimum, the;geometric phases undergo discontinuities, and the entanglement of the;two electron spins is maximal.;2;0;0;0;2;1098-0121;WOS:000311694200004;;;J;Kerdsongpanya, Sit;Alling, Bjorn;Eklund, Per;Effect of point defects on the electronic density of states of ScN;studied by first-principles calculations and implications for;thermoelectric properties;PHYSICAL REVIEW B;86;19;195140;10.1103/PhysRevB.86.195140;NOV 29 2012;2012;We have investigated the effect of defects and impurities on the;electronic density of states of scandium nitride using first-principles;calculations with the generalized gradient approximation and hybrid;functionals for the exchange correlation energy. Our results show that;Sc and N vacancies can introduce asymmetric peaks in the density of;states close to the Fermi level. We also find that the N vacancy states;are sensitive to total electron concentration of the system due to their;possibility for spin polarization. Substitutional point defects shift;the Fermi level in the electronic band according to their valence but do;not introduce sharp features. The energetics and electronic structure of;defect pairs are also studied. By using hybrid functional calculations,;a correct description of the band gap of scandium nitride is obtained.;Our results envisage ways for improving the thermoelectric figure of;merit of ScN by electronic structure engineering through stoichiometry;tuning and doping.;Eklund, Per/B-7677-2011; Alling, Bjorn/I-3193-2012;Eklund, Per/0000-0003-1785-0864; Alling, Bjorn/0000-0001-5863-5605;8;0;0;0;8;1098-0121;WOS:000311694200001;;;J;Kim, Jiseok;Fischetti, Massimo V.;Aboud, Shela;Structural, electronic, and transport properties of silicane nanoribbons;PHYSICAL REVIEW B;86;20;205323;10.1103/PhysRevB.86.205323;NOV 29 2012;2012;Silicane ribbons do not suffer from aromatic dependence of the band gap;making them a more promising candidate for near-term nanoelectronic;application compared to armchair graphene nanoribbons. The structural,;electronic, and transport properties of free-standing sp(3)-hybridized;armchair- and zigzag-edge silicane nanoribbons have been investigated;using ab initio and nonlocal empirical pseudopotential calculations.;Under ambient conditions, two-dimensional silicane sheets will;spontaneously break into stable one-dimensional ribbons similar to;density functional theory studies of graphene ribbons. The calculated;low-field electron mobility and ballistic conductance show a strong edge;dependence, due to differences in the effective mass and momentum;relaxation rates along the two transport directions. The mobility in;zigzag-edge ribbons is found to be approximately twenty times higher;than in armchair-edge ribbons.;7;0;0;0;7;1098-0121;WOS:000311694300004;;;J;Kim, Kyou-Hyun;Payne, David A.;Zuo, Jian-Min;Symmetry of piezoelectric (1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (x=0.31);single crystal at different length scales in the morphotropic phase;boundary region;PHYSICAL REVIEW B;86;18;184113;10.1103/PhysRevB.86.184113;NOV 29 2012;2012;We use probes of three different length scales to examine symmetry of (1;- x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) single crystals in the;morphotropic phase boundary (MPB) region at composition x = 0.31;(PMN-31% PT). On the macroscopic scale, x-ray diffraction (XRD) shows a;mixture of strong and weak diffraction peaks of different widths. The;closest match to XRD peak data is made with monoclinic Pm (M-C);symmetry. On the local scale of a few nanometers, convergent beam;electron diffraction (CBED) studies, with a 1.6-nm electron probe,;reveal no obvious symmetry. These CBED experimental patterns can be;approximately matched with simulations based on monoclinic symmetry,;which suggests locally distorted monoclinic structure. A monoclinic Cm;(M-A or M-B)-like symmetry could also be obtained from certain regions;of the crystal by using a larger electron probe size of several tens of;nanometers in diameter. Thus the monoclinic symmetry of single crystal;PMN-31% PT is developed only in parts of the crystal by averaging over;locally distorted structure on the scale of few tens of nanometers. The;macroscopic symmetry observed by XRD is a result of averaging from the;local structure in PMN-31% PT single crystal. The lack of local symmetry;at a few nanometers scale suggests that the polarization switching;results from a change in local displacements, which are not restricted;to specific symmetry planes or directions.;2;0;0;0;2;1098-0121;WOS:000311693900002;;;J;Kossacki, P.;Faugeras, C.;Kuehne, M.;Orlita, M.;Mahmood, A.;Dujardin, E.;Nair, R. R.;Geim, A. K.;Potemski, M.;Circular dichroism of magnetophonon resonance in doped graphene;PHYSICAL REVIEW B;86;20;205431;10.1103/PhysRevB.86.205431;NOV 29 2012;2012;The polarization-resolved Raman-scattering response due to E-2g phonons;in monolayer graphene has been investigated in magnetic fields up to 29;T. The hybridization of the E-2g phonon is only observed with the;fundamental inter-Landau-level excitation (involving the n = 0 Landau;level) and in just one of the two configurations of the circularly;cross-polarized excitation and scattered light. This polarization;anisotropy of the magnetophonon resonance is shown to be inherent to;relatively strongly doped graphene samples with carrier concentrations;typical for graphene deposited on Si/SiO2 substrates.;Dujardin, Erik/A-2748-2010; Raveendran Nair, Rahul/G-5839-2010; Orlita, Milan/H-1130-2014;Dujardin, Erik/0000-0001-7242-9250;;3;0;0;0;3;1098-0121;WOS:000311694300005;;;J;Kostylev, M.;Stashkevich, A. A.;Roussigne, Y.;Grigoryeva, N. A.;Mistonov, A. A.;Menzel, D.;Sapoletova, N. A.;Napolskii, K. S.;Eliseev, A. A.;Lukashin, A. V.;Grigoriev, S. V.;Samarin, S. N.;Microwave properties of Ni-based ferromagnetic inverse opals;PHYSICAL REVIEW B;86;18;184431;10.1103/PhysRevB.86.184431;NOV 29 2012;2012;Investigations of microwave properties of Ni-based inverse ferromagnetic;opal-like film with the [111] axis of the fcc structure along the normal;direction to the film have been carried out in the 2-18 GHz frequency;band. We observed multiple spin wave resonances for the magnetic field;applied perpendicular to the film, i.e., along the [111] axis of this;artificial crystal. For the field applied in the film plane, a broad;band of microwave absorption is observed, which does not contain a fine;structure. The field ranges of the responses observed are quite;different for these two magnetization directions. This suggests a;collective magnetic ground state or shape anisotropy and collective;microwave dynamics for this foam-like material. This result is in;agreement with SQUID measurements of hysteresis loops for the material.;Two different models for this collective behavior are suggested that;satisfactorily explain the major experimental results.;Lukashin, Alexey/F-6746-2013; Mistonov, Alexander/H-2098-2013; Grigoryeva, Natalia/K-2253-2013; Kostylev, Mikhail/H-5214-2014;Mistonov, Alexander/0000-0003-0138-3579; Grigoryeva,;Natalia/0000-0002-9910-6192;;1;0;0;0;1;1098-0121;WOS:000311693900004;;;J;Kvashnin, Y. O.;Khmelevskyi, S.;Kudrnovsky, J.;Yaresko, A. N.;Genovese, L.;Bruno, P.;Noncollinear magnetic ordering in compressed FePd3 ordered alloy: A;first principles study;PHYSICAL REVIEW B;86;17;174429;10.1103/PhysRevB.86.174429;NOV 29 2012;2012;By means of ab initio calculations based on the density functional;theory we investigated the magnetic phase diagram of ordered FePd3 alloy;as a function of external pressure. Considering several magnetic;configurations we concluded that the system under pressure has a;tendency toward noncollinear spin alignment. Analysis of the Heisenberg;exchange parameters J(ij) revealed strong dependence of iron-iron;magnetic couplings on polarization of Pd atoms. To take into account;that effect we built an extended Heisenberg model with higher order;(biquadratic) terms. Minimizing the energy of this Hamiltonian, fully;parametrized using the results of ab initio calculations, we found a;candidate for a ground state of compressed FePd3, which can be seen as;two interpenetrating "triple-Q" phases.;Genovese, Luigi/C-5937-2011; Bruno, Patrick/C-9159-2009; KUDRNOVSKY, Josef/G-5581-2014;Genovese, Luigi/0000-0003-1747-0247; Bruno, Patrick/0000-0002-2574-1943;;KUDRNOVSKY, Josef/0000-0002-9968-6748;1;0;0;0;1;1098-0121;WOS:000311693600004;;;J;Li, Wu;Lindsay, L.;Broido, D. A.;Stewart, Derek A.;Mingo, Natalio;Thermal conductivity of bulk and nanowire Mg2SixSn1-x alloys from first;principles;PHYSICAL REVIEW B;86;17;174307;10.1103/PhysRevB.86.174307;NOV 29 2012;2012;The lattice thermal conductivity (kappa) of the thermoelectric;materials, Mg2Si, Mg2Sn, and their alloys, are calculated for bulk and;nanowires, without adjustable parameters. We find good agreement with;bulk experimental results. For large nanowire diameters, size effects;are stronger for the alloy than for the pure compounds. For example, in;200 nm diameter nanowires kappa is lower than its bulk value by 30%,;20%, and 20% for Mg2Si0.6Sn0.4, Mg2Si, and Mg2Sn, respectively. For;nanowires less than 20 nm thick, the relative decrease surpasses 50%,;and it becomes larger in the pure compounds than in the alloy. At room;temperature, kappa of Mg2SixSn1-x is less sensitive to nanostructuring;size effects than SixGe1-x, but more sensitive than PbTexSe1-x. This;suggests that further improvement of Mg2SixSn1-x as a nontoxic;thermoelectric may be possible.;Lindsay, Lucas/C-9221-2012; Stewart, Derek/B-6115-2008;25;1;0;0;25;1098-0121;WOS:000311693600002;;;J;Niklasson, Anders M. N.;Cawkwell, Marc J.;Fast method for quantum mechanical molecular dynamics;PHYSICAL REVIEW B;86;17;174308;10.1103/PhysRevB.86.174308;NOV 29 2012;2012;As the processing power available for scientific computing grows,;first-principles Born-Oppenheimer molecular dynamics simulations are;becoming increasingly popular for the study of a wide range of problems;in materials science, chemistry, and biology. Nevertheless, the;computational cost of Born-Oppenheimer molecular dynamics still remains;prohibitively large for many potential applications. Here we show how to;avoid a major computational bottleneck: the self-consistent-field;optimization prior to force calculations. The optimization-free quantum;mechanical molecular dynamics method gives trajectories that are almost;indistinguishable from an "exact" microcanonical Born-Oppenheimer;molecular dynamics simulation even when low-prefactor linear scaling;sparse matrix algebra is used. Our findings show that the computational;gap between classical and quantum mechanical molecular dynamics;simulations can be significantly reduced.;4;0;0;0;4;1098-0121;WOS:000311693600003;;;J;Ong, Zhun-Yong;Fischetti, Massimo V.;Theory of interfacial plasmon-phonon scattering in supported graphene;(vol 86, 165422, 2012);PHYSICAL REVIEW B;86;19;199904;10.1103/PhysRevB.86.199904;NOV 29 2012;2012;Ong, Zhun-Yong/B-9486-2013;Ong, Zhun-Yong/0000-0003-2668-6453;6;0;0;0;6;1098-0121;WOS:000311694200007;;;J;Per, Manolo C.;Snook, Ian K.;Russo, Salvy P.;Efficient calculation of unbiased expectation values in diffusion;quantum Monte Carlo;PHYSICAL REVIEW B;86;20;201107;10.1103/PhysRevB.86.201107;NOV 29 2012;2012;Despite the proven utility of quantum Monte Carlo methods in addressing;the quantum many-body problem, many important observables are difficult;to calculate due to the presence of large, and sometimes divergent,;statistical errors. The present state of the art allows the construction;of renormalized estimators which result in finite variances, but which;invariably include some systematic bias. We present a simple method for;calculating unbiased expectation values of local operators in the;diffusion quantum Monte Carlo method which is applicable to both bare;and renormalized estimators, allowing the accurate calculation of;important properties such as forces.;snook, ian/A-3427-2009; Per, Manolo/C-3680-2011;1;0;0;0;1;1098-0121;WOS:000311694300001;;;J;Simonson, J. W.;Smith, G. J.;Post, K.;Pezzoli, M.;Kistner-Morris, J. J.;McNally, D. E.;Hassinger, J. E.;Nelson, C. S.;Kotliar, G.;Basov, D. N.;Aronson, M. C.;Magnetic and structural phase diagram of CaMn2Sb2;PHYSICAL REVIEW B;86;18;184430;10.1103/PhysRevB.86.184430;NOV 29 2012;2012;On the basis of magnetic, transport, and optical measurements performed;on single crystals, we report CaMn2Sb2 to be an antiferromagnetic;insulator that exhibits weak ferromagnetic order above the Neel;temperature. Magnetic susceptibility measurements reveal the magnitude;of the high-temperature Curie-Weiss moment to be only half as large as;the ground-state ordered moment, while electronic-structure calculations;based on crystallographic measurements suggest a crystal-field-induced;spin-state transition does not occur. The antiferromagnetic state is;relatively insensitive to both doping and modest pressures, while the;ferromagnetism can be readily tuned by either. Infrared transmission and;pressure-dependent resistivity measurements suggest proximity to an;electronic delocalization transition. We suggest the ferromagnetic state;may be the signature of magnetic polarons.;1;1;0;0;1;1098-0121;WOS:000311693900003;;;J;Stishov, Sergei M.;Petrova, Alla E.;Sidorov, Vladimir A.;Menzel, Dirk;Self-doping effects in cobalt silicide CoSi: Electrical, magnetic,;elastic, and thermodynamic properties (vol 86, 064433, 2012);PHYSICAL REVIEW B;86;17;179903;10.1103/PhysRevB.86.179903;NOV 29 2012;2012;0;0;0;0;0;1098-0121;WOS:000311693600005;;;J;Thede, M.;Xiao, F.;Baines, Ch.;Landee, C.;Morenzoni, E.;Zheludev, A.;Ordering in weakly coupled random singlet spin chains;PHYSICAL REVIEW B;86;18;180407;10.1103/PhysRevB.86.180407;NOV 29 2012;2012;The influence of bond randomness on long-range magnetic ordering in the;weakly coupled S = 1/2 antiferromagnetic spin chain materials;Cu(py)(2)(Cl1-xBrx)(2) is studied by muon spin rotation and bulk;measurements. Disorder is found to have a strong effect on the ordering;temperature T-N, and an even stronger one on the saturation;magnetization m(0), but considerably more so in the effectively;lower-dimensional Br-rich materials. The observed behavior is attributed;to random singlet ground states of individual spin chains, but remains;in contradiction with chain mean-field theory [Joshi and Yang, Phys.;Rev. B 67, 174403 (2003)] predictions. In this context, we discuss the;possibility of a universal distribution of ordered moments in the weakly;coupled random singlet chains model.;Thede, Matthias/L-2975-2013;4;0;0;0;4;1098-0121;WOS:000311693900001;;;J;Usov, V.;Stoyanov, S.;Coileain, C. O.;Toktarbaiuly, O.;Shvets, I. V.;Antiband instability on vicinal Si(111) under the condition of;diffusion-limited sublimation;PHYSICAL REVIEW B;86;19;195317;10.1103/PhysRevB.86.195317;NOV 29 2012;2012;In this paper, we investigate the antiband instability on vicinal;Si(111) surfaces with different angles of misorientation. It is known;that prolonged direct current-annealing of Si(111) results in the;formation of antibands; i.e., the step bunches with the opposite slope;to the primary bunches. We provide a theoretical description of antiband;formation via the evolution of the atomic steps' shape. We also derive a;criterion for the onset of the antiband instability under the conditions;of sublimation controlled by slow adatom surface diffusion. We examine;this criterion experimentally by studying the initial stage of the;antiband formation at a constant temperature of 1270 degrees C while;systematically varying the applied electromigration field. The;experiment strongly supports the validity of the derived theoretical;criterion and indicates the importance of accounting for the factor of;critical field in the theoretical modeling of step bunching or antiband;instabilities. Deduced from the comparison of theory and experiment, the;Si surface atoms' effective charge cannot exceed double the elementary;charge, set by the lower limit of kinetic characteristic length d(s) =;0.3 nm. Using d(s) = 1.7 - 4.5 nm draws values of the effective charge;in line with the values reported in earlier studies.;Shvets, Igor/J-8710-2013;0;0;0;0;0;1098-0121;WOS:000311694200005;;;J;Weber, Cedric;Mila, Frederic;Anticollinear magnetic order induced by impurities in the frustrated;Heisenberg model of pnictides;PHYSICAL REVIEW B;86;18;184432;10.1103/PhysRevB.86.184432;NOV 29 2012;2012;We present Monte Carlo simulations for a classical antiferromagnetic;Heisenberg model with both nearest (J(1)) and next-nearest (J(2));exchange couplings on the square lattice in the presence of nonmagnetic;impurities. We show that the order-by-disorder entropy selection,;associated with the Ising-like phase transition that appears for;J(2)/J(1) > 1/2 in the pure spin model, is quenched at low temperature;due to the presence of nonmagnetic impurities. Evidence that a new;competing order is stabilized around the impurities and in turn induces;a reentrance phase transition is reported. Implications for local;magnetic measurement of the parent compound of iron pnictides are;briefly discussed.;Weber, Cedric/D-5027-2014;Weber, Cedric/0000-0002-6989-2700;4;0;0;0;4;1098-0121;WOS:000311693900005;;;J;Weston, L.;Cui, X. Y.;Delley, B.;Stampfl, C.;Band offsets and polarization effects in wurtzite ZnO/Mg0.25Zn0.75O;superlattices from first principles;PHYSICAL REVIEW B;86;20;205322;10.1103/PhysRevB.86.205322;NOV 29 2012;2012;Using first-principles calculations, we investigate the band offsets,;built-in electric fields, and band gaps of (0001)-oriented wurtzite;ZnO/Mg0.25Zn0.75O superlattices, including the dependence on;superlattice geometry and strain. Significant built-in electric fields;form inside the quantum-well region that are found to be tunable over;the range 0.24 MV/cm <= E-w <= 0.63 MV/cm, and potentially up to 1MV/cm;by varying the relative width of the well and barrier regions. The;valence band offset at the ZnO/Mg0.25Zn0.75O interface is calculated to;be 0.25-0.26 eV which, in contrast to the "common anion rule," is a;significant portion of the total band offset, and this is in support of;recent experiment. Calculated values for the valence band offset were;found to be insensitive to variations in superlattice geometry and;strain. The band gap of the superlattice is determined by the competing;effects of quantum confinement and the quantum-confined Stark effect,;with the former being more dominant for the systems investigated. These;findings will be useful in the design and optimization of ZnO/MgxZn1-xO;superlattices for electronics and optoelectronics applications.;Delley, Bernard/E-1336-2014;Delley, Bernard/0000-0002-7020-2869;3;0;1;0;4;1098-0121;WOS:000311694300003;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;PHYSICAL REVIEW B;86;19;195141;10.1103/PhysRevB.86.195141;NOV 29 2012;2012;We perform realistic first-principles calculations of iron chalcogenides;and ruthenate-based materials to identify experimental signatures of;Hund's-coupling-induced correlations in these systems. We find that FeTe;and KxFe2-yAs2 display unusual orbital-dependent fractional power-law;behavior in their quasiparticle self-energy and optical conductivity, a;phenomenon first identified in SrRuO3. Strong incoherence in the;paramagnetic state of these materials results in electronic states;hidden to angle-resolved photoemission spectroscopy which reemerge at;low temperatures. We identify the effective low-energy Hamiltonian;describing these systems and show that these anomalies are not;controlled by the proximity to a quantum critical point but result from;coexistence of fast quantum mechanical orbital fluctuations and slow;spin fluctuations.;Yin, Zhiping/G-3949-2012;Yin, Zhiping/0000-0001-8679-5251;10;0;0;0;10;1098-0121;WOS:000311694200002;;;J;Kumar, A.;Fennie, C. J.;Rabe, K. M.;Spin-lattice coupling and phonon dispersion of CdCr2O4 from first;principles;PHYSICAL REVIEW B;86;18;184429;10.1103/PhysRevB.86.184429;NOV 28 2012;2012;First-principles calculations are used to investigate the effects of;magnetic ordering on the minimum-energy structure and on the full phonon;dispersion relation of CdCr2O4, focusing on the changes through the;coupled magnetic/structural transition which shows relief of the;geometric frustration of the antiferromagnetic ordering on the;pyrochlore lattice. We computed the full phonon dispersion relations for;the ferromagnetic and antiferromagnetic orderings in cubic and;tetragonal structures of CdCr2O4. We extracted the phonon dispersion for;the cubic paramagnetic phase and found that it compares wellwith the;experimental results. The AFM ordering is seen to lower the symmetry and;induce a lattice distortion comparable in magnitude to that observed in;the transition. While the spin-phonon couplings are large for modes;which involve displacement of the Cr atoms, there are no unstable modes;at any point in the Brillouin zone for either of the magnetic orderings;considered, and thus we conclude that the phase transition is driven not;by spin-phonon coupling, but by the atomic forces and stresses induced;by the magnetic order. Finally, by comparison of the phonon frequencies;for structures with different magnetic orderings and structural;distortions, we find that the spin-phonon coupling, rather than the;coupling of the phonons to the structural change, is the dominant factor;in the observed changes of phonon frequencies through the phase;transition.;Kumar, Anil/A-9834-2013;Kumar, Anil/0000-0002-4901-8987;1;0;0;0;1;1098-0121;WOS:000311604700002;;;J;Lin, Shi-Zeng;Bulaevskii, Lev N.;Batista, Cristian D.;Vortex dynamics in ferromagnetic superconductors: Vortex clusters,;domain walls, and enhanced viscosity;PHYSICAL REVIEW B;86;18;180506;10.1103/PhysRevB.86.180506;NOV 28 2012;2012;We demonstrate that there is a long-range vortex-vortex attraction in;ferromagnetic superconductors due to polarization of the magnetic;moments. Vortex clusters are then stabilized in the ground state for low;vortex densities. The motion of vortex clusters driven by the Lorentz;force excites magnons. This regime becomes unstable at a threshold;velocity above which domain walls are generated for slow relaxation of;the magnetic moments and the vortex configuration becomes modulated.;This dynamics of vortices and magnetic moments can be probed by;transport measurements.;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;6;0;0;0;6;1098-0121;WOS:000311604700001;;;J;Wong, Chris L. M.;Law, K. T.;Majorana Kramers doublets in dx2-y2-wave superconductors with Rashba;spin-orbit coupling;PHYSICAL REVIEW B;86;18;184516;10.1103/PhysRevB.86.184516;NOV 28 2012;2012;In this work, we show that a quasi-one-dimensional d(x2-y2)-wave;superconductor with Rashba spin-orbit coupling is a DIII class,;time-reversal invariant, topological superconductor (TS), which supports;a Majorana Kramers Doublet (MKD) at each end of the TS. A MKD is a pair;of Majorana end states (MESs) protected by time-reversal symmetry (TRS).;An external magnetic field breaks TRS and drives the system from DIII to;D class in which case a single MES appears at each end of the TS. We;show that a MKD induces resonant Andreev reflection with zero-bias;conductance peak of 4e(2)/h. Experimental realizations of the proposed;model are discussed.;Law, Kam/H-1410-2011;19;1;0;0;19;1098-0121;WOS:000311604700003;;;J;De Luca, M.;Pettinari, G.;Ciatto, G.;Amidani, L.;Filippone, F.;Polimeni, A.;Fonda, E.;Boscherini, F.;Bonapasta, A. Amore;Giubertoni, D.;Knuebel, A.;Lebedev, V.;Capizzi, M.;Identification of four-hydrogen complexes in In-rich InxGa1-xN (x > 0.4);alloys using photoluminescence, x-ray absorption, and density functional;theory;PHYSICAL REVIEW B;86;20;201202;10.1103/PhysRevB.86.201202;NOV 28 2012;2012;Postgrowth hydrogen incorporation in In-rich InxGa1-xN (x > 0.4) alloys;strongly modifies the optical and structural properties of the material:;A large blueshift of the emission and absorption energies is accompanied;by a remarkable broadening of the interatomic-distance distribution, as;probed by synchrotron radiation techniques. Both effects vanish at a;finite In-concentration value (x similar to 0.5). Synergic x-ray;absorption measurements and first-principle calculations unveil two;different defective species forming upon hydrogenation: one due to the;high chemical reactivity of H, the other ascribed to mere lattice;damage. In the former species, four H atoms bind to as many N atoms, all;nearest-neighbors of a same In atom. The stability of this peculiar;complex, which is predicted to behave as a donor, stems from atomic;displacements cooperating to reduce local strain.;Fonda, Emiliano/D-9666-2011; Filippone, Francesco/I-4718-2012; Pettinari, Giorgio/M-8678-2014;Filippone, Francesco/0000-0001-5862-1115; Pettinari,;Giorgio/0000-0003-0187-3770;1;0;0;0;1;1098-0121;WOS:000311605000001;;;J;Grytsyuk, Sergiy;Peskov, Maxim V.;Schwingenschloegl, Udo;First-principles modeling of interfaces between solids with large;lattice mismatch: The prototypical CoO(111)/Ni(111) interface;PHYSICAL REVIEW B;86;17;174115;10.1103/PhysRevB.86.174115;NOV 28 2012;2012;In this work we investigate the CoO(111)/Ni(111) interface by;first-principles calculations, focusing on its structure and stability.;To satisfy the approximate 5:6 ratio of the CoO and Ni lattice;constants, we construct a supercell with 5 x 5 Co (O) and 6 x 6 Ni atoms;per layer in the bulk regions. For the interface Ni layer and the;adjacent Ni layer we consider different configurations and study the;binding energy. We show for an ideal CoO interface terminated by 5 x 5 O;atoms that the structure is more stable if there are 5 x 5 Ni atoms next;to it instead of 6 x 6 as in the bulk. In addition, we observe that a;transition layer with 31 or 33 Ni atoms located between the interface 5;x 5 Ni and bulk 6 x 6 Ni layers (which partially reflects the structures;of both these layers) enhances the stability of the CoO/Ni interface.;The electronic and magnetic modifications induced by the interface;formation are discussed.;3;0;0;0;3;1098-0121;WOS:000311604400001;;;J;Luekermann, D.;Sologub, S.;Pfnuer, H.;Klein, C.;Horn-von Hoegen, M.;Tegenkamp, C.;Scattering at magnetic and nonmagnetic impurities on surfaces with;strong spin-orbit coupling;PHYSICAL REVIEW B;86;19;195432;10.1103/PhysRevB.86.195432;NOV 28 2012;2012;Adsorption-induced reduction of surface-state conductivity in epitaxial;Bi(111) films, a prototype system with large Rashba-induced;surface-state splitting, by adsorbed atoms of Bi, Fe, and Co has been;investigated by macroscopic surface magnetotransport measurements at a;temperature of 10 K. A detailed analysis of magnetotransport, dc;transport, and Hall data reveals that the scattering efficiencies for Co;and Fe are larger by a factor of 2 than that for Bi. While for the;latter charge transfer and change of band filling near the Fermi level;are negligible, we find an increase of hole concentration upon Co and Fe;adsorption. These atoms act as acceptors and immobilize on average about;0.5 electrons per adsorbed atom. Besides the dominant classical;magnetoconductance signal the films show signatures of weak;antilocalization, reflecting the strong spin-orbit coupling in Bi(111);surface states. This behavior can be changed to weak localization by the;adsorption of high concentrations (0.1 monolayers) of magnetic;impurities (Fe, Co), similarly to results found on the topological;insulator Bi2Se3. Our results demonstrate that details of chemical bond;formation for impurities are crucial for local spin moments and;electronic scattering properties.;5;0;0;0;5;1098-0121;WOS:000311604900001;;;J;Molina-Sanchez, A.;Garcia-Cristobal, A.;Bester, G.;Semiempirical pseudopotential approach for nitride-based nanostructures;and ab initio based passivation of free surfaces;PHYSICAL REVIEW B;86;20;205430;10.1103/PhysRevB.86.205430;NOV 28 2012;2012;We present a semiempirical pseudopotential method based on screened;atomic pseudopotentials and derived from ab initio calculations. This;approach is motivated by the demand for pseudopotentials able to address;nanostructures, where ab initio methods are both too costly and;insufficiently accurate at the level of the local density approximation,;while mesoscopic effective-mass approaches are inapplicable due to the;small size of the structures along, at least, one dimension. In this;work, we improve the traditional pseudopotential method by a two-step;process: First, we invert a set of self-consistently determined screened;ab initio potentials in wurtzite GaN for a range of unit-cell volumes,;thus determining spherically symmetric and structurally averaged atomic;potentials. Second, we adjust the potentials to reproduce observed;excitation energies. We find that the adjustment represents a reasonably;small perturbation over the potential, so that the ensuing potential;still reproduces the original wave functions, while the excitation;energies are significantly improved. We furthermore deal with the;passivation of the dangling bonds of free surfaces which is relevant for;the study of nanowires and colloidal nanoparticles. We present a;methodology to derive passivant pseudopotentials from ab initio;calculations. We apply our pseudopotential approach to the exploration;of the confinement effects on the electronic structure of GaN nanowires.;Bester, Gabriel/I-4414-2012;Bester, Gabriel/0000-0003-2304-0817;1;0;0;0;1;1098-0121;WOS:000311605000005;;;J;Patel, Aavishkar A.;Dutta, Amit;Sudden quenching in the Kitaev honeycomb model: Study of defect and heat;generation;PHYSICAL REVIEW B;86;17;174306;10.1103/PhysRevB.86.174306;NOV 28 2012;2012;We study the behavior of the defect and heat densities under sudden;quenching near the quantum critical points in the two-dimensional Kitaev;honeycomb model both in the thermodynamic and nonthermodynamic limits.;We consider quenches starting from a quantum critical point into the;gapped as well as the gapless phases. We choose points on the lines of;anisotropic quantum critical points as well as different points of;intersection of these lines as the initial points from where the;quenching starts. We find that the defect and heat densities display the;expected power-law scalings along with logarithmic corrections to;scaling (or cusp singularities) in certain cases. In the vicinity of;some of the intersection points, the scaling behaviors change,;indicating an effective dimensional reduction; the scaling behavior near;these points depends on the number of critical lines crossed in the;process of quenching. All the analytical predictions are also verified;by numerical integration.;1;0;0;0;1;1098-0121;WOS:000311604400002;;;J;Raith, Martin;Stano, Peter;Fabian, Jaroslav;Theory of spin relaxation in two-electron laterally coupled Si/SiGe;quantum dots;PHYSICAL REVIEW B;86;20;205321;10.1103/PhysRevB.86.205321;NOV 28 2012;2012;Highly accurate numerical results of phonon-induced two-electron spin;relaxation in silicon double quantum dots are presented. The relaxation,;enabled by spin-orbit coupling and the nuclei of Si-29 (natural or;purified abundance), is investigated for experimentally relevant;parameters, the interdot coupling, the magnetic field magnitude and;orientation, and the detuning. We calculate relaxation rates for zero;and finite temperatures (100 mK), concluding that our findings for zero;temperature remain qualitatively valid also for 100 mK. We confirm the;same anisotropic switch of the axis of prolonged spin lifetime with;varying detuning as recently predicted in GaAs. Conditions for possibly;hyperfine-dominated relaxation are much more stringent in Si than in;GaAs. For experimentally relevant regimes, the spin-orbit coupling,;although weak, is the dominant contribution, yielding anisotropic;relaxation rates of at least two orders of magnitude lower than in GaAs.;Raith, Martin/A-3357-2011; Stano, Peter/C-3016-2013; Fabian, Jaroslav/K-1700-2013;Fabian, Jaroslav/0000-0002-3009-4525;6;0;0;0;6;1098-0121;WOS:000311605000004;;;J;Romhanyi, Judit;Penc, Karlo;Multiboson spin-wave theory for Ba2CoGe2O7: A spin-3/2 easy-plane Neel;antiferromagnet with strong single-ion anisotropy;PHYSICAL REVIEW B;86;17;174428;10.1103/PhysRevB.86.174428;NOV 28 2012;2012;We consider the square-lattice antiferromagnetic Heisenberg Hamiltonian;extended with a single-ion axial anisotropy term as a minimal model for;the multiferroic Ba2CoGe2O7. Developing a multiboson spin-wave theory,;we investigate the dispersion of the spin excitations in this spin-3/2;system. As a consequence of a strong single-ion anisotropy, a stretching;(longitudinal) spin mode appears in the spectrum. The inelastic neutron;scattering spectra of Zheludev et al. [Phys. Rev. B 68, 024428 (2003)];are successfully reproduced by the low energy modes in the multiboson;spin-wave theory, and we anticipate the appearance of the spin;stretching modes at approximate to 4 meV that can be identified using;the calculated dynamical spin structure factors. We expect the;appearance of spin stretching modes for any S > 1/2 compound where the;single-ion anisotropy is significant.;Penc, Karlo/A-3092-2011;Penc, Karlo/0000-0002-2197-1370;5;1;0;0;5;1098-0121;WOS:000311604400004;;;J;Sarmadian, N.;Saniz, R.;Lamoen, D.;Partoens, B.;Influence of Al concentration on the optoelectronic properties of;Al-doped MgO;PHYSICAL REVIEW B;86;20;205129;10.1103/PhysRevB.86.205129;NOV 28 2012;2012;We use density functional theory within the local density approximation;to investigate the structural, electronic, and optical properties of;Al-doped MgO. The concentrations considered range from 6% to 56%. In the;latter case, we also compare the optical properties of the amorphous and;crystalline phases. We find that, overall, the electronic properties of;the crystalline phases change qualitatively little with Al;concentration. On the other hand, the changes in the electronic;structure in the amorphous phase are more important, most notably;because of deep impurity levels in the band gap that are absent in the;crystalline phase. This leads to observable effects in, e.g., the;optical absorption edge and in the refractive index. Thus, the latter;can be used to characterize the crystalline to amorphous transition with;Al doping level.;0;0;0;0;0;1098-0121;WOS:000311605000003;;;J;Smadici, S.;Nelson-Cheeseman, B. B.;Bhattacharya, A.;Abbamonte, P.;Interface ferromagnetism in a SrMnO3/LaMnO3 superlattice;PHYSICAL REVIEW B;86;17;174427;10.1103/PhysRevB.86.174427;NOV 28 2012;2012;Resonant soft x-ray absorption measurements at the O K edge on a;SrMnO3/LaMnO3 superlattice show a shoulder at the energy of doped holes,;which corresponds to the main peak of resonant scattering from the;modulation in the doped hole density. Scattering line shape at the Mn;L-3,L-2 edges has a strong variation below the ferromagnetic transition;temperature. This variation has a period equal to half the superlattice;superperiod and follows the development of the ferromagnetic moment,;pointing to a ferromagnetic phase developing at the interfaces. It;occurs at the resonant energies for Mn3+ and Mn4+ valences. A model for;these observations is presented, which includes a double-exchange;two-site orbital and the variation with temperature of the hopping;frequency t(ij) between the two sites.;Bhattacharya, Anand/G-1645-2011;Bhattacharya, Anand/0000-0002-6839-6860;1;0;0;0;1;1098-0121;WOS:000311604400003;;;J;Zanotto, Simone;Degl'Innocenti, Riccardo;Xu, Ji-Hua;Sorba, Lucia;Tredicucci, Alessandro;Biasiol, Giorgio;Ultrafast optical bleaching of intersubband cavity polaritons;PHYSICAL REVIEW B;86;20;201302;10.1103/PhysRevB.86.201302;NOV 28 2012;2012;We report on the transition from the strong to the weak light-matter;coupling regime between an intersubband excitation and a photonic;crystal resonance in a nanostructured semiconductor membrane. Such a;transition is induced by varying the intensity of an ultrafast light;pulse, which is employed for pumping and probing the system eigenmodes.;The phenomenon is interpreted in terms of the saturation of the;intersubband transition due to the large number of photoexcited;electrons in the quantum well, as confirmed by a thorough analysis;performed both in frequency and time domain.;Biasiol, Giorgio/C-5465-2009;Biasiol, Giorgio/0000-0001-7974-5459;5;0;0;0;5;1098-0121;WOS:000311605000002;;;J;Ciric, L.;Sienkiewicz, A.;Gaal, R.;Jacimovic, J.;Vaju, C.;Magrez, A.;Forro, L.;Defects and localization in chemically-derived graphene;PHYSICAL REVIEW B;86;19;195139;10.1103/PhysRevB.86.195139;NOV 27 2012;2012;We have performed electron spin resonance (ESR) measurements on a large;assembly of graphene oxide (GO) and reduced graphene oxide (RGO) flakes.;In GO samples the Curie tail is coming from 1.4 x 10(18) cm(-3) of;localized spins. Although reduction of GO was expected to reestablish;the pristine properties of graphene, no Pauli-like contribution was;detected and only a low concentration of 1.2 x 10(16) cm(-3) spin;carrying defects were measured. Our study, completed by resistivity;measurements, shows that the carrier transport in RGO samples is;dominated by hopping. The incomplete reduction of GO leaves behind a;large number of defects, presumably the majority of which are ESR;silent, causing the Anderson localization of the electronic states.;Slight doping with potassium indicates the appearance of a Pauli;contribution in the spin susceptibility.;Jacimovic, Jacim/C-2674-2013;2;0;0;0;2;1098-0121;WOS:000311537100001;;;J;Dietz, O.;Stoeckmann, H. -J.;Kuhl, U.;Izrailev, F. M.;Makarov, N. M.;Doppler, J.;Libisch, F.;Rotter, S.;Surface scattering and band gaps in rough waveguides and nanowires;PHYSICAL REVIEW B;86;20;201106;10.1103/PhysRevB.86.201106;NOV 27 2012;2012;The boundaries of waveguides and nanowires have drastic influence on;their coherent scattering properties. Designing the boundary profile is;thus a promising approach for transmission and band-gap engineering with;many applications. By performing an experimental study of microwave;transmission through rough waveguides we demonstrate that a recently;proposed surface scattering theory can be employed to predict the;measured transmission properties from the boundary profiles and vice;versa. A new key ingredient of this theory is a scattering mechanism;which depends on the squared gradient of the surface profiles. We;demonstrate the nontrivial effects of this scattering mechanism by;detailed mode-resolved microwave measurements and numerical simulations.;Dietz, Otto/E-9025-2011;4;0;0;0;4;1098-0121;WOS:000311537400001;;;J;Duong, Duc T.;Toney, Michael F.;Salleo, Alberto;Role of confinement and aggregation in charge transport in;semicrystalline polythiophene thin films;PHYSICAL REVIEW B;86;20;205205;10.1103/PhysRevB.86.205205;NOV 27 2012;2012;Crystallite orientations, molecular packing disorder, and hole mobility;of poly(3-hexylthiophene) thin films that are spin casted from different;solvents are studied as a function of film thickness. Grazing incidence;x-ray diffraction reveals that films consist of an ultrathin layer of;ordered, edge-on oriented aggregates and a more disordered, face-on;oriented bulk region. Diffraction and optical absorption spectroscopy;elucidate the film-forming process. Field-effect hole mobility provides;evidence for interconnecting aggregates as the mechanism for efficient;charge transport.;12;1;0;0;12;1098-0121;WOS:000311537400002;;;J;Farrell, David E.;Wolverton, C.;Structure and diffusion in liquid complex hydrides via ab initio;molecular dynamics;PHYSICAL REVIEW B;86;17;174203;10.1103/PhysRevB.86.174203;NOV 27 2012;2012;We have used density functional theory based ab initio molecular;dynamics (AIMD) to study NaAlH4, LiBH4, LiNH2, and Li2BNH6 across a;range of temperatures, above and below the experimental melting;temperature. We have elucidated the structure, vibrational, and;diffusion characteristics of these four materials. We find: (i) In all;cases, the liquid state remains a mixture of the ions found in the solid;state. (ii) The anions remain intact on average but undergo large;deformations across the range of temperatures. (iii) In the case of;LiNH2, there is evidence that the Li+ sublattice melts before the;anionic sublattice. (iv) We find a connection between increased;anion-anion ordering and reduced anion mobility even above the;experimental melting point, due to long range Coulombic interactions;between anions. (v) Finally, we find the liquid has the same major;vibrational modes as the solid, though the lower frequency vibration and;rotation modes become more prominent with increasing temperature.;Wolverton, Christopher/B-7542-2009;1;0;0;0;1;1098-0121;WOS:000311536400001;;;J;Gebhardt, Julian;Vines, Francesc;Goerling, Andreas;Influence of the surface dipole layer and Pauli repulsion on band;energies and doping in graphene adsorbed on metal surfaces;PHYSICAL REVIEW B;86;19;195431;10.1103/PhysRevB.86.195431;NOV 27 2012;2012;The synthesis of single-layer graphene sheets on metal surfaces can be;carried out routinely nowadays. The energetic alignment of the graphene;band structure, including the position of the Dirac point relative to;the Fermi level of the metal, and subsequently, the doping level of the;graphene sheet, depends crucially on the graphene-metal distance and the;specific metal considered. These dependencies are studied with;density-functional theory considering as typical metal surfaces Au(111),;Ni(111), and Au/Ni(111). In the latter case, a single layer of gold is;intercalated between the Ni(111) surface and the graphene sheet. We show;that the energetic positions of eigenstates of helium adsorbed on a;Au(111) surface exhibit a behavior with the adsorption distance;qualitatively comparable to that of bands of physisorbed graphene. In;both cases, the distance dependence of the energy of adsorbate bands can;be explained by the effect of the surface dipole layer on the adsorbate;bands and by electrostatic interactions caused by small charge;rearrangements due to Pauli repulsion between metal surface and;graphene. These charge rearrangements are neither caused by a charge;transfer nor by chemical interactions due to conventional orbital;interaction but have the effect to reduce the overlap of the surface;charge density of the metal with the charge density of the adsorbate.;The latter effect is known as pillow effect from molecules adsorbed on;metal surfaces. Charge transfer between graphene and the metal substrate;does occur but has an opposite effect to the surface dipole layer and;Pauli repulsion, i.e., reduces the effect of the latter. For very large;adsorption distances, this charge transfer vanishes in such a way that;the Dirac point of graphene aligns with the metal Fermi energy. It is;shown that the amount and character of graphene doping can be controlled;by tuning the graphene-metal distance. For a proper description of the;involved electrostatic potentials, a finite-slab correction had to be;applied to them in order to take into account the finite size of the;metal slabs used to model the substrate.;10;0;0;0;10;1098-0121;WOS:000311537100002;;;J;Han, Jae-Ho;Lee, Hyun-Woo;Interlayer exchange coupling between next nearest neighbor layers;PHYSICAL REVIEW B;86;17;174426;10.1103/PhysRevB.86.174426;NOV 27 2012;2012;Interlayer exchange coupling (IEC) between next nearest neighbor;magnetic layers is investigated. For a multilayer system that contains;threemagnetic layers (with magnetization directionsm (m)over-cap(1),;(m)(m)over-cap(2), and (m)(m)over-cap(3), respectively) separated by two;nonmagnetic layers, the angle dependence of the coupling energy and the;thickness dependence of coupling constants were obtained. In addition to;the well known nearest neighbor IEC of the form;-(J)over-tilde(12)(m)over-cap(1) center dot (m)over-cap(2) and;-(J)over-tilde(23)(m)over-cap(2) center dot (m)over-cap(3), we find the;next nearest neighbor IEC of the form -(J);over-tilde(123)((m)over-cap(1) center dot (m)over-cap(2))((m)over-cap(2);center dot (m)over-cap(3)), which is different from the Heisenberg type;next nearest neighbor coupling -J(13)(m)over-cap(1) center dot;(m)over-cap(3). The strength of the next nearest neighbor IEC oscillates;with respect to the thickness of both magnetic and nonmagnetic layers.;The strength of the next nearest neighbor IEC is generally smaller than;the conventional nearest neighbor IEC, but is large enough to allow for;experimental detection.;Lee, Hyun-Woo/B-8995-2008;Lee, Hyun-Woo/0000-0002-1648-8093;1;0;0;0;1;1098-0121;WOS:000311536400003;;;J;Lazo, Cesar;Neel, Nicolas;Kroeger, Joerg;Berndt, Richard;Heinze, Stefan;Tunneling magnetoresistance and exchange interaction in single-atom;contacts;PHYSICAL REVIEW B;86;18;180406;10.1103/PhysRevB.86.180406;NOV 27 2012;2012;The tunneling magnetoresistance of single-atom junctions is shown to;depend on the electrode separation owing to exchange forces and the;resulting geometric relaxations. An analytical model is proposed to;extract relaxations from the magnetoresistances measured with a scanning;tunneling microscope. Exchange forces and relaxations calculated within;density functional theory demonstrate the validity of the model for a;range of distances between tip and sample which extends from tunneling;close to the point of maximal attraction.;3;0;0;0;3;1098-0121;WOS:000311536700001;;;J;Luo, Xin;Sullivan, Michael B.;Quek, Su Ying;First-principles investigations of the atomic, electronic, and;thermoelectric properties of equilibrium and strained Bi2Se3 and Bi2Te3;including van der Waals interactions;PHYSICAL REVIEW B;86;18;184111;10.1103/PhysRevB.86.184111;NOV 27 2012;2012;Bi2Se3 and Bi2Te3 are layered compounds of technological importance,;being excellent thermoelectric materials as well as topological;insulators. We report density functional theory calculations of the;atomic, electronic, and thermoelectric properties of strained bulk and;thin-film Bi2Se3 and Bi2Te3, focusing on an appropriate description of;van der Waals (vdW) interactions. The calculations show that the van der;Waals density functional (vdW-DF) with Cooper's exchange (vdW-DFxC09);can reproduce closely the experimental interlayer distances in;unstrained Bi2Se3 and Bi2Te3. Interestingly, we predict atomic;structures that are in much better agreement with the experimentally;determined structure from Nakajima than that obtained from Wyckoff,;especially for Bi2Se3, where the difference in atomic structures;qualitatively changes the electronic band structure. The band structure;obtained using the Nakajima structure and the vdW-DFxC09 optimized;structure are in much better agreement with previous reports of;photoemission measurements, than that obtained using the Wyckoff;structure. Using vdW-DFxC09 to fully optimize atomic structures of bulk;and thin-film Bi2Se3 and Bi2Te3 under different in-plane and uniaxial;strains, we predict that the electronic bandgap of both the bulk;materials and thin films decreases with tensile in-plane strain and;increases with compressive in-plane strain. We also predict, using the;semiclassical Boltzmann approach, that the magnitude of the n-type;Seebeck coefficient of Bi2Te3 can be increased by the compressive;in-plane strain while that of Bi2Se3 can be increased with tensile;in-plane strain. Further, the in-plane power factor of n-doped Bi2Se3;can be increased with compressive uniaxial strain while that of n-doped;Bi2Te3 can be increased by compressive in-plane strain. Strain;engineering thus provides a direct method to control the electronic and;thermoelectric properties in these thermoelectric topological insulator;materials.;Quek, Su Ying/I-2934-2014;11;0;0;0;11;1098-0121;WOS:000311536700003;;;J;Olejnik, E.;Pandit, B.;Basel, T.;Lafalce, E.;Sheng, C-X.;Zhang, C.;Jiang, X.;Vardeny, Z. V.;Ultrafast optical studies of ordered poly(3-thienylene-vinylene) films;(vol 85, 235201, 2012);PHYSICAL REVIEW B;86;19;199903;10.1103/PhysRevB.86.199903;NOV 27 2012;2012;0;0;0;0;0;1098-0121;WOS:000311537100003;;;J;Qin, Zhen-Xing;Zhang, Chao;Tang, Ling-Yun;Zhong, Guo-Hua;Lin, Hai-Qing;Chen, Xiao-Jia;High-pressure phases of a hydrogen-rich compound: Tetramethylgermane;PHYSICAL REVIEW B;86;18;184110;10.1103/PhysRevB.86.184110;NOV 27 2012;2012;The vibrational and structural properties of a hydrogen-rich group IVa;hydride, Ge(CH3)(4), are studied by combining Raman spectroscopy and;synchrotron x-ray diffraction measurements at room temperature and at;pressures up to 30.2 GPa. Both techniques allow the obtaining of;complementary information on the high-pressure behaviors and yield;consistent phase transitions at 1.4 GPa for the liquid to solid and 3.0,;5.4, and 20.3 GPa for the solid to solid. The four high-pressure solid;phases are identified to have the cubic, orthorhombic, monoclinic, and;monoclinic crystal structures with space groups of Pa-3 for phase I,;Pnma for phase II, P2(1)/c for phase III, and P2(1) for phase IV,;respectively. These transitions are suggested to result from the changes;in the inter- and intramolecular bonding of this compound. The softening;of some Raman modes on CH3 groups and their sudden disappearance;indicate that Ge(CH3)(4) might be an ideal compound to realize;metallization and even high-temperature superconductivity at modest;static pressure for laboratory capability.;Zhong, Guohua/A-8811-2011; Zhang, Chao/E-5109-2010;Zhong, Guohua/0000-0003-0673-8738; Zhang, Chao/0000-0002-5957-2287;3;0;0;0;3;1098-0121;WOS:000311536700002;;;J;Wdowik, U. D.;Koza, M. M.;Chatterji, T.;Phonons in lanthanum manganite: Inelastic neutron scattering and density;functional theory studies;PHYSICAL REVIEW B;86;17;174305;10.1103/PhysRevB.86.174305;NOV 27 2012;2012;Dynamical properties of the lanthanum manganite lattice are examined by;inelastic neutron scattering experiments and density functional theory;calculations. Densities of vibrational states are measured close to the;Jahn-Teller transition temperature of 750 K. Substantial changes;observed in the phonon spectra above the phase transformation are due to;residual orthorhombic distortions that persist in the high-temperature;structure of lanthanum manganite. Results of the present theoretical;investigations supply additional information useful for both Raman and;infrared spectroscopies. In addition, they indicate that typical static;phonon calculations are insufficient to reproduce accurately;experimental magnitudes of these vibrational quantities of lanthanum;manganite that are determined to a large extent by dynamical effects.;0;0;0;0;0;1098-0121;WOS:000311536400002;;;J;Yan, Wei;Wubs, Martijn;Mortensen, N. Asger;Hyperbolic metamaterials: Nonlocal response regularizes broadband;supersingularity;PHYSICAL REVIEW B;86;20;205429;10.1103/PhysRevB.86.205429;NOV 27 2012;2012;We study metamaterials known as hyperbolic media that in the usual;local-response approximation exhibit hyperbolic dispersion and an;associated broadband singularity in the density of states. Instead, from;the more microscopic hydrodynamic Drude theory we derive qualitatively;different optical properties of these metamaterials, due to the;free-electron nonlocal optical response of their metal constituents. We;demonstrate that nonlocal response gives rise to a large-wavevector;cutoff in the dispersion that is inversely proportional to the Fermi;velocity of the electron gas, but also for small wavevectors we find;differences for the hyperbolic dispersion. Moreover, the size of the;unit cell influences effective parameters of the metamaterial even in;the deep subwavelength regime. Finally, instead of the broadband;supersingularity in the local density of states, we predict a large but;finite maximal enhancement proportional to the inverse cube of the Fermi;velocity.;Mortensen, Niels Asger/C-3592-2008; Wubs, Martijn/B-4934-2008;Mortensen, Niels Asger/0000-0001-7936-6264; Wubs,;Martijn/0000-0002-8286-7825;28;3;0;0;28;1098-0121;WOS:000311537400003;;;J;Yoneda, Y.;Kitanaka, Y.;Noguchi, Y.;Miyayama, M.;Electronic and local structures of Mn-doped BiFeO3 crystals;PHYSICAL REVIEW B;86;18;184112;10.1103/PhysRevB.86.184112;NOV 27 2012;2012;The electronic structure of complex oxides is important for;understanding their functional properties. Here, we report the results;of investigating multiferroic BiFeO3 using various x-ray spectroscopy;techniques. Zn- and Mn-codoped and Mn-doped BiFeO3 samples were prepared;with the aim of improving ferroelectric properties of BiFeO3. The;valences of the doped Mn and host Fe were investigated. When oxygen;vacancies exist in the sample, Mn acts as a hole acceptor. Furthermore,;Mn and Fe stabilize the perovskite unit by changing their ionic radius.;As a result, Mn and Fe atoms exhibit various valence states in the;BiFeO3 system. Evidence of the electronic structure for Fe 3d-O 2p-Bi 6s;hybridization is also presented.;2;0;0;0;2;1098-0121;WOS:000311536700004;;;J;Despoja, V.;Mowbray, D. J.;Vlahovic, D.;Marusic, L.;TDDFT study of time-dependent and static screening in graphene;PHYSICAL REVIEW B;86;19;195429;10.1103/PhysRevB.86.195429;NOV 26 2012;2012;Time-dependent density functional theory (TDDFT) within the random phase;approximation (RPA) is used to obtain the time evolution of the induced;potential produce by the sudden formation of a C 1s core hole inside a;graphene monolayer, and to show how the system reaches the equilibrium;potential. The characteristic oscillations in the time-dependent;screening potential are related to the excitations of pi and sigma + pi;plasmons as well as the low energy 2D plasmons in doped graphene. The;equilibrium RPA screened potential is compared with the DFT effective;potential, yielding good qualitative agreement. The self energy of a;point charge near a graphene monolayer is shown to demonstrate an image;potential type behavior, Ze/(z - z(0)), down to very short distances (4;a.u.) above the graphene layer. Both results are found to agree near;quantitatively with the DFT ground state energy shift of a Li+ ion;placed near a graphene monolayer.;Mowbray, Duncan/A-5531-2010; CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Mowbray, Duncan/0000-0002-8520-0364;;4;0;0;0;4;1098-0121;WOS:000311544500013;;;J;Anspoks, A.;Kalinko, A.;Kalendarev, R.;Kuzmin, A.;Atomic structure relaxation in nanocrystalline NiO studied by EXAFS;spectroscopy: Role of nickel vacancies;PHYSICAL REVIEW B;86;17;174114;10.1103/PhysRevB.86.174114;NOV 26 2012;2012;Nanocrystalline NiO samples have been studied using the Ni K-edge;extended x-ray absorption fine structure (EXAFS) spectroscopy and;recently developed modeling technique, combining classical molecular;dynamics with ab initio multiple-scattering EXAFS calculations;(MD-EXAFS). Conventional analysis of the EXAFS signals from the first;two coordination shells of nickel revealed that (i) the second shell;average distance R(Ni-Ni-2) expands in nanocrystalline NiO compared to;microcrystalline NiO, in agreement with overall unit cell volume;expansion observed by x-ray diffraction; (ii) on the contrary, the first;shell average distance R(Ni-O-1) in nanocrystalline NiO shrinks compared;to microcrystalline NiO; (iii) the thermal contribution into the;mean-square relative displacement sigma(2) is close in both;microcrystalline and nanocrystalline NiO and can be described by the;Debye model; (iv) the static disorder is additionally present in;nanocrystalline NiO in both the first Ni-O-1 and second Ni-Ni-2 shells;due to nanocrystal structure relaxation. Within the MD-EXAFS method, the;force-field potential models have been developed for nanosized NiO using;as a criterion the agreement between the experimental and theoretical;EXAFS spectra. The best solutions have been obtained for the 3D;cubic-shaped nanoparticle models with nonzero Ni vacancy concentration;C-vac: C-vac approximate to 0.4-1.2% for NiO nanoparticles having the;cube size of L approximate to 3.6-4.2 nm and C-vac approximate to;1.6-2.0% for NiO thin film composed of cubic nanograins with a size of L;approximate to 1.3-2.1 nm. Thus our results show that the Ni vacancies;in nanosized NiO play important role in its atomic structure relaxation;along with the size reduction effect.;Kuzmin, Alexei/A-2400-2010; Anspoks, Andris/E-8602-2010; Kalinko, Aleksandr/A-3421-2010;Kuzmin, Alexei/0000-0003-4641-6354; Anspoks, Andris/0000-0002-5162-4521;;;8;0;0;0;8;1098-0121;WOS:000311543200002;;;J;Dahlhaus, J. P.;Gibertini, M.;Beenakker, C. W. J.;Scattering theory of topological invariants in nodal superconductors;PHYSICAL REVIEW B;86;17;174520;10.1103/PhysRevB.86.174520;NOV 26 2012;2012;Time-reversal invariant superconductors having nodes of vanishing;excitation gap support zero-energy boundary states with topological;protection. Existing expressions for the topological invariant are given;in terms of the Hamiltonian of an infinite system. We give an;alternative formulation in terms of the Andreev reflection matrix of a;normal-metal-superconductor interface. This allows us to relate the;topological invariant to the angle-resolved Andreev conductance also;when the boundary state in the superconductor has merged with the;continuum of states in the normal metal. A variety of symmetry classes;is obtained, depending on additional unitary symmetries of the;reflection matrix. We derive conditions for the quantization of the;conductance in each symmetry class and test these on a model for a;two-or three-dimensional superconductor with spin-singlet and;spin-triplet pairing, mixed by Rashba spin-orbit interaction.;Beenakker, Carlo/B-7424-2008;Beenakker, Carlo/0000-0003-4748-4412;8;0;0;0;8;1098-0121;WOS:000311543200007;;;J;Ehlers, D.;Tsurkan, V.;von Nidda, H. -A. Krug;Loidl, A.;Intrinsic anomalous magnetic anisotropy of CdCr2S4;PHYSICAL REVIEW B;86;17;174423;10.1103/PhysRevB.86.174423;NOV 26 2012;2012;The magnetocrystalline anisotropy of the ferromagnetic spinel CdCr2S4;was investigated by ferromagnetic resonance measurements. By avoiding;any contact to iron during the sample preparation we can exclude that;the anisotropy is due to ferrous impurities, and by performing;wavelength dispersive electron probe microanalysis as well as annealing;experiments, it is demonstrated that the samples possess almost ideal;stoichiometry. The resonance data suggest that compositional deviations;from the stoichiometry up to 10(-3) have no influence on our conclusion;that the magnetocrystalline anisotropy is an intrinsic property of;CdCr2S4, caused by trigonal distortion of the sulfur octahedra;surrounding the Cr3+ ions. Anomalous low-temperature linewidth maxima in;the < 111 > directions can be understood by considering the crystal;fields acting on inequivalent sites of the magnetic ions in the spinel;structure and by taking into account the effect of exchange narrowing.;5;0;0;0;5;1098-0121;WOS:000311543200004;;;J;Nemec, M.;Foltin, G. R.;Schmidt, K. P.;Microscopic mechanism for the 1/8 magnetization plateau in SrCu2(BO3)(2);PHYSICAL REVIEW B;86;17;174425;10.1103/PhysRevB.86.174425;NOV 26 2012;2012;The frustrated quantum magnet SrCu2(BO3)(2) shows a remarkably rich;phase diagram in an external magnetic field including a sequence of;magnetization plateaux. The by far experimentally most studied and most;prominent magnetization plateau is the 1/8 plateau. Theoretically, one;expects that this material is well described by the Shastry-Sutherland;model. But, recent microscopic calculations indicate that the 1/8;plateau is energetically not favored. Here, we report on a very simple;microscopic mechanism which naturally leads to a 1/8 plateau for;realistic values of the magnetic exchange constants. We show that the;1/8 plateau with a square unit cell benefits most compared to other;plateau structures from quantum fluctuations which, to a large part, are;induced by Dzyaloshinskii-Moriya interactions. Physically, such;couplings result in kinetic terms in an effective hard-core-boson;description leading to a renormalization of the energy of the different;plateau structures which we treat in this work on the mean-field level.;The stability of the resulting plateaux are discussed. Furthermore, our;results indicate a series of stripe structures above 1/8 and a stable;magnetization plateau at 1/6. Most qualitative aspects of our;microscopic theory agree well with a recently formulated;phenomenological theory for the experimental data of SrCu2(BO3)(2).;Interestingly, our calculations point to a rather large ratio of the;magnetic couplings in the Shastry-Sutherland model such that;nonperturbative effects become essential for the understanding of the;frustrated quantum magnet SrCu2(BO3)(2).;Schmidt, Kai /C-7286-2009;5;0;0;0;5;1098-0121;WOS:000311543200006;;;J;Niedziela, Jennifer L.;McGuire, M. A.;Egami, T.;Local structural variation as source of magnetic moment reduction in;BaFe2As2;PHYSICAL REVIEW B;86;17;174113;10.1103/PhysRevB.86.174113;NOV 26 2012;2012;We report time-of-flight neutron powder diffraction results on;stoichiometric BaFe2As2. Pair distribution function analysis shows that;the orthorhombic distortion in the a-b plane at short distances are;significantly different from the average lattice distortion, indicating;local variations in the lattice at short range. We propose that this;local variation reflects a high density of nanotwins, short-ranged;structures which locally affect the magnetic alignment. This result;suggests that the discrepancies between the observed and calculated;magnetic moments in BaFe2As2 arise partly from short-ranged variation of;the lattice in the a-b plane.;McGuire, Michael/B-5453-2009;McGuire, Michael/0000-0003-1762-9406;2;0;0;0;2;1098-0121;WOS:000311543200001;;;J;Ross, K. A.;Proffen, Th.;Dabkowska, H. A.;Quilliam, J. A.;Yaraskavitch, L. R.;Kycia, J. B.;Gaulin, B. D.;Lightly stuffed pyrochlore structure of single-crystalline Yb2Ti2O7;grown by the optical floating zone technique;PHYSICAL REVIEW B;86;17;174424;10.1103/PhysRevB.86.174424;NOV 26 2012;2012;Recent neutron scattering and specific heat studies on the pyrochlore;Yb2Ti2O7 have revealed variations in its magnetic behavior below 265 mK.;In the best samples, a sharp anomaly in the specific heat is observed at;T = 265 mK. Other samples, especially single crystals, have broad;features in the specific heat which vary in sharpness and temperature;depending on the sample, indicating that the magnetic ground statemay be;qualitatively different in such samples. We performed detailed;comparisons of the chemical structure of a pulverized single crystal of;Yb2Ti2O7, grown by the floating zone technique, to a sintered powder;sample of Yb2Ti2O7. Rietveld refinements of neutron powder diffraction;data on these samples reveal that the crushed single crystal is best;described as a "stuffed" pyrochlore, Yb-2(Ti2-xYbx)O7-x/2 with x =;0.046(4), despite perfectly stoichiometric starting material.;Substituting magnetic Yb3+ on the nonmagnetic Ti4+ sublattice would;introduce random exchange bonds and local lattice deformations. These;are expected to be the mechanism leading to the variation of the;delicate magnetic ground state of Yb2Ti2O7. Determination of the cubic;cell length a could be useful as a method for characterizing the;stoichiometry of nonpulverized single crystals at room temperature.;Proffen, Thomas/B-3585-2009; Lujan Center, LANL/G-4896-2012;Proffen, Thomas/0000-0002-1408-6031;;29;2;0;0;29;1098-0121;WOS:000311543200005;;;J;Sims, H.;Butler, W. H.;Richter, M.;Koepernik, K.;Sasioglu, E.;Friedrich, C.;Bluegel, S.;Theoretical investigation into the possibility of very large moments in;Fe16N2;PHYSICAL REVIEW B;86;17;174422;10.1103/PhysRevB.86.174422;NOV 26 2012;2012;We examine the mystery of the disputed high-magnetization alpha;''-Fe16N2 phase, employing the Heyd-Scuseria-Ernzerhof screened hybrid;functional method, perturbative many-body corrections through the GW;approximation, and on-site Coulomb correlations through the generalized;gradient approximation (GGA) + U method. We present a first-principles;computation of the effective on-site Coulomb interaction (Hubbard U);between localized 3d electrons employing the constrained random-phase;approximation (cRPA), finding only somewhat stronger on-site;correlations than in bcc Fe. We find that the hybrid functional method,;the GW approximation, and the GGA + U method (using parameters computed;from cRPA) yield an average spin moment of 2.9 mu(B), 2.6-2.7 mu(B), and;2.7 mu(B) per Fe, respectively.;Sasioglu, Ersoy/H-8697-2013; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Sasioglu, Ersoy/0000-0002-1701-528X; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;0;0;0;7;1098-0121;WOS:000311543200003;;;J;Asahara, Akifumi;Nakajima, Makoto;Fukaya, Ryo;Tokoro, Hiroko;Ohkoshi, Shin-ichi;Suemoto, Tohru;Ultrafast dynamics of reversible photoinduced phase transitions in;rubidium manganese hexacyanoferrate investigated by midinfrared CN;vibration spectroscopy;PHYSICAL REVIEW B;86;19;195138;10.1103/PhysRevB.86.195138;NOV 26 2012;2012;Photoinduced phase switching dynamics between LTP (low-temperature;phase: Fe2+-CN-Mn3+) and PIHTP (photoinduced high-temperature phase:;Fe3+-CN-Mn2+) in rubidium manganese hexacyanoferrate at 4 K was;investigated by visible pump midinfrared probe transient absorption;spectroscopy. By monitoring the CN stretching vibration modes, which are;sensitive to the valence states of the adjacent metal ions, we could;qualify not only LTP and PIHTP but also the phase boundary;configurations (Fe2+-CN-Mn2+ and Fe3+-CN-Mn3+). In addition, by;irradiating with another light inducing the reverse process to the pump;light, we were able to apply a pump-probe measurement to the persistent;phase transitions. The electronic and structural dynamics in the;picosecond region were understood with a phenomenological spectral;fitting model. In particular, in both directions of these phase;transitions, the instantaneous generation of the boundary configuration;was observed. This observation suggests that relatively small domains;and/or low-dimensional fjord-like domains are created at the early stage;of the transition.;1;0;0;0;1;1098-0121;WOS:000311544500006;;;J;Baek, S. -H.;Choi, K. -Y.;Berger, H.;Buechner, B.;Grafe, H. -J.;
7:5:73:7 Finite-Temperature Transition of the Antiferromagnetic Heisenberg Model on a Distorted Kagome Lattice
DOI:10.1103/PhysRevLett.109.057201 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:3 AU: Masuda, Hiroshi;Okubo, Tsuyoshi;Kawamura, Hikaru;
7:5:74:1 Emergence of Room-Temperature Magnetic Ordering in Artificially Fabricated Ordered-Double-Perovskite Sr2FeRuO6
DOI:10.1021/cm200454z JN:CHEMISTRY OF MATERIALS PY:2011 TC:9 AU: Chang, Jaewan;Lee, Kyujoon;Jung, Myung Hwa;Kwon, Ji-Hwan;Kim, Miyoung;Kim, Sang-Koog;
7:5:74:2 Structure and magnetic properties of Sr2CoRuO6
DOI:10.1016/j.jmmm.2013.05.054 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:1 AU: Phatak, Rohan;Krishnan, K.;Sali, S. K.;Das, A.;Nigam, A. K.;
7:5:74:3 Diffuse neutron scattering study of magnetic correlations in half-doped La0.5Ca0.5-xSrxMnO3 manganites (x=0.1, 0.3, and 0.4)
DOI:10.1103/PhysRevB.81.104423 JN:PHYSICAL REVIEW B PY:2010 TC:6 AU: Dhiman, I.;Das, A.;Mittal, R.;Su, Y.;Kumar, A.;Radulescu, A.;
7:5:74:4 The effects of thermal treatment on the physical properties of Sr2FeMo1-xMxO6 perovskite with M = W, Ta and x <= 0.3
DOI:10.1016/j.jallcom.2010.08.126 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:7 AU: Burzo, E.;Balasz, I.;Valeanu, M.;Pop, I. G.;
7:5:74:5 The dielectric response of La0.5Ca0.5-xSrxMnO3 (0.1 <= x <= 0.4) manganites with different magnetic ground states
DOI:10.1063/1.3501045 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:3 AU: Dhiman, Indu;Deshpande, S. K.;Das, A.;
7:5:74:6 Layer-by-layer growth of SrFeO3-delta thin films on atomically flat single-terminated SrRuO3/SrTiO3 (111) surfaces
DOI:10.1016/j.jcrysgro.2009.12.004 JN:JOURNAL OF CRYSTAL GROWTH PY:2010 TC:3 AU: Chang, Jaewan;Lee, Jong-Woo;Kim, Sang-Koog;
7:5:74:7 Physical properties of La1-xPbxMnO3 perovskites with 0.24 <= x <= 0.40
DOI:10.1016/j.jallcom.2012.04.080 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:1 AU: Burzo, E.;Balasz, I.;Isobe, M.;Ueda, Y.;
7:5:74:8 Structural, electronic and magnetic properties of a symmetrical Fe ReO terminated (001)-oriented slab of double perovskite Sr2FeReO6
DOI:10.1016/j.matchemphys.2012.07.028 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:0 AU: Zhang, Yan;Ji, Vincent;Xu, Ke-Wei;
7:5:74:9 The structural, electronic and magnetic properties of a symmetrical FeMoO terminated (001)-oriented slab of double perovskite Sr2FeMoO6
DOI:10.1016/j.tsf.2012.04.069 JN:THIN SOLID FILMS PY:2012 TC:0 AU: Zhang, Yan;Ji, Vincent;Xu, Ke-Wei;
7:5:75:1 Ferromagnetic Y2CoMnO6: Spin-Glass-Like Behavior and Dielectric Relaxation
DOI:10.1007/s11664-014-2981-0 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2014 TC:4 AU: Zhang, Chao;Wang, Xiaofei;Yan, Haitao;Kang, Dawei;Li, Liben;Lu, Xiaomei;Han, Daofu;Yan, Feng;Zhu, Jinsong;
7:5:75:2 Dielectric relaxation in Tb0.5Y0.5MnO3 ceramics
DOI:10.1016/j.matlet.2014.06.119 JN:MATERIALS LETTERS PY:2014 TC:0 AU: Zhang, Chao;Wang, Xiaofei;Kang, Dawei;Lei, Jianfei;Li, Liben;Lu, Xiaomei;Zhu, Jinsong;
7:5:75:3 Synthesis of TbMnO3 nanoparticles via a polyacrylamide gel route
DOI:10.1016/j.apt.2010.12.002 JN:ADVANCED POWDER TECHNOLOGY PY:2012 TC:9 AU: Lin, G. J.;Yang, H.;Xian, T.;Wei, Z. Q.;Jiang, J. L.;Feng, W. J.;
7:5:75:4 Effect of A-site Bi-doping on the magnetic and electrical properties in TbMnO3
DOI:10.1016/j.matlet.2013.08.068 JN:MATERIALS LETTERS PY:2013 TC:2 AU: Zhang, Chao;Yan, Haitao;Wang, Xiaofei;Kang, Dawei;Li, Liben;Lu, Xiaomei;Zhu, Jinsong;
7:5:75:5 Structure and current-induced effect on the resistivity of La2CoMnO6 thin films
DOI:10.1016/j.matchemphys.2011.11.054 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:2 AU: Gu, Yijing;Wang, Yunfeng;Wang, Tao;Shi, Wangzhou;
7:5:75:6 Microwave sintering, characterization and magnetic properties of double perovskite La2CoMnO6 nanoparticles
DOI:10.1016/j.matlet.2014.06.057 JN:MATERIALS LETTERS PY:2014 TC:1 AU: Reddy, M. Penchal;Zhou, X. B.;Jing, L.;Huang, Q.;
7:5:75:7 Facile and rapid synthesis of multiferroic TbMnO3 single crystalline
DOI:10.1016/j.materresbull.2013.05.060 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:2 AU: An, Xiaoxin;Deng, Jinxia;Chen, Jun;Xing, Xianran;
7:5:75:8 Magnetic properties of CuCrZrSe4
DOI:10.1016/j.jmmm.2012.12.006 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:1 AU: Belakroum, Karima;Ouili, Zeineddine;Leblanc-Soreau, Annie;Hemmida, Mamoun;von Nidda, Hans-Albrecht Krug;
7:5:76:1 Magnetic Excitations in the Low-Temperature Ferroelectric Phase of Multiferroic YMn2O5 Using Inelastic Neutron Scattering
DOI:10.1103/PhysRevLett.107.097401 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:11 AU: Kim, J. -H.;van der Vegte, M. A.;Scaramucci, A.;Artyukhin, S.;Chung, J. -H.;Park, S.;Cheong, S-W.;Mostovoy, M.;Lee, S. -H.;
7:5:76:2 Temperature evolution of the magnetic structure of TbMn2O5
DOI:10.1103/PhysRevB.84.224422 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Wilkinson, C.;Brown, P. J.;Chatterji, T.;
7:5:76:3 Control of magnetic interaction and ferroelectricity by nonmagnetic Ga substitution in multiferroic YMn2O5
DOI:10.1103/PhysRevB.87.104414 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Kimura, H.;Sakamoto, Y.;Fukunaga, M.;Hiraka, H.;Noda, Y.;
7:5:76:4 Investigation of the electromagnon excitations in the multiferroic TbMn2O5
DOI:10.1103/PhysRevB.87.140301 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Petit, S.;Baledent, V.;Doubrovsky, C.;Lepetit, M. B.;Greenblatt, M.;Wanklyn, B.;Foury-Leylekian, P.;
7:5:76:5 Magnetic phase transitions in PrMn2O5: Importance of ion-size threshold size effects in RMn2O5 compounds (R = rare earth)
DOI:10.1103/PhysRevB.86.174417 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Doubrovsky, C.;Andre, G.;Gukasov, A.;Auban-Senzier, P.;Pasquier, C. R.;Elkaim, E.;Li, M.;Greenblatt, M.;Damay, F.;Foury-Leylekian, P.;
7:5:76:6 Understanding neutron scattering data in YMn2O5: An effective spin Hamiltonian
DOI:10.1103/PhysRevB.84.054444 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Baidya, Santu;Sanyal, Prabuddha;Das, Hena;Roessli, Bertrand;Chatterji, Tapan;Saha-Dasgupta, T.;
7:5:76:7 Role of magnetic chirality in polarization flip upon a commensurate-incommensurate magnetic phase transition in YMn2O5
DOI:10.1103/PhysRevB.88.140403 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Wakimoto, Shuichi;Kimura, Hiroyuki;Sakamoto, Yuma;Fukunaga, Mamoru;Noda, Yukio;Takeda, Masayasu;Kakurai, Kazuhisa;
7:5:76:8 Spectral origin of the colossal magnetodielectric effect in multiferroic DyMn2O5
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7:5:76:9 Field dependence of the magnetic structure of TbMn2O5
DOI:10.1063/1.4902840 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Chatterji, T.;Brown, P. J.;
7:5:77:1 Structural and Mossbauer study of the Brownmillerite oxides LaSrMn2-xFexO5 (0 <= x <= 0.5)
DOI:10.1016/j.jallcom.2013.06.130 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:2 AU: Mohamed, M.;Rammeh, N.;Kabadou, A.;Sougrati, M. T.;van der Lee, A.;
7:5:77:2 Oxygen nonstoichiometry, chemical expansion, mixed conductivity, and anodic behavior of Mo-substituted Sr3Fe2O7-delta
DOI:10.1016/j.ssi.2010.06.004 JN:SOLID STATE IONICS PY:2010 TC:8 AU: Kharton, V. V.;Patrakeev, M. V.;Tsipis, E. V.;Avdeev, M.;Naumovich, E. N.;Anikina, P. V.;Waerenborgh, J. C.;
7:5:77:3 Thermal Expansion of Alkaline-Doped Lanthanum Ferrite Near the Neel Temperature
DOI:10.1111/jace.12625 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:2 AU: Beausoleil, Geoffrey L., II;Price, Patrick;Thomsen, David;Punnoose, Alex;Ubic, Rick;Misture, Scott;Butt, Darryl P.;
7:5:77:4 Systematic Study of Compositional and Synthetic Control of Vacancy and Magnetic Ordering in Oxygen-Deficient Perovskites Ca2Fe2-xMnxO5+y and CaSrFe2-xMnxO5+y (x=1/2, 2/3, and 1; y=0-1/2)
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7:5:77:5 Investigation of local structure effect and X-ray absorption characteristics (EXAFS) of Fe (Ti) K-edge on photocatalyst properties of SrTi(1-x)FexO(3-delta)
DOI:10.1016/j.matchemphys.2012.06.037 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:12 AU: Ghaffari, M.;Liu, T.;Huang, H.;Tan, O. K.;Shannon, M.;
7:5:77:6 Redox behavior and transport properties of brownmillerite Ca-2(Fe,M)(2)O-5 +/-delta (M = Mn, Co)
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7:5:77:7 Comment on "Structural and Mossbauer study of the brownmillerite oxides LaSrMn2-xFexO5 (0 <= x <= 0.5)"
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7:5:77:8 Structural and Thermoelectric Properties of Rare-Earth-Substituted Sr3Fe2O7
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7:5:77:9 Structure and transport properties of La0.5Sr0.5 (-) xCaxFeO3 (-) (delta)
DOI:10.1016/j.ssi.2013.11.050 JN:SOLID STATE IONICS PY:2014 TC:0 AU: Chesnokov, K. Yu.;Markov, A. A.;Patrakeev, M. V.;Leonidov, I. A.;Murzakaev, A. M.;Leonidova, O. N.;Shalaeva, E. V.;Kharton, V. V.;Kozhevnikov, V. L.;
7:5:78:1 High-quality single crystal growth and spin flop of multiferroic Co4Nb2O9
DOI:10.1016/j.jcrysgro.2015.03.045 JN:JOURNAL OF CRYSTAL GROWTH PY:2015 TC:0 AU: Cao, Yiming;Yang, Yali;Xiang, Maolin;Feng, Zhenjie;Kang, Baojuan;Zhang, Jincang;Ren, Wei;Cao, Shixun;
7:5:78:2 Spin-flop driven magneto-dielectric effect in Co4Nb2O9
DOI:10.1063/1.3645017 JN:APPLIED PHYSICS LETTERS PY:2011 TC:6 AU: Kolodiazhnyi, T.;Sakurai, H.;Vittayakorn, N.;
7:5:78:3 Anisotropic magnetodielectric coupling behavior of Ca3Co1.4Rh0.6O6 due to geometrically frustrated magnetism
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7:5:78:4 Growth and surface morphology of ErFeO3 single crystal
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7:5:78:5 Magnetic properties of the (CoxMn1-x)(4)Nb2O9 solid solution series
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7:5:79:1 Substitution Effect on the Interplane Coupling in Crednerite: the Cu1.04Mn0.96O2 Case
DOI:10.1021/cm102483m JN:CHEMISTRY OF MATERIALS PY:2011 TC:9 AU: Poienar, M.;Vecchini, C.;Andre, G.;Daoud-Aladine, A.;Margiolaki, I.;Maignan, A.;Lappas, A.;Chapon, L.;Hervieu, M.;Damay, F.;Martin, C.;
7:5:79:2 Tuning the magnetic ground state of a triangular lattice system Cu(Mn1-xCux)O-2
DOI:10.1103/PhysRevB.83.172407 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Garlea, V. Ovidiu;Savici, Andrei T.;Jin, Rongying;
7:5:79:3 Magnetoelastic coupling in the frustrated antiferromagnetic triangular lattice CuMnO2
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7:5:79:4 Orbital structure and magnetic ordering in stoichiometric and doped crednerite CuMnO2
DOI:10.1103/PhysRevB.89.024406 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Ushakov, A. V.;Streltsov, S. V.;Khomskii, D. I.;
7:5:79:5 Magnetic correlations and the influence of atomic disorder in frustrated isosceles triangular lattice antiferromagnet CuMnO2
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7:5:80:1 Effect of strontium ion doping on structural, thermal, morphological and electrical properties of a co-doped lanthanum manganite system
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7:5:80:2 Structural and impedance analysis of copper doped LSM cathode for IT-SOFCs
DOI:10.1016/j.jallcom.2013.01.002 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:5 AU: Noh, Taimin;Ryu, Jiseung;Kim, Jinseong;Kim, Yong-Nam;Lee, Heesoo;
7:5:80:3 Structural analysis and electrochemical properties of cobalt-doped Sr0.9Ce0.1MnO3-delta cathode for IT-SOFCs
DOI:10.1557/jmr.2014.306 JN:JOURNAL OF MATERIALS RESEARCH PY:2014 TC:0 AU: Ryu, Jiseung;O'Hayre, Ryan;Lee, Heesoo;
7:5:80:4 Strain effect on the electrical conductivity of epitaxial La0.67Sr0.33MnO3 thin films
DOI:10.1016/j.scriptamat.2011.03.021 JN:SCRIPTA MATERIALIA PY:2011 TC:1 AU: Yang, Fan;Kim, Sangtae;Takamura, Yayoi;
7:5:80:5 Effect of Cu doping on the electrochemical properties and structural phases of La0.8Sr0.2Mn1- xCuxO3 (0 <= x <= 0.2) at elevated temperature
DOI:10.1016/j.ssi.2014.03.012 JN:SOLID STATE IONICS PY:2014 TC:0 AU: Noh, Taimin;Ryu, Jiseung;O'Hayre, Ryan;Lee, Heesoo;
7:5:80:6 Polarization resistance and composite cathode of Ce doped SrMnO3 system for intermediate temperature solid oxide fuel cells
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7:5:80:7 Local structure and polarization resistance of Ce doped SrMnO3 using extended x-ray fine structure analysis
DOI:10.1063/1.4896107 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Ryu, Jiseung;Lee, Heesoo;
7:5:80:8 Electrochemical properties of Sr1-xCexMnO3 (0.1 <= x <= 0.4) - GDC composite cathodes for IT-SOFCs
DOI:10.1016/j.ceramint.2013.09.099 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Noh, Taimin;Ryu, Jiseung;Lee, Heesoo;Kim, Yong-Nam;Jeong, Cheolweon;Van Tyne, Chester J.;
7:5:80:9 Chemical compatibility and electrical contact between Ni-Cr-Mo alloy and LaCo0.6Ni0.4O3-delta in intermediate temperature solid oxide fuel cells
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7:5:81:1 Electric and magnetic polarizabilities of hexagonal Ln(2)CuTiO(6)(Ln = Y, Dy, Ho, Er, and Yb)
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7:5:81:2 Robust dielectric properties of B-site size-disordered hexagonal Ln(2)CuTiO(6) (Ln = Y, Dy, Ho, Er, and Yb)
DOI:10.1116/1.4868112 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2014 TC:0 AU: Choudhury, D.;Sarma, D. D.;
7:5:81:3 Synthesis and properties of solid solutions of hexagonal YCu0.5Ti0.5O3 with YMO3 (M = Mn, Cr, Fe, Al, Ga, and In)
DOI:10.1016/j.materresbull.2010.10.006 JN:MATERIALS RESEARCH BULLETIN PY:2011 TC:7 AU: Smith, Andrew E.;Sleight, Arthur W.;Subramanian, M. A.;
7:5:81:4 Topotactic reduction and reoxidation of hexagonal RCu0.5Ti0.5O3 (R = Y, Eu-Lu) Phases
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7:5:81:5 Unusual dielectric response in B-site size-disordered hexagonal transition metal oxides
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7:5:81:6 Co-substitution at the Mn-site in YMnO3: Structural stability and physical properties
DOI:10.1016/j.materresbull.2012.01.015 JN:MATERIALS RESEARCH BULLETIN PY:2012 TC:1 AU: Malo, S.;Maignan, A.;
7:5:82:1 A theoretical model for anisotropic multiferroics
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7:5:82:2 Approach to control polarization and magnetic properties for multiferroics with Dzyaloshinskii-Moriya interaction
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7:5:82:3 Spin-lattice coupling driven ferroelectric transition in one-dimensional organic quantum magnets
DOI:10.1039/c0jm02025g JN:JOURNAL OF MATERIALS CHEMISTRY PY:2011 TC:4 AU: Ding, L. J.;Yao, K. L.;Fu, H. H.;
7:5:82:4 Unraveling the polar state in TMTTF2-PF6 organic crystals
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7:5:82:5 The influence of magnetic anisotropy on magnetoelectric behavior in conical spin ordered multiferroic state
DOI:10.1063/1.3407541 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:1 AU: Yao, Xiaoyan;Lo, Veng Cheong;Liu, Jun-Ming;
7:5:83:1 Preparation, structural, dielectric and magnetic properties of LaFeO3-PbTiO3 solid solutions
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7:5:83:2 Novel multiferroic La0.95Sb0.05FeO3 orthoferrite
DOI:10.1016/j.matchemphys.2011.03.033 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:4 AU: Ahmed, M. A.;Selim, M. Solyman;Arman, M. M.;
7:5:83:3 Nonstoichiometry, defects and thermodynamic properties of YFeO3, YFe2O4 and Y3Fe5O12
DOI:10.1016/j.ssi.2012.07.003 JN:SOLID STATE IONICS PY:2012 TC:6 AU: Jacob, K. T.;Rajitha, G.;
7:5:83:4 Thermodynamic properties of LaFeO3-delta and LaFe12O19
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7:5:83:5 Investigation of structural, optical and magnetic properties in PbTi1-xFexO3 ceramics
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7:5:84:1 Local distortion in Co-doped LSMO from entropy-maximized charge density distribution
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7:5:84:2 Magnetic phases in lanthanum-strontium manganite-cobaltite La1.25Sr0.75MnCoO6
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7:5:84:3 Effect of Mn-Site for Al Substitution on Structural, Electrical and Magnetic Properties in La0.67Sr0.33Mn1-xAlxO3 Thin Films by Sol-Gel Method
DOI:10.1155/2014/703072 JN:JOURNAL OF NANOMATERIALS PY:2014 TC:0 AU: Abdullah, H.;Zulfakar, M. Syafiq;Chen, S. Kien;
7:5:84:4 La0.6Sr0.4MnO3 particles synthesized under an external magnetic field
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7:5:84:5 Observation of mixed-phase behavior in the Mn-doped cobaltite La0.7Sr0.3Co1-xMnxO3 (x=0-0.5)
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7:5:84:6 Structure, phase transitions, Mn-55 NMR, Fe-57 Mossbauer studies and magnetoresistive properties of La0.6Sr0.3Mn1.1-xFexO3
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7:5:84:7 Structural and Surface Morphology Studies of La0.67Ba0.33(Mn1-xAlx)O-3 Thin Films Prepared by Sol-Gel Method
DOI:10.1155/2013/412741 JN:JOURNAL OF NANOMATERIALS PY:2013 TC:0 AU: Abdullah, H.;Zulfakar, M. S.;
7:5:85:1 Magnetoelectric effect in NdCrTiO5
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7:5:85:2 Magnetic transitions and magnetodielectric effect in antiferromagnet SrNdFeO4
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7:5:85:3 Interplay between low dimensionality and magnetic frustration in the magnetoelectric pyroxenes LiCrX2O6 (X=Ge, Si)
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7:5:85:4 Magnetic and magnetoelectric study of the pyroxene NaCrSi2O6
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7:5:86:1 Raman and x-ray photoelectron spectroscopy study of ferroelectric switching in Pb(Nb,Zr,Ti)O-3 thin films
DOI:10.1063/1.3675479 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Ramos-Moore, E.;Ferrari, P.;Diaz-Droguett, D. E.;Lederman, D.;Evans, J. T.;
7:5:86:2 Generation of oxygen vacancies in the surface of ferroelectric Pb(Nb,Zr,Ti)O-3
DOI:10.1016/j.apsusc.2010.12.124 JN:APPLIED SURFACE SCIENCE PY:2011 TC:6 AU: Ramos-Moore, E.;Diaz-Droguett, D. E.;Spring, P.;Evans, T.;Cabrera, A. L.;
7:5:86:3 Effects of Sr2+ ion-doped on the microstructure and photoluminescence properties of Ca2La0.97Pr0.03TaO6 phosphor
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7:5:86:4 Electron-pinned defect-dipoles for high-performance colossal permittivity materials
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7:5:86:5 Raman analysis of ferroelectric switching in niobium-doped lead zirconate titanate thin films
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7:5:86:6 Modification of ferroelectric hysteresis in Pb(Nb,Zr,Ti)O-3 thin films induced by CO2 adsorption
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7:5:87:1 Spin-canting in lightly electron-doped CaMnO3
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7:5:87:2 Magnetic and transport properties of electron-doped Ca3-x BixMn2O7
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7:5:87:3 Nature of short-range order in the paramagnetic state of manganites
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7:5:87:4 Interface Control of Emergent Ferroic Order in Ruddlesden-Popper Srn+1TinO3n+1 (vol 107, 257602, 2011)
DOI:10.1103/PhysRevLett.108.029901 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:1 AU: Birol, Turan;Benedek, Nicole A.;Fennie, Craig J.;
7:5:87:5 Colossal magnetoresistance accompanied with magnetorelaxor behavior in phase-separated Ca(1-x)Ce(x)MnO(3) thin films and CaMnO(3)/Ca(0.92)Ce(0.08)MnO(3) superlattices
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7:5:88:1 Magnetoelectric MnPS3 as a candidate for ferrotoroidicity
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7:5:88:2 Controlling toroidal moments by crossed electric and magnetic fields
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7:5:88:3 Dielectric Investigations of Layered Mn2P2S6 and Cu0.52Mn1.74P2S6 Single Crystals
DOI:10.1080/00150193.2013.821871 JN:FERROELECTRICS PY:2013 TC:0 AU: Dziaugys, A.;Banys, J.;Vysochanskii, Yu;
7:5:88:4 Magnetic structure and glassiness in Fe0.5Ni0.5PS3
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7:5:89:1 Controlling independently the electric and thermal properties by shrinking the particle size down to nanosize in quasi-one-dimensional Ca3Co2O6 and Sr6Co5O15
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7:5:89:2 Synthesis of fine particles of a geometrically frustrated spin-chain system Ca3Co2O6 through a pyrophoric route and its magnetic behavior
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7:5:89:3 Controlling independently the electric and thermal properties by shrinking the particle size down to nanosize in quasi-one-dimensional Ca3Co2O6 and Sr6Co5O15 (vol 82, 085110, 2010)
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7:5:89:4 Electronic structure analysis of the quasi-one-dimensional oxide Sr6Co5O15 within the LDA plus U method
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7:5:90:1 Annealing effect on the structural and optical properties of Cr/alpha-Cr2O3 monodispersed particles based solar absorbers
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7:5:90:2 Femtosecond laser surface structuring and oxidation of chromium thin coatings: Black chromium
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7:5:90:3 Structural, mechanical and tribological characterization of chromium oxide thin films prepared by post-annealing of Cr thin films
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7:5:90:4 The use of trivalent chromium bath to obtain a solar selective black chromium coating
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7:5:90:5 Valency control in MoO3-delta nanoparticles generated by pulsed laser liquid solid interaction
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7:5:91:1 First-principles study of structural, electronic, and magnetic properties of double perovskite Ho2MnFeO6
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7:5:91:2 Spin-Spiral States in Undoped Manganites: Role of Finite Hund's Rule Coupling
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7:5:91:3 Spin-Spiral States in Undoped Manganites: Role of Finite Hund's Rule Coupling (vol 104, 017201, 2010)
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7:5:92:1 Crystallization of an exciton superfluid
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7:5:92:2 Quantum breathing mode of interacting particles in a one-dimensional harmonic trap
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7:5:92:3 Theory of the Quantum Breathing Mode in Harmonic Traps and its Use as a Diagnostic Tool
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7:5:92:4 Plasmon dynamics in strongly driven finite few-electron quantum systems: The role of the surface
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7:5:93:1 Ferromagnetic Enhancement of CE-Type Spin Ordering in (Pr, Ca)MnO3
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7:5:93:2 Imprinting Magnetic Information in Manganites with X Rays
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7:5:93:3 Imaging of 3d Mn orbitals in the ferromagnetic state for Ca-substituted manganite: Magnetic Compton investigation
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7:5:94:1 Investigation of magnetic signatures and microstructures for heat-treated ferritic/martensitic HT-9 alloy
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7:5:94:2 Effects of domain, grain, and magnetic anisotropy distributions on magnetic permeability: Monte-Carlo approach
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7:5:94:3 Ferromagnetic resonance of micro- and nano-sized hexagonal ferrite powders at millimeter waves
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7:5:95:1 Structural and magnetic properties of NiAs-type FeSe and related alloy layers
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7:5:95:2 Pulsed laser deposition conditions and superconductivity of FeSe thin films
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7:5:95:3 First-principles prediction of spin-density-reflection symmetry driven magnetic transition of CsCl-type FeSe
DOI:10.1016/j.jmmm.2010.05.051 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:4 AU: Rahman, Gul;Kim, In Gee;Freeman, Arthur J.;
7:5:96:1 High precision electronic charge density determination for L1(0)-ordered gamma-TiAl by quantitative convergent beam electron diffraction
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7:5:96:2 Effect of impurity atoms on alpha(2)/gamma lamellar interfacial misfit in Ti-Al alloy: a systematic first principles study
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7:5:96:3 Differential convergent beam electron diffraction: Experiment and theory
DOI:10.1103/PhysRevB.81.115135 JN:PHYSICAL REVIEW B PY:2010 TC:12 AU: Nakashima, Philip N. H.;Muddle, Barrington C.;
7:5:96:4 Effect of stress orientation on microstructural evolution during creep of near-lamellar Ti-47Al-2Cr-2Nb
DOI:10.1016/j.msea.2012.10.033 JN:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES PY:2013 TC:0 AU: Babu, R. Prasath;Karthikeyan, S.;
7:5:97:1 Nonequilibrium Bose-Einstein condensation of hot magnons
DOI:10.1103/PhysRevB.82.140404 JN:PHYSICAL REVIEW B PY:2010 TC:4 AU: Vannucchi, Fabio Stucchi;Vasconcellos, Aurea Rosas;Luzzi, Roberto;
7:5:97:2 Ginzburg-Landau model of Bose-Einstein condensation of magnons
DOI:10.1103/PhysRevB.81.024418 JN:PHYSICAL REVIEW B PY:2010 TC:16 AU: Malomed, B. A.;Dzyapko, O.;Demidov, V. E.;Demokritov, S. O.;
7:5:97:3 Emission of monochromatic microwave radiation from a nonequilibrium condensation of excited magnons
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7:5:98:1 Spin reorientation and magnetoelastic coupling in Tb6Fe1-xCoxBi2 (x=0, 0.125, 0.25, and 0.375) alloy system
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7:5:98:2 Structural and magnetic properties of Tb6Fe1-xCoxBi2 (0 <= x <= 0.375) compounds
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7:5:98:3 Elastic and magnetostrictive properties of Tb6Fe1-xCoxBi2 (0 <= x <= 0.375)
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7:5:99:1 Structural distortion and orbital ordering in the triangular-lattice antiferromagnet NaVO2 from first principles
DOI:10.1103/PhysRevB.83.094417 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Ouyang, Z. W.;Xia, N. M.;Sheng, S. S.;Chen, J.;Xia, Z. C.;Rao, G. H.;Zheng, X. H.;
7:5:99:2 P2-NaxVO2 system as electrodes for batteries and electron-correlated materials
DOI:10.1038/NMAT3478 JN:NATURE MATERIALS PY:2013 TC:79 AU: Guignard, Marie;Didier, Christophe;Darriet, Jacques;Bordet, Pierre;Elkaim, Erik;Delmas, Claude;
7:5:99:3 First-principles study of structural distortions in frustrated antiferromagnet alpha-NaMnO2
DOI:10.1103/PhysRevB.82.064405 JN:PHYSICAL REVIEW B PY:2010 TC:2 AU: Ouyang, Z. W.;Wang, B.;
7:5:100:1 Probing magnetic order in CuFeO2 through nuclear forward scattering in high magnetic fields
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7:5:100:2 Nuclear Forward Scattering of Synchrotron Radiation in Pulsed High Magnetic Fields
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7:5:100:3 Nuclear Forward Scattering of Synchrotron Radiation in Pulsed High Magnetic Fields (vol 104, 087601, 2010)
DOI:10.1103/PhysRevLett.104.159903 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:0 AU: Strohm, C.;Van der Linden, P.;Rueffer, R.;
7:5:101:1 Cation-ordered A'(1/2)A"1/2B2X4 magnetic spinels as magnetoelectrics
DOI:10.1016/j.jmmm.2014.04.019 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:1 AU: Ter-Oganessian, N. V.;
7:5:101:2 Breathing Pyrochlore Lattice Realized in A-Site Ordered Spinel Oxides LiGaCr4O8 and LiInCr4O8
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7:5:102:1 Spontaneous parity breaking in spin-orbital coupled systems
DOI:10.1103/PhysRevB.90.081115 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Hayami, Satoru;Kusunose, Hiroaki;Motome, Yukitoshi;
7:5:102:2 Toroidal order in metals without local inversion symmetry
DOI:10.1103/PhysRevB.90.024432 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Hayami, Satoru;Kusunose, Hiroaki;Motome, Yukitoshi;
7:5:103:1 Transport, magnetic and structural properties of Mott insulator MnV2O4 at the boundary between localized and itinerant electron limit
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7:5:103:2 The magnesium doping effect of the vanadate spinel MnV2O4
DOI:10.1016/j.jmmm.2010.11.084 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:3 AU: Huang, Yuanjie;Qu, Zhe;Zhang, Yuheng;
7:6:1:1 Synthesis and Microwave Dielectric Properties of Novel Temperature Stable High Q, Li(2)ATi(3)O(8) (A=Mg, Zn) Ceramics
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7:6:1:2 Microwave dielectric properties and low temperature sintering behavior of Li2CoTi3O8 ceramic
DOI:10.1016/j.jallcom.2010.10.078 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:23 AU: Fang, Liang;Chu, Dongjin;Zhou, Huanfu;Chen, Xiuli;Yang, Zhao;
7:6:1:3 Microwave dielectric properties of temperature stable Li2ZnxCo1-xTi3O8 ceramics
DOI:10.1016/j.jallcom.2011.06.093 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:11 AU: Fang, Liang;Chu, Dongjin;Zhou, Huanfu;Chen, Xiuli;Zhang, Hui;Chang, Baocheng;Li, Chunchun;Qin, Yuandong;Huang, Xi;
7:6:1:4 Microwave dielectric properties of novel temperature stable high Q Li2Mg1-xZnxTi3O8 and Li(2)A(1-x)Ca(x)Ti(3)O(8) (A = Mg, Zn) ceramics
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7:6:1:5 High Q Microwave Dielectric Ceramics in the Li-2(Zn(1-x)A(x))Ti3O8 (A = Mg, Co; x=0.02-0.1) System
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7:6:1:6 Microwave dielectric properties and chemical compatibility with silver electrode of low-fired Li2Cu0.2Mg0.8Ti3O8 ceramic
DOI:10.1016/j.ceramint.2013.02.095 JN:CERAMICS INTERNATIONAL PY:2013 TC:3 AU: Tang, Ying;Fang, Liang;Zhou, Huanfu;Liu, Qinwen;Zhang, Hui;
7:6:1:7 ZnLi2/3Ti4/3O4: A new low loss spinel microwave dielectric ceramic
DOI:10.1016/j.jeurceramsoc.2011.08.036 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:27 AU: Zhou, Huanfu;Liu, Xiaobin;Chen, Xiuli;Fang, Liang;Wang, Yiliang;
7:6:1:8 Novel Low-Firing Microwave Dielectric Ceramic LiCa3MgV3O12 with Low Dielectric Loss
DOI:10.1111/jace.12156 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:16 AU: Fang, Liang;Su, Congxue;Zhou, Huanfu;Wei, Zhenhai;Zhang, Hui;
7:6:1:9 A new low-loss microwave dielectric ceramic for low temperature cofired ceramic applications
DOI:10.1557/JMR.2010.0160 JN:JOURNAL OF MATERIALS RESEARCH PY:2010 TC:21 AU: Zhou, Huanfu;Chen, Xiuli;Fang, Liang;Chu, Dongjin;Wang, Hong;
7:6:1:10 Structural, Raman spectroscopic and microwave dielectric studies on spinel Li2Zn(1-x)NixTi3O8 compounds
DOI:10.1016/j.matchemphys.2013.06.010 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2013 TC:2 AU: Singh, Santosh Kumar;Kiran, S. Roopas;Murthy, V. R. K.;
7:6:1:11 Microwave dielectric properties of Li2ZnTi3O8 ceramics doped with Bi2O3
DOI:10.1016/j.ceramint.2013.05.095 JN:CERAMICS INTERNATIONAL PY:2013 TC:2 AU: Lu, Xuepeng;Zheng, Yong;Zhou, Bin;Dong, Zuowei;Cheng, Peng;
7:6:1:12 Microwave dielectric properties and its compatibility with silver electrode of Li2MgTi3O8 ceramics
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7:6:1:13 Effect of H3BO3 on the low temperature sintering and microwave dielectric properties of Li2ZnTi3O8 ceramics
DOI:10.1016/j.jallcom.2012.04.035 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:9 AU: Zhang, Ping;Hua, Yanbo;Xia, Wangsuo;Li, Lingxia;
7:6:1:14 Microwave dielectric properties and compatibility with silver of low-fired Li2Cu0.1Zn0.9Ti3O8 ceramic
DOI:10.1016/j.matlet.2012.04.120 JN:MATERIALS LETTERS PY:2012 TC:3 AU: Fang, Liang;Liu, Qinwen;Su, Congxue;Liao, Wei;Zhang, Hui;
7:6:1:15 Microwave dielectric properties of Li2ZnTi3O8 ceramics doped with ZnO-B2O3 frit
DOI:10.1016/j.matlet.2011.12.048 JN:MATERIALS LETTERS PY:2012 TC:20 AU: Li, Huakai;Lu, Wenzhong;Lei, Wen;
7:6:1:16 Microwave dielectric characteristics of Li-2(Mg0.94M0.06)Ti3O8 (M = Zn, Co, and Mn) ceramics
DOI:10.1016/j.ceramint.2012.12.015 JN:CERAMICS INTERNATIONAL PY:2013 TC:4 AU: Wang, Lijing;Sun, Qingchi;Ma, Weibing;Huan, Zhengli;
7:6:1:17 A novel thermally stable low-firing LiMg4V3O12 ceramic: Sintering characteristic, crystal structure and microwave dielectric properties
DOI:10.1016/j.ceramint.2013.10.114 JN:CERAMICS INTERNATIONAL PY:2014 TC:7 AU: Zhou, Huanfu;He, Fen;Chen, Xiuli;Chen, Jie;Fang, Liang;Wang, Wei;Miao, Yanbing;
7:6:1:18 Microwave Dielectric Properties of MLi2Ti6O14 [M=Ba and Sr] Ceramics and Their Compatibility with Sliver
DOI:10.1111/jace.13344 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:0 AU: Su, Congxue;Fang, Weishuang;Wei, Zhenhai;Tang, Ying;Fang, Liang;
7:6:1:19 Ba5Li2W3O15: A New Li-Containing Perovskite-Type Microwave Ceramic with High Q and Low tau(f)
DOI:10.1111/jace.12649 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:1 AU: Fang, Liang;Wei, Zhenhai;Liao, Wei;Zhou, Huanfu;Zhang, Hui;Xiang, Fei;
7:6:1:20 The effect of composition on Li-2(Mg0.3Zn0.7)Ti3O8-xTiO(2) microwave dielectric ceramics for low temperature co-fired ceramics technology application
DOI:10.1016/j.matlet.2012.12.091 JN:MATERIALS LETTERS PY:2013 TC:7 AU: Tong, Jianxi;Zhang, Bin;Huang, Wei;Yang, Hui;
7:6:1:21 A novel low firing microwave dielectric ceramic NaCa2Mg2V3O12
DOI:10.1016/j.ceramint.2013.05.041 JN:CERAMICS INTERNATIONAL PY:2013 TC:9 AU: Fang, Liang;Xiang, Fei;Su, Congxue;Zhang, Hui;
7:6:1:22 Structural Evolution and Microwave Dielectric Properties of Li(3-3x)M4xNb(1-x)O4 (M = Mg,Zn; 0 <= x <= 0.9)
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7:6:1:23 Adjustable dielectric properties of Li2CuxZn1-xTi3O8 (x=0 to 1) ceramics with low sintering temperature
DOI:10.1016/j.ceramint.2012.05.018 JN:CERAMICS INTERNATIONAL PY:2012 TC:3 AU: Fang, Liang;Liu, Qinwen;Tang, Ying;Zhang, Hui;
7:6:1:24 Microwave properties of low-fired Li2ZnTi3O8 ceramics doped with CuO-Bi2O3-V2O5
DOI:10.1016/j.jallcom.2013.10.108 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: He, Ming;Zhang, Huaiwu;
7:6:1:25 A Novel Magneto-Dielectric Solid Solution Ceramic 0.25LiFe(5)O(8)-0.75Li(2)ZnTi(3)O(8) with Relatively High Permeability and Ultra-Low Dielectric Loss
DOI:10.1111/jace.12075 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:5 AU: He, Li;Zhou, Di;Yang, Haibo;Guo, Jing;Wang, Hong;
7:6:1:26 Role of Nano- and Micron-Sized Particles of TiO2 Additive on Microwave Dielectric Properties of Li2ZnTi3O8-4 wt% TiO2 Ceramics
DOI:10.1111/jace.12640 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:0 AU: Bari, M.;Taheri-Nassaj, E.;Taghipour-Armaki, H.;
7:6:1:27 Effect of TiO2 Ratio on the Phase and Microwave Dielectric Properties of Li2ZnTi3+x O8+2x Ceramics
DOI:10.1007/s11664-014-3026-4 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2014 TC:7 AU: Li, Yingxiang;Li, Hao;Li, Junshan;Tang, Bin;Zhang, Shuren;Chen, Hetuo;Wei, Ya;
7:6:1:28 Sintering behavior, phase evolution and microwave dielectric properties of thermally stable (1-x)Li3NbO4 - xCaTiO(3) composite ceramic
DOI:10.1016/j.ceramint.2013.07.124 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Zhou, Huanfu;Wang, Wei;Chen, Xiuli;Miao, Yanbing;Liu, Xiaobin;Fang, Liang;He, Fen;
7:6:1:29 A new Li0.5Sm0.5WO4 low temperature firing microwave dielectric ceramic
DOI:10.1016/j.jallcom.2010.04.200 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:12 AU: Yang, Haibo;Lin, Ying;Zhu, Jianfeng;Wang, Fen;Dai, Zhonghua;
7:6:1:30 A Novel Magnetodielectric Solid Solution Ceramic 0.4LiFe(5)O(8)-0.6Li(2)MgTi(3)O(8) with Excellent Microwave Dielectric Properties
DOI:10.1111/jace.12565 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:1 AU: He, Li;Zhou, Di;Xiang, Feng;Chang, Panpan;Li, Yong;Wang, Hong;
7:6:1:31 Preparation, phase structure and microwave dielectric properties of a new low cost MgLi2/3Ti4/3O4 compound
DOI:10.1016/j.matchemphys.2012.09.004 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:5 AU: Zhou, Huanfu;Liu, Xiaobin;Chen, Xiuli;Fang, Liang;
7:6:1:32 Preparation, phase structure and microwave dielectric properties of CoLi2/3Ti4/3O4 ceramic
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7:6:1:33 Low-temperature sintering and microwave dielectric properties of Li2ZnTi3O8 ceramics
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7:6:1:34 Effect of sintering aid on microwave dielectric behaviors of Ni0.5Ti0.5NbO4 ceramics for LTCC applications
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7:6:1:35 Low-temperature sintering and compatibility with silver electrode of Ba4MgTi11O27 microwave dielectric ceramic
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7:6:2:1 High-Q dielectrics using ZnO-modified Li2TiO3 ceramics for microwave applications
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7:6:2:2 New high Q microwave dielectric ceramics with rock salt structures: (1-x)Li2TiO3 + xMgO system (0 <= x <= 0.5)
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7:6:2:3 Temperature stable microwave dielectric ceramic 0.3Li(2)TiO(3)-0.7Li(Zn0.5Ti1.5)O-4 with ultra-low dielectric loss
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7:6:2:5 A new temperature stable microwave dielectric ceramic with low-sintering temperature in Li2TiO3-Li2Zn3Ti4O12 system
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7:6:2:6 Microwave Dielectric Properties of Low-Firing Li(2)MO(3) (M = Ti, Zr, Sn) Ceramics with B(2)O(3)-CuO Addition
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7:6:2:7 Structural evolution, sintering behavior and microwave dielectric properties of (1-x)Li3NbO4-xLiF (0 <= x <= 0.9)
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7:6:2:8 Sintering behavior, microstructure and microwave dielectric properties of Li2+xTiO3 (0 <= x <= 0.2)
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7:6:2:9 Structural evolution and microwave dielectric properties of MgO-LiF co-doped Li2TiO3 ceramics for LTCC applications
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7:6:2:10 Novel Temperature Stable Li2MnO3 Dielectric Ceramics with High Q for LTCC Applications
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7:6:2:11 Microwave dielectric properties of Li2TiO3 ceramics sintered at low temperatures
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7:6:2:13 Microwave dielectric properties of Li2ZnTi3O8 ceramics doped with ZnO-B2O3-SiO2 glass
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7:6:2:14 Microwave dielectric properties of [(Mg0.5Zn0.5)(0.95)Co-0.05](2)TiO4 ceramics with BaCu(B2O5) sintered at low temperatures
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7:6:2:15 Low-temperature sintering and microwave dielectric properties of Li3MO4 (M = Ta, Sb) ceramics
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7:6:2:16 Low temperature sintering and microwave dielectric properties of 0.6Li(2)ZnTi(3)O(8)-0.4Li(2)TiO(3) ceramics doped with ZnO-B2O3-SiO2 glass
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7:6:2:17 Phase structure and microwave dielectric properties of (1-x)Li2Zn3Ti4O12-xTiO(2) ceramics
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7:6:2:18 Structural evolution, sintering behavior and microwave dielectric properties of (1-x)Li2TiO3 + xLiF ceramics
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7:6:2:19 Sintering behavior and microwave dielectric properties of (1-x) Li2TiO3+xLiF ceramics prepared by enhanced sintering
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7:6:2:20 A new glass-free LTCC microwave ceramic - (1-x) Li2.08TiO3 + xLiF
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7:6:2:21 Microwave dielectric properties of low-fired Li2TiO3 ceramics doped with Li2O-MgO-B2O3 frit
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7:6:2:22 Low temperature sintering and microwave dielectric properties of Ba-3(PO4)(2)-BaWO4 composite ceramics
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7:6:2:23 Microwave Dielectric Properties of Novel Glass-Free Low-Firing Li2CeO3 Ceramics
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7:6:2:24 Microstructure and microwave dielectric properties of (1-y)Li3NbO4+yLi(2)TiO(3)(Li2SnO3) ceramics
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7:6:2:25 Comparison for the crystal structure, synthesis and microwave dielectric properties of alkaline earth orthophosphates
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7:6:3:1 Microwave Dielectric Ceramics in Li2O-Bi2O3-MoO3 System with Ultra-Low Sintering Temperatures
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7:6:3:2 Novel low-firing microwave dielectric ceramics: BaMV2O7 (M=Mg, Zn)
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7:6:3:3 Novel Series of Low-Firing Microwave Dielectric Ceramics: Ca5A4(VO4)6 (A2+=Mg, Zn)
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7:6:3:4 Low-temperature sintering and microwave dielectric properties of Ca5Co4(VO4)(6) ceramics
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7:6:3:5 LiCa3ZnV3O12: A novel low-firing, high Q microwave dielectric ceramic
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7:6:3:6 New vanadium based Ba3MV4O15 (M=Ti and Zr) high Q ceramics for LTCC applications
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7:6:3:7 High Q ceramics in the ACe(2)(MoO4)(4) (A = Ba, Sr and Ca) system for LTCC applications
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7:6:3:8 Synthesis and Microwave Dielectric Properties of Zn3B2O6 Ceramics for Substrate Application
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7:6:3:9 Low-Temperature Sintering and Microwave Dielectric Properties of (Mg0.95Zn0.05)(2)(Ti0.8Sn0.2)O-4-(Ca0.8Sr0.2)TiO3 Composite Ceramics
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7:6:3:10 Low temperature firing microwave dielectric ceramics (K(0.5)Ln(0.5))MoO4 (Ln =Nd and Sm) with low dielectric loss
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7:6:3:11 Microwave Dielectric Properties of Low-Temperature Sinterable BaCe2(MoO4)(4) Ceramics
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7:6:3:12 Ln(2)Mo(3)O(12) (Ln = La, Nd): A novel group of low loss microwave dielectric ceramics with low sintering temperature
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7:6:3:13 Microwave dielectric ceramic with intrinsic low firing temperature: BaLa2(MoO4)(4)
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7:6:3:14 Infrared spectroscopy and microwave dielectric properties of ultra-low temperature firing (K0.5La0.5)MoO4 ceramics
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7:6:3:15 Synthesis, structural and microwave dielectric properties of Al2W3-xMoxO12 (x=0-3) ceramics
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7:6:3:16 Low-Temperature Sintering and Microwave Dielectric Properties of the Li2CO3-Added Ba2V2O7 Ceramics
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7:6:3:17 New Microwave Dielectric Ceramics BaLn(2)(MoO4)(4) (Ln = Nd and Sm) with Low Loss
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7:6:3:18 Microwave Dielectric Properties of Ultralow-Temperature Cofirable Ba3V4O13 Ceramics
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7:6:3:19 Microstructure and Microwave Dielectric Properties of the Li2CO3-Added Sr2V2O7 Ceramics
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7:6:3:20 Effect of glass fillers in Cu2ZnNb2O8 ceramics for advanced microwave applications
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7:6:4:1 Microwave Dielectric Properties of Li-2(M2+)(2)Mo3O12 and Li-3(M3+)Mo3O12 (M=Zn, Ca, Al, and In) Lyonsite-Related-Type Ceramics with Ultra-Low Sintering Temperatures
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7:6:4:2 Microwave Dielectric Properties of Li2WO4 Ceramic with Ultra-Low Sintering Temperature
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7:6:4:3 Sintering behavior and microwave dielectric properties of a new low-permittivity ceramic system Ca(Mg1-xAlx)(Si1-x/2Alx/2)(2)O-6
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7:6:4:5 Effect of B2O3 addition on the sintering temperature and microwave dielectric properties of Zn2SiO4 ceramics
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7:6:4:6 Low-temperature sintering and microwave dielectric properties of LiF-doped CaMg1-xZnxSi2O6 ceramics
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7:6:4:7 Improving sintering characteristic and dielectric properties of kermanite (Ca2MgSi2O7) ceramics by Bi2O3-B2O3 addition
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7:6:4:8 Effects of CaSiO3 addition on sintering behavior and microwave dielectric properties of Al2O3 ceramics
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7:6:4:9 Temperature compensating ZnAl2O4-Co2TiO4 spinel-based low-permittivity microwave dielectric ceramics
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7:6:4:10 Effects of Al2O3 addition on the sintering behavior and microwave dielectric properties of CaSiO3 ceramics
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7:6:4:11 Low temperature sintering and microwave dielectric properties of CaSiO3-Al2O3 ceramics for LTCC applications
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7:6:4:12 Glass-Free LTCC Microwave Ceramic-(La0.5Na0.5)(1-x)(Li0.5Nd0.5)(x)WO4
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7:6:4:13 Low-Temperature Sintering and Microwave Dielectric Properties of CaMoO4-Based Temperature Stable LTCC Material
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7:6:4:14 Low temperature sintering and microwave dielectric properties of Ce-2(WO4)(3) ceramics
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7:6:4:15 Sintering behavior and microwave dielectric properties of Ca1-xBixW1-xVxO4 ceramics
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7:6:4:16 Designing of Glass-Free LTCC Microwave Ceramic-Ca1-x(Li0.5Nd0.5)xWO4 by Crystal Chemistry
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7:6:4:17 Relations on synthesis, crystal structure and microwave dielectric properties of SrZnP2O7 ceramics
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7:6:4:18 Low-temperature sintering and microwave dielectric properties of (Zn1-xCox)(2)SiO4 ceramics
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7:6:4:19 Ultra-Low-Fire Te-2(Mo1-xWx)O-7 Ceramics: Microstructure and Microwave Dielectric Properties
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7:6:4:20 Low temperature sintering and microwave dielectric properties of Li2TiO3-Li2WO4 composite ceramics
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7:6:4:21 Development of Low Firing NPO Based on (Ca,Sr)(Ti,Zr)O-3 for Co-Firing Cu Electrode
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7:6:5:1 Reaction-sintering method for ultra-low loss (Mg0.95Co0.05)TiO3 ceramics
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7:6:5:2 Microwave dielectric properties of ATiO(3) (A = Ni, Mg, Co, Mn) ceramics
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7:6:5:3 Microwave dielectric properties of (1-x)Mg0.95Zn0.05TiO3-(x)Ca0.6La0.8/3TiO3 ceramic composites
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7:6:5:4 Structural and dielectric studies of Co doped MgTiO3 thin films fabricated by RF magnetron sputtering
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7:6:5:5 The structure and properties of 0.95MgTiO(3)-0.05CaTiO(3) ceramics doped with Co2O3
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7:6:5:6 A new low-loss microwave dielectric using (Ca0.8Sr0.2)TiO3-doped MgTiO3 ceramics
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7:6:5:7 Synthesis of nanocrystalline magnesium titanate by an auto-igniting combustion technique and its structural, spectroscopic and dielectric properties
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7:6:5:8 Investigation on low loss (1-x) Mg0.95Co0.05TiO3-(x) Ca0.6La0.8/3TiO3 composite series for achieving a nearly zero temperature coefficient of resonant frequency
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7:6:5:9 Characterization and dielectric behavior of V2O5-doped 0.9Mg(0.95)Co(0.05)TiO(3)-0.1Ca(0.6)La(0.8/3)TiO(3) ceramic system at microwave frequency
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7:6:5:10 Enhanced Microwave Dielectric Properties of (Zr0.8,Sn0.2)TiO4 Ceramics with the Addition of Its Own Nanoparticles
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7:6:5:12 Design of microwave dielectric resonator antenna using MZTO-CSTO composite
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7:6:5:14 Microwave dielectric properties of the (1-x)( Mg0.95Zn0.05)TiO3-x(Ca0.8SM0.4/3)TiO3 temperature stable ceramics
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7:6:5:16 Effect of Cobalt Doping on the Structural, Microstructure and Microwave Dielectric Properties of MgTiO3 Ceramics Prepared by Semi Alkoxide Precursor Method
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7:6:5:17 Ni and Zn doped MgTiO3 thin films: Structure, microstructure, and dielectric characteristics
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7:6:5:18 Preparation of pure MgTiO3 powders and the effect of the ZnNb2O6-dope onto the property of MgTiO3-based ceramics
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7:6:5:21 A new dielectric material system using (1-x)(Mg0.95Co0.05)(2)TiO4-xCa(0.8)Sm(0.4/3)TiO(3) at microwave frequencies
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7:6:5:22 Dielectric properties of ambient temperature grown nanocrystalline ZrTiO4 thin films using DC magnetron sputtering
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7:6:5:24 MgTiO3/polystyrene composites with low dielectric loss
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7:6:5:25 The structure and properties of 0.95MgTiO(3)-0.05CaTiO(3) ceramics co-doped with ZnO-ZrO2
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7:6:5:26 Effects of CeO2 nanoparticles and annealing temperature on the microwave dielectric properties of MgTiO3 ceramics
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7:6:6:1 Synthesis and microwave dielectric properties of Ca3SnSi2O9 ceramics
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7:6:6:2 Synthesis of monoclinic CaSnSiO5 ceramics and their microwave dielectric properties
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7:6:6:3 Synthesis and microwave dielectric properties of Nd2SiO5 ceramics
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7:6:6:4 Synthesis and microwave dielectric properties of B2O3-doped Mg2GeO4 ceramics
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7:6:6:5 Synthesis and microwave dielectric properties of Zn2SnO4 ceramics
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7:6:6:6 Synthesis, characterization and microwave dielectric properties of spinel MgGa2O4 ceramic materials
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7:6:6:7 Synthesis and Microwave Dielectric Properties of Sm2SiO5 Ceramics
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7:6:6:9 Synthesis, Microstructure, and Microwave Dielectric Properties of Spinel ZnGa2O4 Ceramics
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7:6:6:10 Spinel Mg(Al, Ga)(2)O-4 Solid Solution as High-Performance Microwave Dielectric Ceramics
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7:6:6:11 Synthesis, characterization and microwave dielectric properties of Zn2GeO4 ceramics
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7:6:6:12 Synthesis of (Zn, Mg)TiO3-TiO2 composite ceramics for multilayer ceramic capacitors
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7:6:6:13 Preparation and structural characterization of SnO2 and GeO2 methanol steam reforming thin film model catalysts by (HR)TEM
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7:6:7:2 Low loss and temperature stable microwave dielectrics using Li-2(Mg(1-x)A(x))Ti3O8 (A(2+) = Zn, Co; x=0.02-0.1) ceramics
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7:6:7:3 Dielectric properties of high-Q (Mg1-xZnx)(1.8)Ti1.1O4 ceramics at microwave frequency
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7:6:7:4 Temperature stable high-Q microwave dielectric ceramics in (1-x)BaTi4O9-xBaZn(2)Ti(4)O(11) system
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7:6:7:6 Low-Loss Microwave Dielectrics in the (Mg1-xCox)(1.8)Ti1.1O4 (x=0.03-1.00) Solid Solutions
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7:6:7:7 Structure and properties analysis for MgTiO3 and (Mg0.97M0.03)TiO3 (M = Ni, Zn, Co and Mn) microwave dielectric materials
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7:6:7:8 Sr4-mLamTim-1Ta4-mO12 (m=1, 2, 3): A Novel Series of A(4)B(3)O(12)-Type Microwave Ceramics with a High Q and Low tau(f)
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7:6:7:9 Structure, Dielectric Properties, and Applications of CaTiO3-Modified Ca4MgNb2TiO12 Ceramics at Microwave Frequency
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7:6:7:10 Effects of CaF2 addition on sintering behavior and microwave dielectric properties of ZnTa2O6 ceramics
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7:6:7:12 Microwave dielectric properties of Mg1.8Ti1.1O4 ceramics
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7:6:7:13 Raman spectra and extended X-ray absorption fine structure characterization of La(2-x)/3NaxTiO3 and Nd(2-x)/3LixTiO3 microwave ceramics
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7:6:7:14 A high improved quality factor of Li2MgTi3O8 microwave dielectric ceramics system
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7:6:7:15 Microwave dielectric properties of La4Ti3O12 ceramics
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7:6:8:1 Effects of BaCu(B2O5) addition on phase transition, sintering temperature and microwave properties of Ba4LiTa3O12 ceramics
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7:6:8:2 Ba4LiNb3-xTaxO12 (x=0-3): A Series of High-Q Microwave Dielectrics from the Twinned 8H Hexagonal Perovskites
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7:6:8:3 Effects of BaCu(B2O5) Addition on Phase Transition, Sintering Temperature, and Microwave Properties of Ba4LiNb3O12 Ceramics
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7:6:8:4 New 8-Layer Twinned Hexagonal Perovskite Microwave Dielectric Ceramics Ba8Ga4-xTa4+0.6xO24
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7:6:8:5 Microwave dielectric properties of Ba3LiNb3-xSbxTi5O21(x=0-3) ceramics
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7:6:8:6 Phase structure, band gap and microwave dielectric properties of Ba8Ti3Nb4-xSbxO24 ceramics
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7:6:8:8 A high Q and temperature stable microwave dielectric ceramic Ba4LiTa2SbO12
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7:6:8:9 Structural, spectroscopic and dielectric investigations on Ba8Zn(Nb6-xSbx)O-24 microwave ceramics
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7:6:8:10 Microstructures and microwave dielectric properties of Ba4LiNb3O12-BaWO4 composite ceramics
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7:6:8:11 Conductivity, Dielectric Loss, and Electrical Heterogeneous Microstructure of Eight-Layer Twinned Hexagonal Perovskite Ceramics Ba8CuTa6O24-delta
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7:6:8:12 Synthesis, structural analysis and dielectric properties of Ba-8(Mg1-xZnx)Nb6O24 hexagonal perovskites
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7:6:8:13 Ba4LiNb3-xSbxO12: Phase evolution, microstructure and optimized microwave dielectric properties
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7:6:8:14 Phase transition and microwave dielectric properties of LiY(W1-xTex)(2)O-8 (0.0 <= x <= 0.2)
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7:6:8:15 Stabilization and tunable microwave dielectric properties of the rutile polymorph in alpha-PbO2-type GaTaO4-based ceramics
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7:6:8:16 Tunable high Q perovskite dielectrics in the BaO-NiO-Ta2O5 system
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7:6:9:1 Effects of packing fraction and bond valence on microwave dielectric properties of A(2+)B(6+)O(4) (A(2+): Ca, Pb, Ba; B6+: Mo, W) ceramics
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7:6:9:2 New Low-Loss Microwave Dielectric Material ZnTiNbTaO8
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7:6:9:3 Effects of Crystal Structure on the Microwave Dielectric Properties of ABO(4) (A = Ni, Mg, Zn and B = Mo, W) Ceramics
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7:6:9:4 Ultra-Low Fire Glass-Free Li3FeMo3O12 Microwave Dielectric Ceramics
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7:6:9:5 Effect of Li2O-V2O5 addition on the sintering behavior and microwave dielectric properties of Li-3(Mg1-xZnx)(2)NbO6 ceramics
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7:6:9:6 A New Temperature Stable Microwave Dielectric Material Mg0.5Zn0.5TiNb2O8
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7:6:9:7 Effect of Ion Substitution for Nd 3+Based on Structural Characteristic on the Microwave Dielectric Properties of NdNbO4 Ceramic System
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7:6:9:8 Crystal structure refinement and microwave dielectric properties of new low dielectric loss AZrNb(2)O(8) (A: Mn, Zn, Mg and Co) ceramics
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7:6:9:11 Ultra-Low-Fire Zn2Te3O8-TiTe3O8 Ceramic Composites
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7:6:10:1 Ultra-Low Firing High-k Scheelite Structures Based on [(Li0.5Bi0.5)(x)Bi1-x][MoxV1-x]O-4 Microwave Dielectric Ceramics
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7:6:10:4 Phase evolution, phase transition, and microwave dielectric properties of scheelite structured xBi(Fe1/3Mo2/3)O-4-(1-x)BiVO4 (0.0 <= x <= 1.0) low temperature firing ceramics
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7:6:10:8 Correlation Between Structural Characteristics and Microwave Dielectric Properties of Scheelite Ca1-xCdxMoO4 Solid Solution
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7:6:10:9 Phase Evolution and Microwave Dielectric Properties of (Bi1-xFex)VO4(x <= 0.40) Ceramics
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7:6:10:10 Effects of Al2O3 addition on the microstructure and microwave dielectric properties of Ba4Nd9.33Ti18O54 ceramics
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7:6:10:12 Temperature-independent and enhanced dielectric properties for two-layer structure capacitors with 0.8Pb(Fe2/3W1/3) O-3-0.2PbTiO(3)-MnO and 0.7Pb(Fe2/3W1/3) O-3-0.3PbTiO(3)-MnO ceramics
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7:6:11:1 Dielectric properties and crystal structure of Mg2TiO4 ceramics substituting Mg2+ with Zn2+ and Co2+
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7:6:11:2 Characterization and dielectric behavior of B2O3-doped 0.9Mg(0.95)Co(0.05)TiO(3)-0.1Ca(0.6)La(0.8/3)TiO(3) ceramic system at microwave frequency
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7:6:11:3 Low temperature sintering and microwave dielectric properties of Bi4B2O9-added 0.25CaTiO(3)-0.75(Li1/2Nd1/2)TiO3 ceramics
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7:6:11:5 Synthesis, Crystal Structure, and Microwave Dielectric Properties of (Mg1-xCox)Ta2O6 Solid Solutions
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7:6:11:6 Enhanced densification and microwave dielectric properties of Mg2TiO4 ceramics added with CeO2 nanoparticles
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7:6:11:8 Dielectric properties of B2O3-doped 0.92(Mg0.95Co0.05)(2)TiO4-0.08(Ca0.8Sr0.2)TiO3 ceramics for microwave applications
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7:6:11:11 Effect of CaTiO3 addition on microwave dielectric properties of Mg-2(Ti0.95Sn0.05)O-4 ceramics
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7:6:11:12 Crystal structure and dielectric properties of La(Mg1-xZnx)(1/2)Ti1/2O3 ceramics at microwave frequencies
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7:6:11:13 A novel low-loss microwave dielectric using (Ca0.8Sr0.2)TiO3-modified (Mg0.95Co0.05)(2)TiO4 ceramics
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7:6:11:14 Dielectric characteristics of Sr substitution on Ca0.4Sm0.4TiO3 ceramics at microwave frequency
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7:6:11:15 Effect of CeO2 and Nd2O3 on the Microstructure and Microwave Dielectric Properties of (Zr-0.8, Sn-0.2)TiO4 Ceramics
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7:6:11:16 Low-loss microwave dielectrics in the Mg-2(Ti0.95Sn0.05)O-4-(Ca0.8Sr0.2)TiO3 ceramic system
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7:6:12:3 Phase Relation and Microwave Dielectric Properties of (Zn1-xCox)Ta2O6 System
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7:6:12:4 Preparation and microwave dielectric properties of low-loss MgZrNb2O8 ceramics
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7:6:12:6 Relationship Between Bond Ionicity, Lattice Energy, and Microwave Dielectric Properties of Zn(Ta1-xNbx)2O6 Ceramics
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7:6:13:2 Influence of Mg substitutions for Zn on the phase relation and microwave dielectric properties of (Zn1-xMgx)(3)Nb2O8 (x=0.02-1.0) system
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7:6:13:4 Microwave dielectric properties and crystal structures of 0.7CaTiO(3)-0.3[LaxNd(1-x)]AlO3 ceramics
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7:6:13:5 Effects of A-site La3+ substitution by Nd3+ on microwave dielectric properties and microstructure of CaTiO3-La(Ga0.5Al0.5)O-3 ceramics
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7:6:13:6 Effect of ZnO ratio on sintering behavior and microwave dielectric properties of BaO-ZnO-TiO2 ceramics
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7:6:13:8 Improved quality factor of NdNbO4 microwave dielectric ceramic by Mn2+ substitution
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7:6:13:10 Effects of Sm substitution on microwave dielectric properties of Ba4La9.33(Ti0.95Zr0.05)(18)O-54 ceramics
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7:6:13:11 Effect of Zn2+Substitution on Sintering Behavior and Dielectric Properties of NdNbO4 Ceramics
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7:6:13:12 Effect of Bi2O3 additives on sintering and microwave dielectric behavior of La(Mg0.5Ti0.5)O-3 ceramics
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7:6:14:1 Piezoelectric Strontium Niobate and Calcium Niobate Ceramics with Super-High Curie Points
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7:6:14:2 Anisotropic Thermal Diffusivity and Conductivity of La-Doped Strontium Niobate Sr2Nb2O7
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7:6:14:9 Structure, magnetism, specific heat, and dielectric properties of Eu2Ta2O7
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7:6:14:12 Indium-Based Ultraviolet-Transparent Electroconductive Oxyfluoride InOF: Ambient-Pressure Synthesis and Unique Electronic Properties in Comparison with In2O3
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7:6:14:13 Tunable white-light-emitting Sr2-xCaxNb2O7:Pr3+ phosphor by adjusting the concentration Of Ca2+ ion
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7:6:14:14 Comment on "The Effect of Barium Substitution on the Ferroelectric Properties of Sr2Nb2O7 Ceramics," J. Am. Ceram. Soc., 96 [4] 1163-70 (2013)
DOI:10.1111/jace.12651 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:0 AU: Atuchin, V. V.;
7:6:14:15 Microstructure and Dielectric Properties of Ta-doped La2Ti2O7 Ceramics
DOI:10.1080/10584587.2013.778733 JN:INTEGRATED FERROELECTRICS PY:2013 TC:0 AU: Chen, Gang;Fu, Chunlin;Peng, Xiaodong;Ran, Shaonian;Cai, Wei;Deng, Xiaoling;
7:6:15:1 Low-temperature sintering and dielectric properties of high-permittivity microwave (Ca, Nd)TiO3 ceramics
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7:6:15:2 Low-temperature sintering and microwave dielectric properties of ZnZrNb2O8 ceramics with BaCu(B2O5) addition
DOI:10.1016/j.ceramint.2014.04.146 JN:CERAMICS INTERNATIONAL PY:2014 TC:4 AU: Tang, Xin;Yang, Hui;Zhang, Qi-long;Zhou, Jue-hui;
7:6:15:3 High-Q microwave dielectrics in low-temperature sintered (Zn1-xNix)(3)Nb2O8 ceramics
DOI:10.1016/j.jeurceramsoc.2013.08.038 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:10 AU: Huang, Cheng-Liang;Yang, Wen-Ruei;Yu, Pei-Ching;
7:6:15:4 Microwave dielectric properties of Ba3Ti4-x(Zn1/3Nb2/3)(x)Nb4O21 for low temperature co-fired ceramics
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7:6:15:5 A Low Sintering Temperature Low Loss Microwave Dielectric Material ZnZrNb2O8
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7:6:15:6 Microwave dielectric properties and low temperature sintering of the ZnO-V2O5 doped Ba3Ti2(Mg1/3Nb2/3)(2)Nb4O21 ceramics
DOI:10.1016/j.ceramint.2012.12.084 JN:CERAMICS INTERNATIONAL PY:2013 TC:8 AU: Zhang, Chen;Zuo, Ruzhong;Sun, Qian;Hu, Zhongwen;Zhang, Jinjin;
7:6:15:7 Microwave dielectric properties and compatibility with silver of low-fired Ba5Nb4O15 ceramics by BaCu(B2O5) addition
DOI:10.1557/JMR.2010.0216 JN:JOURNAL OF MATERIALS RESEARCH PY:2010 TC:9 AU: Zhou, Huanfu;Wang, Hong;Zhang, Minghuia;Yang, Haibo;
7:6:15:8 Low-firing high permittivity Ca0.6Sm0.8/3TiO3-(Li0.5Nd0.5)TiO3 ceramics with BaCu(B2O5) addition
DOI:10.1016/j.ceramint.2013.05.028 JN:CERAMICS INTERNATIONAL PY:2013 TC:5 AU: Chen, Guo-hua;Yuan, Chang-lai;Zhou, Chang-rong;Yang, Yun;
7:6:15:9 Low-Temperature Sintering Microwave Dielectrics Using CuO-Doped Zn(Nb0.95Ta0.05)(2)O-6 Ceramics
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7:6:15:10 Photophysical and Photocatalytic Properties of Zn3M2O8 (M = Nb, Ta)
DOI:10.1111/j.1551-2916.2011.04759.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:8 AU: Noh, Tae Hoon;Cho, In-Sun;Lee, Sangwook;Kim, Dong Wook;Park, Sangbaek;Seo, Se Won;Lee, Chan Woo;Hong, Kug Sun;
7:6:15:11 Low-fire processing of microwave BaTi4O9 dielectric with crystalline CuB2O4 and BaCuB2O5 additives
DOI:10.1016/j.ceramint.2012.12.011 JN:CERAMICS INTERNATIONAL PY:2013 TC:3 AU: Chu, Yung-Ju;Jean, Jau-Ho;
7:6:15:12 Synthesis and characterization of Zn3Ta2O8 nanomaterials by hydrothermal method
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7:6:15:13 Effect of BaCu(B2O5) on the sintering temperature and microwave dielectric properties of Ba(Nd0 8Bi0 2)(2)Ti4O12 ceramics
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7:6:16:1 Temperature-Compensated LiMgPO(4): A New Glass-Free Low-Temperature Cofired Ceramic
DOI:10.1111/j.1551-2916.2010.03934.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:19 AU: Thomas, Dhanesh;Sebastian, Mailadil T.;
7:6:16:2 Novel Series of Low-Firing Microwave Dielectric Ceramics: (1-x)Li3Bi2P3O12-xTiO(2)
DOI:10.1111/j.1551-2916.2012.05424.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:1 AU: Liu, Xiaobin;Zhou, Huanfu;Liang, Fang;Chen, Xiuli;Wang, Wei;Wang, Cheng;He, Fen;
7:6:16:3 Effect of Zn2+ substitution on the microwave dielectric properties of LiMgPO4 and the development of a new temperature stable glass free LTCC
DOI:10.1016/j.jeurceramsoc.2012.01.031 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:9 AU: Thomas, Dhanesh;Sebastian, Mailadil T.;
7:6:16:4 Low-Temperature Sinterable (1-x) Ba-3(VO4)(2)-xLiMg(0.9)Zn(0.1)PO(4) Microwave Dielectric Ceramics
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7:6:16:5 Casting and characterization of LiMgPO4 glass free LTCC tape for microwave applications
DOI:10.1016/j.jeurceramsoc.2012.08.002 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:8 AU: Thomas, Dhanesh;Abhilash, Pulanchiyodan;Sebastian, Mailadil T.;
7:6:16:6 Facile Synthesis of "Quench-Free Glass" and Ceramic-Glass Composite for LTCC Applications
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7:6:16:7 Effect of isovalent substitutions on the microwave dielectric properties of Ca4La6(SiO4)(4)(PO4)(2)O-2 apatite
DOI:10.1016/j.jallcom.2012.08.085 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:2 AU: Thomas, Dhanesh;Abhilash, Pulanchiyodan;Sebastian, Mailadil T.;
7:6:16:8 Microwave Dielectric Properties of Ca2+xLa8-x(SiO4)(6-x)(PO4)(x)O-2 Solid Solution
DOI:10.1111/j.1551-2916.2011.04639.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:5 AU: Thomas, Dhanesh;Sebastian, Mailadil T.;
7:6:16:9 Effects of CaTiO3 and SrTiO3 Additions on the Microstructure and Microwave Dielectric Properties of Ultra-Low-Fire TeO2 Ceramics
DOI:10.1111/j.1551-2916.2010.03826.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:3 AU: Wang, Sea-Fue;Huang, Chi-Yuen;Liu, Yen-Ling;
7:6:16:10 Microwave Dielectric Properties of Ba-3(VO4)(2)-Mg2SiO4 Composite Ceramics
DOI:10.1111/j.1551-2916.2009.03429.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:9 AU: Meng, Siqin;Yue, Zhenxing;Zhuang, Hao;Zhao, Fei;Li, Longtu;
7:6:16:11 Microwave dielectric properties of low-temperature sinterable Ba-3(VO4)(2)-LiMgPO4 composite ceramics
DOI:10.1016/j.matlet.2014.05.144 JN:MATERIALS LETTERS PY:2014 TC:1 AU: Dong, Z. W.;Zheng, Y.;Cheng, P.;Lv, X. P.;Zhou, W.;
7:6:16:12 Synthesis and microwave dielectric properties of Ba4Ti3P2O15 ceramics
DOI:10.1016/j.matchemphys.2009.08.037 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2010 TC:4 AU: Zhou, Huanfu;Wang, Hong;Zhang, Minghui;Li, Kecheng;Yang, Haibo;
7:6:16:13 Densification, microstructure and microwave dielectric properties of ultra-low fire BaTe4O9-TiTe3O8 ceramic composites
DOI:10.1016/j.jeurceramsoc.2010.01.020 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:2 AU: Wang, Sea-Fue;Wang, Yuh-Ruey;Hsu, Yung-Fu;Tsai, Jung-Shiung;
7:6:17:1 A new temperature stable microwave dielectric ceramics: ZnTiNb2O8 sintered at low temperatures
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7:6:17:2 Microwave dielectric properties of B2O3-doped ZnTiO3 ceramics made with sol-gel technique
DOI:10.1016/j.jallcom.2010.04.131 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:17 AU: Wu, S. P.;Luo, J. H.;Cao, S. X.;
7:6:17:3 Synthesis, characterization, and microwave dielectric properties of Mg4Nb2O9 ceramics produced through the aqueous sol-gel process
DOI:10.1016/j.jallcom.2010.10.191 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:8 AU: Wu, H. T.;Li, L. X.;Zou, Q.;Liao, Q. W.;Ning, P. F.;Zhang, P.;
7:6:17:4 Low Temperature Sintering and Microwave Dielectric Properties of B2O3-added LiAlSiO4 Ceramics
DOI:10.1111/j.1551-2916.2011.04619.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:10 AU: Kweon, Sang-Hyo;Joung, Mi-Ri;Kim, Jin-Seong;Kim, Bo-Yun;Nahm, Sahn;Paik, Jong-Hoo;Kim, Young-Sik;Sung, Tae-Hyun;
7:6:17:5 Effect of the B2O3 addition on the sintering behavior and microwave dielectric properties of Ba-3(VO4)(2)-Zn1.87SiO3.87 composite ceramics
DOI:10.1016/j.ceramint.2012.09.014 JN:CERAMICS INTERNATIONAL PY:2013 TC:2 AU: Lv, Yang;Zuo, Ruzhong;
7:6:17:6 Low-temperature synthesis and characterization of complex perovskite (Ca-0.61, Nd-0.26)TiO3-(Nd-0.55, Li-0.35)TiO3 nanopowders and ceramics by sol-gel method
DOI:10.1016/j.jallcom.2010.08.140 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:6 AU: Zhang, Qi-Long;Wu, Fei;Yang, Hui;Li, Jin-Feng;
7:6:17:7 The effect CuO additive on the microwave dielectric properties of Mg(Zr0.05Ti0.95)O-3 ceramics
DOI:10.1016/j.jallcom.2010.01.001 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:9 AU: Tseng, Ching-Fang;
7:6:17:8 Synthesis of MgTa2O6 nano-powders by citrate sol-gel method
DOI:10.1016/j.jallcom.2010.06.134 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:7 AU: Zhang, YingChun;Fu, BaoJian;Liu, YanHong;Wang, Xiu;Li, Tao;Yue, ZhenXing;
7:6:17:9 Effect of Bi2O3 Doping on the Sintering Temperature and Microwave Dielectric Properties of LiAlSiO4 Ceramics
DOI:10.1111/j.1551-2916.2012.05222.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:3 AU: Jeong, Byoung-Jik;Joung, Mi-Ri;Kweon, Sang-Hyo;Kim, Jin-Seong;Nahm, Sahn;Choi, Ji-Won;Hwang, Seong-Ju;
7:6:18:1 Enhancement microwave dielectric properties of La(Mg0.5Sn0.5)O-3 ceramics by substituting Mg2+ with Ni2+
DOI:10.1016/j.jallcom.2011.07.056 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:2 AU: Chen, Yih-Chien;Yang, Sheng-Kai;Chang, Kuang-Chiung;
7:6:18:2 New material properties and RF applications of xLa(Mg1/2Ti1/2)O-3-(1-x)(La-0.5)TiO3 ceramics
DOI:10.1016/j.jallcom.2010.02.158 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:5 AU: Chen, Yuan-Bin;
7:6:18:3 High-dielectric-constant and low-loss microwave dielectric in the (1-x)La(Mg0.5Ti0.5)O-3-x(Ca0.8Sr0.2)TiO3 solid solution system
DOI:10.1016/j.jallcom.2010.11.022 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:4 AU: Huang, Cheng-Liang;Chen, Jhih-Yong;
7:6:18:4 New material properties of xLa(Mg1/2Ti1/2)O-3-(1-x) (Na0.5Nd0.5)TiO3 ceramics at microwave frequencies
DOI:10.1016/j.jallcom.2010.03.239 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:6 AU: Chen, Yuan-Bin;
7:6:18:5 New dielectric material system of xLa(Mg1/2Ti1/2)O-3-(1-x)SrTiO3 in the microwave frequencies range
DOI:10.1016/j.jallcom.2009.10.162 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:6 AU: Chen, Yuan-Bin;
7:6:18:6 Crystal structure and dielectric properties of La(Mg0.5Ti0.5)O-3-Ca0.8Sm0.4/3TiO3 solid solution system at microwave frequencies
DOI:10.1016/j.jallcom.2010.09.048 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:3 AU: Chen, Jhih-Yong;Huang, Cheng-Liang;
7:6:18:7 Anomalous dielectric nonlinearity and dielectric relaxation in xBST-(1-x) (LMT-LNT) ceramics
DOI:10.1007/s00339-011-6580-0 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2011 TC:0 AU: Liu, Cheng;Liu, Peng;
7:6:18:8 Substituting La3+ with Sr2+ to improve microwave dielectric properties of La(Mg0.5Sn0.5)O-3 ceramics
DOI:10.1016/j.jallcom.2010.07.025 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:3 AU: Chen, Yih-Chien;Hsu, Wei-Yu;
7:6:18:9 New dielectric material system of xLa(Mg1/2Ti1/2)O-3-(1-x)Ca0.61Nd0.8/3TiO3 at microwave frequency
DOI:10.1016/j.jallcom.2010.04.132 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:2 AU: Chen, Yuan-Bin;
7:6:18:10 Doping and Atomic Site Substitution in the Dielectric Ceramics Ti(Al)O-2 Rutile and (1-x)Ca2/5Sm2/5TiO3-xLi(1/2)Sm(1/2)TiO(3) Perovskite
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7:6:18:11 Dependence of dielectric properties on structural characteristics of (Zn(1/3)A(2/3))(0.5) (Ti1-xBx)(0.5)O-2 (A = Nb5+, Ta5+, B = Ge4+, Sn4+) ceramics at microwave frequencies
DOI:10.1016/j.jeurceramsoc.2009.05.042 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:3 AU: Kim, Eung Soo;Seo, Seock No;
7:6:18:12 New dielectric material system of xLa(Mg1/2Ti1/2)O-3-(1-x)Ca0.8Sr0.2TiO3 at microwave frequency
DOI:10.1016/j.jallcom.2010.11.024 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:3 AU: Chen, Yuan-Bin;
7:6:19:1 Crystal Structure and Microwave Dielectric Properties of LiRE9(SiO4)6O2 Ceramics (RE = La, Pr, Nd, Sm, Eu, Gd, and Er)
DOI:10.1111/jace.12215 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:5 AU: Manu, Kurusaroor Mana;Karthik, Chinnathambi;Leu, Lii-Cherng;Lazar, Kokken Anlin;Ubic, Rick;Sebastian, Mailadil Thomas;
7:6:19:2 Microwave Dielectric Properties of (Sr(1-x)A(x))2(Zn1-xBx)Si2O7 Ceramics (A = Ca, Ba and B = Co, Mg, Mn, Ni)
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7:6:19:3 Effect of Ca2+ Substitution on the Structure, Microstructure, and Microwave Dielectric Properties of Sr2Al2SiO7 Ceramic
DOI:10.1111/jace.12598 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:3 AU: Manu, Kurusaroor Mana;Karthik, Chinnathambi;Ubic, Rick;Sebastian, Mailadil Thomas;
7:6:19:4 Effects of LiF addition on sintering behavior and microwave dielectric properties of (Mg0.95Zn0.05)(2)(Ti0.8Sn0.2)O-4 ceramics
DOI:10.1016/j.ceramint.2011.10.073 JN:CERAMICS INTERNATIONAL PY:2012 TC:5 AU: Yao, G. G.;Liu, P.;
7:6:19:5 Low permittivity SrCuSi4O10-LMZBS glass composite for LTCC applications
DOI:10.1016/j.matlet.2010.10.062 JN:MATERIALS LETTERS PY:2011 TC:10 AU: Manu, K. M.;Anjana, P. S.;Sebastian, M. T.;
7:6:19:6 Temperature compensated Sr2Al2SiO7 ceramic for microwave applications
DOI:10.1016/j.matchemphys.2011.12.067 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:5 AU: Manu, Kurusaroor M.;Joseph, Tony;Sebastian, Mailadil T.;
7:6:19:7 Microwave dielectric properties of alkaline earth orthosilicates M2SiO4 (M=Ba, Sr, Ca)
DOI:10.1016/j.matlet.2010.11.063 JN:MATERIALS LETTERS PY:2011 TC:8 AU: Joseph, Tony;Sebastian, Mailadil Thomas;
7:6:19:8 Electrical and thermal properties of low permittivity Sr2Al2SiO7 ceramic filled HDPE composites
DOI:10.1016/j.ceramint.2012.11.090 JN:CERAMICS INTERNATIONAL PY:2013 TC:4 AU: Manu, K. M.;Ananthakumar, S.;Sebastian, M. T.;
7:6:19:9 Microwave dielectric properties of the (1-x)Mg2TiO4-xCaTiO(3)-y wt.% ZnNb2O6 ceramics system
DOI:10.1016/j.ceramint.2011.01.015 JN:CERAMICS INTERNATIONAL PY:2011 TC:5 AU: Zhu, Hui;Lu, Wen-Zhong;Lei, Wen;
7:6:19:10 Microwave dielectric and thermal properties of mixed rare earth ortho phosphate [REmixPO4]
DOI:10.1016/j.ceramint.2014.05.004 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Arun, Bahuleyan;Varghese, Jobin;Surendran, Kuzhichalil Peethambharan;Sebastian, Mailadil Thomas;
7:6:20:1 Fabrication of nanopowders by high energy ball milling and low temperature sintering of Mg2SiO4 microwave dielectrics
DOI:10.1016/j.jallcom.2011.10.051 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:12 AU: Cheng, Lin;Liu, Peng;Chen, XiaoMing;Niu, WenCheng;Yao, GuoGuang;Liu, Cheng;Zhao, XiaoGang;Liu, Qian;Zhang, HuaiWu;
7:6:20:2 Sinterability and microwave dielectric properties of nano structured 0.95MgTiO(3)-0.05CaTiO(3) synthesised by top down and bottom up approaches
DOI:10.1016/j.jallcom.2010.12.006 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:8 AU: Sanoj, M. A.;Reshmi, C. P.;Sreena, K. P.;Varma, Manoj Raama;
7:6:20:3 Microwave dielectric properties of AWO(4) (A = Ca, Ba, Sr) ceramics synthesized via high energy ball milling method
DOI:10.1016/j.jallcom.2013.06.133 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:10 AU: Cheng, Lin;Liu, Peng;Qu, Shi-Xian;Zhang, Huai-Wu;
7:6:20:4 Microwave dielectric characterization of the perovskite series A(1/2)Ln(1/2)TiO(3)-NaNbO3 (A = Na, Li; Ln = La,Nd, Sm)
DOI:10.1016/j.jallcom.2010.10.082 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:6 AU: Liang, Z.;Yuan, L. L.;Bian, J. J.;
7:6:20:5 Sintering behavior and microwave dielectric properties of nano zinc niobate powder
DOI:10.1016/j.ceramint.2014.07.019 JN:CERAMICS INTERNATIONAL PY:2014 TC:2 AU: Bafrooei, Hadi Barzegar;Nassaj, Ehsan Taheri;Ebadzadeh, Touradj;Hu, Chunfeng;
7:6:20:6 Microwave dielectric properties of x(Mg0.7Zn0.3)(0.95)Co0.05TiO3-(1-x)Ca0.8Sr0.2TiO3 ceramics with a zero temperature coefficient of resonant frequency
DOI:10.1016/j.jallcom.2010.05.015 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:7 AU: Huang, Cheng-Liang;Lin, Shih-Hung;Liu, Shih-Sheng;Chen, Yuan-Bin;Wang, Sih-Yin;
7:6:21:1 Elucidating the dielectric properties of Mg2SnO4 ceramics at microwave frequency
DOI:10.1016/j.jallcom.2011.07.065 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:18 AU: Chen, Yih-Chien;Wang, Yen-Nien;Hsu, Chih-Hao;
7:6:21:2 Elucidating the microwave dielectric properties of (Mg(1-x)Znx)(2)SnO4 ceramics
DOI:10.1016/j.jallcom.2012.03.015 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:8 AU: Chen, Yih-Chien;
7:6:21:3 Synthesis, phase structure and dielectric property of the ZnO-MgO-SnO2 ceramics
DOI:10.1016/j.jallcom.2013.01.021 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:3 AU: Liu, Xiangchun;
7:6:21:4 Enhancement microwave dielectric properties of Mg2SnO4 ceramics by substituting Mg2+ with Ni2+
DOI:10.1016/j.matchemphys.2012.01.102 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:11 AU: Chen, Yih-Chien;Wang, Yen-Nien;Hsu, Chih-Hao;
7:6:21:5 Dielectric properties of magnesium oxide at microwave frequency
DOI:10.1016/j.jallcom.2010.05.114 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:5 AU: Chen, Jhih-Yong;Hsu, Wei-Hung;Huang, Cheng-Liang;
7:6:21:6 Mg-substituted ZnNb2O6-TiO2 composite ceramics for RF/microwaves ceramic capacitors
DOI:10.1016/j.jallcom.2011.05.079 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:1 AU: Sp, Wu;Jh, Luo;
7:6:21:7 Microwave dielectric properties of La1-xBix(Mg0.5Sn0.5)O-3 ceramics
DOI:10.1016/j.matchemphys.2011.05.065 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:7 AU: Chen, Yih-Chien;Lee, Wei-Cheng;
7:6:21:8 Dielectric properties of CuO-doped La2.98/3Ba0.01(Mg0.5Sn0.5)O-3 ceramics at microwave frequency
DOI:10.1016/j.ceramint.2010.08.011 JN:CERAMICS INTERNATIONAL PY:2011 TC:7 AU: Chen, Yih-Chien;Hsu, Wei-Yu;
7:6:21:9 Improvement microwave dielectric properties of Zn2SnO4 ceramics by substituting Sn4+ with Ti4+
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7:6:21:10 Microwave dielectric properties of ZnO-B2O3-SiO2-doped Zn2SnO4 ceramics for application in triple bands inverted-U shaped monopole antenna
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7:6:22:1 Synthesis, characterization and thermal stability of a crystalline niobium oxysulfate
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7:6:22:2 Low-temperature sintering of temperature-stable LaNbO4 microwave dielectric ceramics
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7:6:22:3 Aqueous Processing and Effects of V2O5 on Microwave Dielectric Properties of Multilayer Li1.075Nb0.625Ti0.45O3 Ceramics
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7:6:22:4 Crystal structure and microwave dielectric properties of (Zn1-xCox)TiNb2O8 ceramics
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7:6:22:5 Low-firable high-K dielectric in the Zr-x( Zn1/3Nb2/3)(1-x)TiO4 ceramic system
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7:6:22:6 Crystal structure and microwave dielectric properties of ZnTi(Nb1-xTax)(2)O-8 ceramics
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7:6:22:7 Microwave dielectric properties of a new ceramic system NdNbO4 with CaF2 addition
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7:6:22:8 Crystal structure and microwave dielectric properties of (1-x)ZnTa2O6-xTiO(2) ceramics
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7:6:22:9 Correlation of crystal structure and microwave dielectric properties for Zn(Ti1-xSnx)Nb2O8 ceramics
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7:6:23:1 Low-Loss Microwave Dielectrics in the Spinel-Structured (Mg1-xNix)Al2O4 Solid Solutions
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7:6:23:2 Microwave dielectric properties of Li(Mg1-xNix)PO4 ceramics for LTCC applications
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7:6:23:3 Broadband dielectric characterization of TiO2 ceramics sintered through microwave and conventional processes
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7:6:23:4 Preparation and microwave dielectric properties of Li(Mg1-xCox)PO4 ceramics for low-temperature cofired ceramic applications
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7:6:23:5 High-Q microwave dielectrics in the (Mg1-xZnx)Al2O4 (x=0-0.1) system
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7:6:23:6 Microwave dielectric properties of SnO2-doped CaSiO3 ceramics
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7:6:23:7 Microwave dielectric properties of MgAl2O4-CoAl2O4 spinel compounds prepared by reaction-sintering process
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7:6:23:8 Dielectric characteristics of (Mg1/2Zn1/2)Al2O4 ceramics at microwave frequencies
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7:6:23:9 Dielectric Properties and Characterisation of Titanium Dioxide Obtained by Different Chemistry Methods
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7:6:23:10 Dielectric characteristics of (Mg1/2Co1/2)Al2O4 ceramics at microwave frequencies
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7:6:24:1 Low-temperature sintered Zn2SiO4-CaTiO3 ceramics with near-zero temperature coefficient of resonant frequency
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7:6:24:2 Microwave dielectric properties of (1-x)CeO2-xRE(2)O(3) (RE = La, Nd, Sm, Eu, Gd, Dy, Er, Tm, Yb and Y) (0 <= x <= 1) ceramics
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7:6:24:3 Dielectric properties and crystal structure of (Mg0.9Zn0.05Co0.05)(4)(Nb1-xTax)(2)O-9 ceramics
DOI:10.1016/j.jallcom.2012.06.066 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:0 AU: Chen, Yuan-Bin;
7:6:24:4 Low temperature sintering and microwave dielectric properties of (Mg0.7Zn0.3)(0.95)Co0.05TiO3 ceramics with BaCu(B2O5) additions
DOI:10.1016/j.jallcom.2011.03.172 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:6 AU: Chen, Yuan-Bin;
7:6:24:5 Effect of sintering aid on microwave dielectric properties of Mg(Zr0.05Ti0.95)O-3 ceramics
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7:6:24:6 Low temperature sintering and microwave dielectric properties of ZnTiNb2O8 ceramics with BaCu(B2O5) additions
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7:6:24:7 Low temperature sintering of barium titanate based ceramics with high dielectric constant for LTCC applications
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7:6:24:8 Low temperature processing of (Zr0.8Sn0.2)TiO4 ceramics with improved Q factor
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7:6:25:1 Structural and electrical properties of Gd(Ni1/2Zr1/2)O-3
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7:6:25:2 Dielectric relaxation and conduction mechanism in Ba2GdTaO6
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7:6:25:3 Vibrational Spectroscopy of Ca(2)LnTaO(6) (Ln = lanthanides, Y, and In) and Ca2InNbO6 Double Perovskites
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7:6:25:4 Dielectric Relaxation and Collective Vibrational Modes of Double-Perovskites A(2)SmTaO(6) (A = Ba, Sr and Ca)
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7:6:25:5 Electronic structure and electrical properties of Ba2LaTaO6
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7:6:25:6 Dielectric Relaxation and Electronic Structure of Double Perovskite Ca2AlNbO6
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7:6:25:7 Combined XPS and first principles study of double-perovskite Ca2GdTaO6
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7:6:25:8 Vibrational modes and electrical transport in Sr2GdTaO6
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7:6:25:9 Synthesis and investigation of luminescence properties of Eu3+-doped cubic perovskite Ba3Y2WO9
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7:6:25:10 Impedance spectroscopy analysis of complex perovskite Ho(Ni1/2Zr1/2)O-3
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7:6:25:11 Electrical properties of complex perovskite samarium nickel titanate
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7:6:25:12 Dielectric relaxation and conduction mechanism in LaNi3/4M1/4O3 (M = Mo, W) at low temperature
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7:6:26:1 Improved microwave dielectric properties of Nd(Mg0.5Sn0.5)O-3 ceramics by substituting Mg2+ with Zn2+
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7:6:26:2 Effect of sintering temperature and time on microwave dielectric properties of Nd(Mg0.5Sn0.5)O-3 ceramics
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7:6:26:3 A hybrid dielectric resonator antenna based upon novel complex perovskite microwave ceramic
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7:6:26:4 Effect of Sr substitution on microwave dielectric properties of Nd(Mg0.5Sn0.5)O-3 ceramics
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7:6:26:5 Enhancing quality factor of Nd(Mg0.5Sn0.5)O-3 ceramics by substituting Nd3+ for Yb3+
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7:6:26:6 Microwave dielectric properties and microstructures of Nd(Mg0.5Sn0.5-xTix)O-3 ceramics
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7:6:26:7 Microwave dielectric properties of neodymium tin oxide
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7:6:26:8 Dielectric Properties of B2O3-Doped Nd(Mg0.5Sn0.5)O3 Ceramics at Microwave Frequencies
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7:6:26:9 Phases and Microwave Dielectric Properties of CuO-Doped Nd(Mg0.5Sn0.5)O-3 Ceramics
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7:6:26:10 Enhancement microwave dielectric properties of La(Mg0.5Sn0.5)O-3 ceramics by Substituting Mg2+ for Co2+
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7:6:27:1 Microwave dielectric in the Sm(Co1/2Ti1/2)O-3-CaTiO3 ceramic system with near-zero temperature coefficient with resonant frequency
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7:6:27:2 Relationships between Zr substitution for Ti and microwave dielectric properties in Mg(ZrxTi1-x)O-3 ceramics
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7:6:27:3 Influence of Nonstoichiometry on Extrinsic Electrical Conduction and Microwave Dielectric Loss of BaCo1/3Nb2/3O3 Ceramics
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7:6:27:4 Preparation, structural and microwave dielectric properties of CaLa4(ZrxTi1-x)(4)O-15 ceramics
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7:6:27:5 Microwave dielectric properties of high-Q Mg(Sn (x) Ti1-x )O-3 ceramics
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7:6:27:6 Low loss and middle permittivity of (1-x) Ca4La2Ti5O17-xNdAlO(3) dielectric resonators with near-zero temperature coefficient of the resonant frequency
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7:6:27:7 Effects of Sintering Process on Microstructure and Microwave Dielectric Properties of Ba(Co1/3Nb2/3)O-3 Ceramics
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7:6:27:8 Microwave Dielectric Properties of Co2La4Ti3Si4O22 Ceramics
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7:6:27:9 Microwave dielectric properties of (Ca0.8Sr0.2)(SnxTi1-x)O-3 ceramics
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7:6:27:10 Microwave dielectric properties of new (Ca0.8Sr0.2)SnO3 ceramics
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7:6:27:11 Low-temperature sintered ZnNb2O6-CaTiO3 ceramics with near-zero tau(f)
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7:6:27:12 Effect of Zr substitution on the microwave dielectric properties of (Ca0.8Sr0.2)TiO3 ceramics
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7:6:28:1 A new temperature stable microwave dielectric with low-firing temperature in Bi2MoO6-TiO2 system
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7:6:28:2 Microwave dielectric properties of (1-x)ZnMoO4-xTiO(2) composite ceramics
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7:6:28:3 Microstructure and properties evaluation of TiO2 ceramics with multi-oxides glass additions
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7:6:28:4 Microwave and Infrared Dielectric Response of Temperature Stable (1-x)BaMoO4-xTiO2 Composite Ceramics
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7:6:28:5 Microwave Dielectric Ceramics Li2MO4-TiO2 (M=Mo, W) with Low Sintering Temperatures
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7:6:28:6 Abnormal phase transition in BiNbO4 powders prepared by a citrate method
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7:6:28:7 Dielectric Properties of Lithium Molybdate Ceramic Fabricated at Room Temperature
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7:6:28:8 Microstructure and microwave dielectric properties of (1-x)Ca0.6La0.267TiO3-xCa(Mg1/3Nb2/3)O-3 ceramics
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7:6:29:1 High-Q microwave dielectrics in the (Mg1-xZnx)(4)Ta2O9 ceramics
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7:6:29:2 Improved High-Q Microwave Dielectric Ceramics in CuO-Doped BaTi4O9-BaZn2Ti4O11 System
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7:6:29:3 The influence of Cu substitution on the microwave dielectric properties of BaZn2Ti4O11 ceramics
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7:6:29:4 Phase Composition and Microwave Dielectric Properties of ZnAl2O4-Co2TiO4 Low-Permittivity Ceramics with High Quality Factor
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7:6:29:5 Significant enhancement in quality factor of Zn2TiO4 with Cu-substitution
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7:6:29:6 ZnAl2O4 and (0.79)ZnAl2O4-(0.21)Mn2TiO4 Microwave Dielectric Ceramics Prepared by Hot Pressing and Spark Plasma Sintering
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7:6:29:7 Effect of small amount of cobalt substitution on structure and microwave dielectric properties of barium magnesium niobate ceramics
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7:6:29:8 Microstructure and Microwave Properties for Barium Magnesium Niobate
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7:6:29:9 Microwave dielectric properties of Ca0.4-xMgxSm0.4TiO3 ceramics
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7:6:30:1 High-Permittivity and Low-Loss Microwave Dielectric Ceramics Based on (x)RE(Zn1/2Ti1/2)O-3-(1-x)CaTiO3 (RE=La and Nd)
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7:6:30:2 Effect of bond valence on microwave dielectric properties of (1-x)CaTiO3-x(Li0.5La0.5)TiO3 ceramics
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7:6:30:3 Characterization and microwave dielectric properties of TiO2-modified 0.65CaTiO(3)-0.35Sm(0.9)Nd(0.1)AlO(3) ceramics
DOI:10.1016/j.materresbull.2013.11.026 JN:MATERIALS RESEARCH BULLETIN PY:2014 TC:1 AU: Yang, Xinye;Wang, Xiaohui;Gong, Huiling;Li, Longtu;
7:6:30:4 Probing structural changes in Ca(1-x)Nd2x/3TiO3 ceramics by Raman spectroscopy
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7:6:30:5 Effect of Grain Size on the Microwave Dielectric Characteristics of High-Energy Ball-Milled Zinc Magnesium Titanate Ceramics
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7:6:30:6 Structures and microwave dielectric properties of Ca(1-x)Nd2x/3TiO3 ceramics
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7:6:30:7 Structure and microwave dielectric characteristics of lithium-excess Ca0.6Nd0.8/3TiO3/(Li0.5Nd0.5)TiO3 ceramics
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7:6:30:8 Origin of improvement of Q based on high symmetry accompanying Si-Al disordering in cordierite millimeter-wave ceramics
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7:6:30:9 Effect of sintering temperature on dielectric properties, vibrational modes and crystal structures of Ba[(Ni0.7Zn0.3)(1/3)Nb-2/3]O-3 ceramics
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7:6:31:1 Impedance spectroscopy study of Na2Nb4O11 ceramic matrix by the addition of Bi2O3
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7:6:31:2 Three Layer Perovskite-Like Structured Pr3Ti2TaO11 Ferroelectrics with Super-High Curie Point
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7:6:31:3 Microwave dielectric properties and microstructures of Nb2O5-Zn0.95Mg0.05TiO3+0.25TiO(2) ceramics with Bi2O3 addition
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7:6:31:4 Structural characterisation of ferroelectric Ag2Nb4O11 and dielectric Ag2Ta4O11
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7:6:31:5 Polymorphism, structural characterisation and electrical properties of Na2Nb4O11
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7:6:31:6 A new family of ferroelectric materials: Me2Nb4O11 (Me = Na and Ag)
DOI:10.1039/b921115b JN:JOURNAL OF MATERIALS CHEMISTRY PY:2010 TC:13 AU: Maso, Nahum;West, Anthony R.;
7:6:31:7 Ferroelectricity in the xAg(2)Nb(4)O(11)-(1-x)Na2Nb4O11 solid solution
DOI:10.1063/1.3573791 JN:APPLIED PHYSICS LETTERS PY:2011 TC:4 AU: Woodward, David I.;Thomas, Pam A.;
7:6:31:8 Luminescence and second harmonic generation in Eu3+/Eu2+ embedded B2O3: LiNbO3 non-linear glass-ceramics
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7:6:32:1 Microwave dielectric properties of new SrLa4-xNdxTi5O17 ceramics
DOI:10.1016/j.materresbull.2011.11.060 JN:MATERIALS RESEARCH BULLETIN PY:2012 TC:6 AU: Manan, Abdul;Iqbal, Yaseen;
7:6:32:2 Preparation and Characterization of New Sr5-x LaxNb4-x Ti1+xO17 Microwave Dielectric Ceramics
DOI:10.1007/s11664-012-2080-z JN:JOURNAL OF ELECTRONIC MATERIALS PY:2012 TC:9 AU: Iqbal, Yaseen;Manan, Abdul;
7:6:32:3 Low loss Sr1-xCaxLa4Ti5O17 microwave dielectric ceramics
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7:6:32:4 Preparation, Characterization, and Microwave Dielectric Properties of Sr2La3Nb1-xTaxTi4O17 (0 <= x <= 1) Ceramics
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7:6:32:5 Synthesis and Microwave Dielectric Properties of SrLa4-x Pr (x) Ti5O17 (0 a parts per thousand currency sign x a parts per thousand currency sign 4) Ceramics
DOI:10.1007/s11664-014-3069-6 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2014 TC:3 AU: Manan, Abdul;Qazi, Ibrahim;Khan, Umer Saeed;
7:6:32:6 Phase, microstructural characterization and dielectric properties of Ca-substituted Sr5Nb4TiO17 ceramics
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7:6:32:7 Phase, Microstructure, and Microwave Dielectric Properties of NaCa4-x Sr (x) Nb5O17 (x=0 to 4) Ceramics
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7:6:32:8 Structure and microwave dielectric properties of Ca(5)A(4)TiO(17) (A = Nb, Ta) ceramics
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7:6:33:1 Microwave properties of Ba(Zn1/3Ta2/3)O-3 dielectric resonators
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7:6:33:2 Dielectric properties of Ba(Zn1/3Ta2/3)O-3 thin films on Pt-coated Si substrates
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7:6:33:3 Structural and dielectric properties of Ba(X1/3Ta2/3)O-3 thin films grown by RF-PLD
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7:6:33:4 Influence of liquid phase lead borate glass on dielectric response of lead iron niobate
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7:6:33:5 Microwave dielectric dispersion in a multiferroic Pb(Fe1/2Nb1/2)O-3 thin film
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7:6:33:6 Characterization of BaMg1/3(Ta1-xNbx)(2/3)O-3 ceramics obtained by a modified Pechini method
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7:6:33:7 Short- and medium-range structure of multiferroic Pb(Fe1/2Nb1/2)O-3 studied using neutron total scattering analysis
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7:6:33:8 Optical and structural studies on Ba(Mg1/3Ta2/3)O-3 thin films obtained by radiofrequency assisted pulsed plasma deposition
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7:6:33:9 Microwave dielectric properties of Ba(Zn1/3Ta2/3)O-3 ceramics doped with Nb2O5, MnO2 or V2O3
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7:6:33:10 Microwave dielectric properties of lanthanum based complex perovskites
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7:6:34:1 Structural properties and phase transformation of sol-gel prepared lanthanum tantalates
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7:6:34:2 Synthesis of nanosized beta-BiTaO4 by the polymeric precursor method
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7:6:34:3 Modeling and simulation of AlxGayIn1-x-yAs/InP quaternary structure for photovoltaic
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7:6:34:4 Phase transformation and particle morphology of perovskite La1/3TaO3 precursors prepared by polymeric tartrate complex sol-gel method
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7:6:34:5 Displacive Ordering Transitions in Perovskite-Like AgNb1/2Ta1/2O3
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7:6:34:6 Synthesis and characterization of a new ferroelectric oxide Li2Pb2Pr2W2Ti4Ta4O30
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7:6:34:7 Suppressed temperature dependence of the resonant frequency of a AgNb0.5Ta0.5O3 composite vs. single-phase ceramics
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7:6:34:8 Photocatalytic hydrogen production with visible light over Mo and Cr-doped BiNb(Ta)O-4
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7:6:34:9 Effect of heat treatment on the generation of structural defects in LaTaO4 ceramics and their correlation with photoluminescent properties
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7:6:34:10 Synthesis of CdS nano-spheres by a simple and fast sonochemical method at room temperature
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7:6:35:1 Effects of BaCu(B2O5) on sintering characteristics and microwave dielectric properties of CaWO4 ceramics
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7:6:35:2 Microwave dielectric properties of scheelite structured low temperature fired Bi(In1/3Mo2/3)O-4 ceramic
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7:6:35:3 Dielectric and Microstructural Study of the SrWO4, BaWO4, and CaWO4 Scheelite Ceramics
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7:6:35:4 Low-temperature sintered MgWO4-CaTiO3 ceramics with near-zero temperature coefficient of resonant frequency
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7:6:35:5 Glass-free low-temperature sintering and microwave dielectric properties of CaWO4-Li2WO4 ceramics
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7:6:35:6 Effects of microwave sintering on the properties of 0.87(Mg0.7Zn0.3)TiO3-0.13(Ca0.61La0.26)TiO3 ceramics
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7:6:35:7 Effect of ZnO-WO3 additives on sintering behavior and microwave dielectric properties of 0.95MgTiO(3)-0.05CaTiO(3) ceramics
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7:6:36:1 Influence of manganese on the structure and magnetic properties of YFeO3 nanocrystal
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7:6:36:2 Low-Temperature Sintering and Electromagnetic Properties of NiCuZn/CaTiO3 Composites
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7:6:36:3 Structure and magnetic properties of the perovskite YCo0.5Fe0.5O3
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7:6:36:4 Preparation and electromagnetic properties of in-situ Ba0.8Sr0.2TiO3/YFeO3 composites
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7:6:36:5 Hybrid processing and properties of Ni0.8Zn0.2Fe2O4/Ba0.6Sr0.4TiO3 magnetodielectric composites
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7:6:36:6 Fabrication and Properties of Novel Polyetheretherketone/Barium Titanate Composites with Low Dielectric Loss
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7:6:36:7 Dielectric and piezoelectric properties of rare-earth gadolinium modified lead lanthanum zirconium niobium titanate ceramics
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7:6:36:8 Thermal and Dielectric Behavior of Flexible Polycarbonate/Lead Zirconate Titanate Composite System
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7:6:37:1 Structure Evolution and Enhanced Microwave Dielectric Characteristics of (Sr-1 (-) Ca-x(x))La2Al2O7 Ceramics
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7:6:37:2 Structure and Microwave Dielectric Properties of Solid Solution in SrLaAlO4-Sr2TiO4 System
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7:6:37:3 Structure and microwave dielectric characteristics of (Sr1-xCax) Nd2Al2O7 ceramics
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7:6:37:4 Improvement of Microwave Dielectric Characteristics in SrLaAlO4 Ceramics by Ca Substitution
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7:6:37:5 Dielectric relaxation in LiNbO3-MgAl2O4 nanocomposite
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7:6:37:6 High epsilon(r) and low loss microwave dielectric ceramics Ba3LiNb3-xTaxTi5O21
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7:6:37:7 Improvement of microwave dielectric characteristics in SrNdAlO4 ceramics by Ca-substitution
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7:6:37:8 Sintering behavior and microwave dielectric properties of Ba6-3xNd8+2xTi18O54 (x=2/3) ceramics coated by H3BO3-TEOS sol-gel
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7:6:37:9 Structural Evolution and Its Effects on Dielectric Loss in Sr1+xSm1-xAl1-xTixO4 Microwave Dielectric Ceramics
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7:6:38:1 Influence of B2O3 additions and sintering temperature on microwave dielectric properties of La2.98/3Ba0.01(Mg0.5Sn0.5)O-3 ceramics
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7:6:38:2 Copper concentration effect in the dielectric properties of BiNbO4 for RF applications
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7:6:38:3 Microstructures and microwave dielectric properties of (1-y)La1-xSmx(Mg0.5Sn0.5)O-3-yCa(0.8)Sm(0.4/3)TiO(3) ceramics
DOI:10.1016/j.ceramint.2011.12.009 JN:CERAMICS INTERNATIONAL PY:2012 TC:1 AU: Wang, Yen-Nien;Chen, Yih-Chien;Pan, Ya-Dung;Lee, Wei-Cheng;
7:6:38:4 Microwave dielectric properties of BiNbO4 ceramics with CuO-V2O5 addition
DOI:10.1016/j.ceramint.2011.04.078 JN:CERAMICS INTERNATIONAL PY:2012 TC:5 AU: Lee, Hong Ryul;Yoon, Ki Hyun;Kim, Eung Soo;Choi, Ji Won;Boucher, Richard;
7:6:38:5 Influence of B2O3 on Microstructure and Microwave Dielectric Properties of 0.45La(0.97)Sm(0.03)(Mg0.5Sn0.5) O-3-0.55Ca(0.8)Sm(0.4/3)TiO(3) Ceramic System
DOI:10.1080/00150193.2012.732478 JN:FERROELECTRICS PY:2012 TC:1 AU: Chen, Kuei-Chien;Chen, Yih-Chien;Lee, Wei-Cheng;
7:6:38:6 Investigation of solution-processed bismuth-niobium-oxide films
DOI:10.1063/1.4898323 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Inoue, Satoshi;Ariga, Tomoki;Matsumoto, Shin;Onoue, Masatoshi;Miyasako, Takaaki;Tokumitsu, Eisuke;Chinone, Norimichi;Cho, Yasuo;Shimoda, Tatsuya;
7:6:38:7 Effect of lanthanide ion substitution on RF and microwave dielectric properties of BiNbO4 ceramics
DOI:10.1016/j.jallcom.2009.11.093 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:5 AU: Butee, Sandeep;Kulkarni, Ajit R.;Prakash, Om;Aiyar, R. P. R. C.;Sudheendran, K.;Raju, K. C. James;
7:6:38:8 Enthalpy of formation of selected mixed oxides in a CaO-SrO-Bi2O3-Nb2O5 system
DOI:10.1016/j.jallcom.2011.02.007 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:3 AU: Leitner, J.;Nevriva, M.;Sedmidubsky, D.;Vonka, P.;
7:6:38:9 Influence of B2O3 Additions and Sintering Temperature on the Dielectric Properties of La2.98/3Sr0.01(Mg0.5Sn0.5)O-3 Ceramics at Microwave Frequency
DOI:10.1080/00150193.2011.531203 JN:FERROELECTRICS PY:2011 TC:0 AU: Chen, Yih-Chien;Wang, Yen-Nien;Hsu, Wei-Yu;
7:6:39:1 Effects of Mg Substitution on Microstructures and Microwave Dielectric Properties of Ba(Zn1/3Nb2/3)O-3 Perovskite Ceramics
DOI:10.1111/j.1551-2916.2009.03459.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:15 AU: Fu, Mao Sen;Liu, Xiao Qiang;Chen, Xiang Ming;Zeng, Yao Wu;
7:6:39:2 A Monolithic Perovskite Structure for Use as a Magnetic Regenerator
DOI:10.1111/j.1551-2916.2011.04398.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:11 AU: Pryds, Nini;Clemens, Frank;Menon, Mohan;Nielsen, Pernille H.;Brodersen, Karen;Bjork, Rasmus;Bahl, Christian R. H.;Engelbrecht, Kurt;Nielsen, Kaspar K.;Smith, Anders;
7:6:39:3 Phase Transition Domains in Ca-based Complex Perovskite Dielectric Ceramics
DOI:10.1111/j.1551-2916.2012.05302.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:0 AU: Fu, Mao Sen;Ni, Lei;Liu, Xiao Qiang;Chen, Xiang Ming;Zeng, Yue Wu;
7:6:39:4 Phase coexistence in NaNb(1-x)TaxO3 materials with enhanced dielectric properties
DOI:10.1039/c2jm32078a JN:JOURNAL OF MATERIALS CHEMISTRY PY:2012 TC:2 AU: Torres-Pardo, Almudena;Jimenez, Ricardo;Garcia-Gonzalez, Ester;Gonzalez-Calbet, Jose M.;
7:6:39:5 Transmission Electron Microscopy Evidence of Spontaneous B-Cation Layered Distribution in NaNb1-xTaxO3
DOI:10.1021/ja1031858 JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2010 TC:6 AU: Torres-Pardo, Almudena;Krumeich, Frank;Gonzalez-Calbet, Jose M.;Garcia-Gonzalez, Ester;
7:6:39:6 The effect of cation ordering and domain boundaries on low loss Ba((B1/3B2/3II)-B-I)O-3 perovskite dielectrics revealed by high-angle annular dark-field scanning transmission electron microscopy (HAADF STEM)
DOI:10.1016/j.jeurceramsoc.2014.03.007 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:1 AU: Azough, Feridoon;Freer, Robert;Iddles, David;Shimada, Takeshi;Schaffer, Bernhard;
7:6:39:7 Tetragonal Tungsten Bronzes in Ba(M1/32+Nb2/3)O-3 Microwave Ceramics
DOI:10.1080/00150193.2012.740348 JN:FERROELECTRICS PY:2012 TC:2 AU: Ovchar, O.;Durilin, D.;Belous, A.;Porokhonskyy, V.;Jancar, B.;Kolodiazhnyi, T.;
7:6:40:1 Structural, microwave dielectric properties and dielectric resonator antenna studies of Sr(ZrxTi1-x)O-3 ceramics
DOI:10.1016/j.jallcom.2012.03.047 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:14 AU: Parida, S.;Rout, S. K.;Subramanian, V.;Barhai, P. K.;Gupta, N.;Gupta, V. R.;
7:6:40:2 Effect of TiO2 and CaTiO3 additives on the sintering behavior and microwave dielectric properties of Ca(Mg0.92Al0.08) (Si0.96Al0.04)(2)O-6 ceramics
DOI:10.1016/j.ceramint.2014.06.006 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Li, Denghao;Wang, Humping;Yang, Qinghua;Lei, Ruoshan;Ma, Hongping;Xu, Shiqing;
7:6:40:3 Solubility limits and microwave dielectric properties of Ca(ZrxTi1-x)O-3 solid solution
DOI:10.1016/j.jallcom.2012.08.076 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:4 AU: Parida, S.;Rout, S. K.;Gupta, N.;Gupta, V. R.;
7:6:40:4 Microwave dielectric properties of (1-x)ZnAl2O4-xCaTiO(3) compound ceramic with controlled temperature coefficient
DOI:10.1016/j.ceramint.2012.05.096 JN:CERAMICS INTERNATIONAL PY:2013 TC:7 AU: Tseng, Ching-Fang;Tsai, Ping-Sung;
7:6:40:5 Influence of mechanical activation on sphene based ceramic material synthesis
DOI:10.1016/j.ceramint.2012.06.052 JN:CERAMICS INTERNATIONAL PY:2013 TC:3 AU: Pantic, Jelena;Kremenovic, Aleksandar;Dosen, Anja;Prekajski, Marija;Stankovic, Nadezda;Bascarevic, Zvezdana;Matovic, Branko;
7:6:40:6 Microwave dielectric properties of (Zn1-xMgx)TiO3 (ZMT) ceramics for dielectric resonator antenna application
DOI:10.1016/j.jallcom.2011.08.028 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:3 AU: Gangwar, Ravi Kumar;Singh, S. P.;Choudhary, Meenakshi;Singh, Nitish Kumar;Kumar, Devendra;Rao, G. Lakshmi Narayana;Raju, K. C. James;
7:6:40:7 Preparation and characterization of chrome doped sphene pigments prepared via precursor mechanochemical activation
DOI:10.1016/j.jallcom.2013.06.046 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:0 AU: Pantic, Jelena;Prekajski, Marija;Dramicanin, Miroslav;Abazovic, Nadica;Vukovic, Nikola;Kremenovic, Aleksandar;Matovic, Branko;
7:6:41:1 Microwave dielectric properties of (1-x)SiO2-xTiO(2) composite ceramics derived from core-shell structured microspheres
DOI:10.1016/j.materresbull.2014.01.016 JN:MATERIALS RESEARCH BULLETIN PY:2014 TC:2 AU: Hu, Chengxi;Liu, Yuan;Liu, Peng;Zhang, Weiwei;Zhu, Jianrui;
7:6:41:2 Preparation and microwave dielectric properties of SiO2 ceramics by aqueous Sol-Gel technique
DOI:10.1016/j.jallcom.2012.11.168 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:11 AU: Hu, Chengxi;Liu, Peng;
7:6:41:3 Preparation and microwave dielectric properties of cristobalite ceramics
DOI:10.1016/j.ceramint.2012.02.027 JN:CERAMICS INTERNATIONAL PY:2012 TC:14 AU: Fang, Yong;Li, Lei;Xiao, Qing;Chen, Xiang Ming;
7:6:41:4 Control of the coating layer thickness of TiO2-SiO2 core-shell hybrid particles by liquid phase deposition
DOI:10.1016/j.apt.2010.06.003 JN:ADVANCED POWDER TECHNOLOGY PY:2011 TC:8 AU: Ohno, Tomoya;Numakura, Kazunori;Itoh, Hidenobu;Suzuki, Hisao;Matsuda, Takeshi;
7:6:41:5 Ba(Mg1/3Ta2/3)O-3 filled PTFE composites for microwave substrate applications
DOI:10.1016/j.matchemphys.2010.03.035 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2010 TC:5 AU: James, Nijesh K.;Jacob, K. Stanly;Murali, K. P.;Ratheesh, R.;
7:6:41:6 Preparation of the BaTiO3-SiO2 hybrid particles for the catalyst of methane steam reforming process
DOI:10.1016/j.matchemphys.2012.03.025 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:1 AU: Ohno, Tomoya;Numakura, Kazunori;Suzuki, Hisao;Matsuda, Takeshi;
7:6:42:1 Effect of glass fluxing on densification and microwave dielectric properties of LiInSiO4 ceramic
DOI:10.1016/j.jallcom.2012.10.064 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:2 AU: Sunny, Annrose;Lazer, Kokken Anlin;Manu, Kurusaroor Mana;Surendran, Kuzhichalil Peethambharan;Sebastian, Mailadil Thomas;
7:6:42:2 BaMg1/3Nb2/3O3-Mg4Nb2O9 composite microwave ceramics with high Q-factor and low sintering temperature
DOI:10.1016/j.jeurceramsoc.2012.06.001 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:3 AU: Kolodiazhnyi, Taras;
7:6:42:3 Low temperature cofiring and compatibility with silver electrode of ZnO-SnO2-TiO2-Nb2O5 ceramics with BaCu(B2O5) addition
DOI:10.1016/j.ceramint.2011.07.015 JN:CERAMICS INTERNATIONAL PY:2012 TC:6 AU: Zhou, Huanfu;Liu, Xiaobin;Wang, Hong;Chen, Xiuli;
7:6:42:4 Densification and characterization of SiO2-B2O3-CaO-MgO glass/Al2O3 composites for LTCC application
DOI:10.1016/j.ceramint.2013.01.061 JN:CERAMICS INTERNATIONAL PY:2013 TC:6 AU: Chen, Xingyu;Zhang, Weijun;Bai, Shuxin;Du, Yongguo;
7:6:42:5 A study on the interfacial reaction and dielectric properties of Ba-0.88(Nd1.40Bi0.42La0.30)Ti4O12/alkali-borosilicate glass composites
DOI:10.1016/j.ceramint.2010.07.021 JN:CERAMICS INTERNATIONAL PY:2010 TC:2 AU: Lin, Kuan-Hong;Liao, Chang-Lun;Lin, Shun-Tian;
7:6:42:6 Low temperature cofirable Ca[(Li1/3Nb2/3)(0.95)Zr-0.15]O3+delta microwave dielectric ceramic with ZnO-B2O3-SiO2 frit
DOI:10.1016/j.ceramint.2011.12.021 JN:CERAMICS INTERNATIONAL PY:2012 TC:3 AU: Hu, Mingzhe;Xiong, Juan;Gu, Haoshuang;Chen, Yihang;Wang, Yu;
7:6:43:1 Microwave Dielectric Properties of LiBiW2O8 Ceramics with Low Sintering Temperature (Retracted article. See vol. 94, pg. 291, 2011)
DOI:10.1111/j.1551-2916.2010.04162.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:11 AU: Zhou, Huanfu;Chen, Xiuli;Fang, Liang;Liu, Xiaobin;Wang, Yiliang;
7:6:43:2 Microwave Dielectric Properties of Ba2Ca1-xSrxWO6 Double Perovskites
DOI:10.1111/j.1551-2916.2011.04450.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:7 AU: Zhou, Yuanyuan;Meng, Siqin;Wu, Hongchao;Yue, Zhenxing;
7:6:43:3 Structure and microwave dielectric properties of Ba-3(VO4)(2)-Zn2-xSiO4-x ceramic composites
DOI:10.1016/j.materresbull.2013.02.014 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:7 AU: Lv, Yang;Zuo, Ruzhong;Yue, Zhenxing;
7:6:43:4 Structural Transitions and Microwave Dielectric Properties of (Ba, Sr)(2)LnSbO(6) (Ln = La, Pr, Nd, Sm, Gd, Dy) Double Perovskites
DOI:10.1080/00150193.2012.740262 JN:FERROELECTRICS PY:2012 TC:2 AU: Zhou, Yuanyuan;Yue, Zhenxing;Meng, Siqin;
7:6:43:5 Preparation and microwave dielectric properties of 3ZnO center dot B2O3 ceramics with low sintering temperature
DOI:10.1016/j.jeurceramsoc.2011.10.013 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:3 AU: Hu, Yunxiang;Wei, Dongmei;Fu, Qiuyun;Zhao, Jun;Zhou, Dongxiang;
7:6:43:6 Microwave Dielectric Properties of LiBiW2O8 Ceramics with Low Sintering Temperature (Retraction of vol 93, pg 3976, 2010)
DOI:10.1111/j.1551-2916.2010.04344.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:0 AU: Zhou, H.;Chen, X.;Fang, L.;Liu, X.;Wang, Y.;
7:6:44:1 Preparation and Characterization of a New Microwave Dielectric Ceramic Ba4ZnTi11O27
DOI:10.1111/j.1551-2916.2009.03561.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:13 AU: Zhou, Huanfu;Chen, Xiuli;Fang, Liang;Hu, Changzheng;Wang, Hong;
7:6:44:2 Microwave dielectric properties of BaO-2(1-x)ZnO-xNd(2)O(3)-4TiO(2) (x=0-1.0) ceramics
DOI:10.1016/j.ceramint.2011.07.050 JN:CERAMICS INTERNATIONAL PY:2012 TC:7 AU: Yu, Shengquan;Zhang, Shuren;Tang, Bin;Zhou, Xiaohua;Fang, Youwei;
7:6:44:3 Microstructure and microwave dielectric properties of Li2Ti1-x(Zn1/3Nb2/3)(x)O-3 ceramics
DOI:10.1016/j.ceramint.2012.11.081 JN:CERAMICS INTERNATIONAL PY:2013 TC:3 AU: Chen, Guo-hua;Xu, Hua-rui;Yuan, Chang-lai;
7:6:44:4 Phase analysis and improvement of quality factor of Li2ZnTi3O8 ceramics by annealing treatment
DOI:10.1016/j.jallcom.2013.07.154 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:3 AU: Armaki, Hamid Taghipour;Taheri-Nassaj, Ehsan;Bari, Maryam;
7:6:44:5 Microwave Dielectric Properties of Ca4La2Ti5-x(Mg1/3Nb2/3)(x)O-17 Ceramics
DOI:10.1111/j.1551-2916.2011.05004.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:6 AU: Chen, Guo-hua;Di, Jie-chang;Xu, Hua-rui;Jiang, Min-hong;Yuan, Chang-lai;
7:6:44:6 Structure and dielectric characteristics of Ca(Fe1/2Ta1/2)O-3 complex perovskite ceramics
DOI:10.1016/j.ceramint.2010.11.036 JN:CERAMICS INTERNATIONAL PY:2011 TC:1 AU: Lv, Xin;Wang, Zhuo;Chen, Xiang Ming;
7:6:44:7 A link between p-type electrical conduction and microwave dielectric loss in highly ordered Ba(Co1/3Nb2/3)O-3 ceramics
DOI:10.1557/JMR.2010.0132 JN:JOURNAL OF MATERIALS RESEARCH PY:2010 TC:1 AU: Li, Ming;Feteira, Antonio;Mirsaneh, Mehdi;Lanagan, Michael T.;Sinclair, Derek C.;
7:6:45:1 Phase evolution and microwave dielectric properties of MgO-B2O3-SiO2-based glass-ceramics
DOI:10.1016/j.ceramint.2011.08.025 JN:CERAMICS INTERNATIONAL PY:2012 TC:8 AU: Dosler, Urban;Krzmanc, Marjeta Macek;Suvorov, Danilo;
7:6:45:2 Effects of Nb2O5 Doping on the Microwave Dielectric Properties and Microstructures of Bi2Mo2O9 Ceramics
DOI:10.1111/jace.12204 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:4 AU: Lee, Ying-Chieh;Chiu, Jam-Da;Chen, Yu Hong;
7:6:45:3 The synthesis and microwave dielectric properties of Mg3B2O6 and Mg2B2O5 ceramics
DOI:10.1016/j.jeurceramsoc.2009.05.049 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:22 AU: Dosler, Urban;Krzmanc, Marjeta Macek;Suvorov, Danilo;
7:6:45:4 A High-Q Microwave Dielectric Material Based on Mg3B2O6
DOI:10.1111/j.1551-2916.2010.03926.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:2 AU: Dosler, Urban;Krzmanc, Marjeta Macek;Jancar, Bostjan;Suvorov, Danilo;
7:6:45:5 The effect of Ga3+ addition on the sinterability and microwave dielectric properties of RE3Al5O12 (Tb3+, Y3+, Er3+ and Yb3+) garnet ceramics
DOI:10.1016/j.ceramint.2013.08.097 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Sunny, Annrose;Viswanath, Varsha;Surendran, Kuzhichatil Peethambharan;Sebastian, Mailadil Thomas;
7:6:45:6 Preparation and Microwave Dielectric Properties of TiO2-Doped YAG Ceramics
DOI:10.1080/00150193.2010.484726 JN:FERROELECTRICS PY:2010 TC:2 AU: Zhou, Yuanyuan;Yue, Zhenxing;Li, Longtu;
7:6:45:7 Microstructure and tensile properties of ZnO-coated magnesium borate whisker reinforced AZ31B composite
DOI:10.1016/j.msea.2012.06.008 JN:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES PY:2012 TC:4 AU: Jin, Peipeng;Han, Li;Chen, Shanhua;Wang, Jinhui;Zhu, Yunpeng;
7:6:46:1 Effects of manganese oxide addition and reductive atmosphere annealing on the phase stability and microstructure of yttria stabilized zirconia
DOI:10.1016/j.jeurceramsoc.2013.04.004 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:3 AU: Huang, Yen-Lin;Lee, Ying-Chieh;Tsai, Du-Cheng;Chiu, Jam-Da;Shieu, Fuh-Sheng;
7:6:46:2 Ceramic Dusting Corrosion of Yttria-Stabilized Zirconia in Ultra High Temperature Reverse-Flow Pyrolysis Reactors
DOI:10.1111/jace.12035 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:4 AU: Chun, ChangMin;Desai, Sanket;Hershkowitz, Frank;Ramanarayanan, Trikur A.;
7:6:46:3 Effect of TiO2 doped Ni electrodes on the dielectric properties and microstructures of (Ba0.96Ca0.04)(Ti0.85Zr0.15)O-3 multilayer ceramic capacitors
DOI:10.1016/j.jeurceramsoc.2011.11.009 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:6 AU: Chiang, Chen-Su;Lee, Ying-Cliieh;Shiao, Fu-Thang;Lee, Wen-Hsi;Hennings, Detlev;
7:6:46:4 Preparation and quality evaluation of a simulating Sr-90 ceramic source
DOI:10.1016/j.ceramint.2014.05.125 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Hu, Rui;Kan, Wentao;Deng, Jian;Liu, Yebing;Yang, Yuqing;Jiang, Kuo;Luo, Shunzhong;
7:6:46:5 Melting index characterization and thermal conductivity model of plasma sprayed YSZ coatings
DOI:10.1016/j.jeurceramsoc.2012.05.030 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:4 AU: Wang, Yongzhe;Hua, Jiajie;Liu, Ziwei;Zeng, Yi;Zhou, Ying;Wang, Hu;
7:6:46:6 Pressureless sintering of ZrO2-ZrSiO4/NiCr functionally graded materials with a shrinkage matching process
DOI:10.1016/j.jeurceramsoc.2012.11.026 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:3 AU: Wu, Kangjian;Scheler, Sven;Park, Ho-Seon;Willert-Porada, Monika;
7:6:46:7 Degradation of zirconate materials in ultra-high temperature reverse-flow pyrolysis reactors
DOI:10.1007/s10853-013-7206-z JN:JOURNAL OF MATERIALS SCIENCE PY:2013 TC:0 AU: Chun, Changmin;Desai, Sanket;Hershkowitz, Frank;Ramanarayanan, Trikur A.;
7:6:47:1 Functional advances of microwave dielectrics for next generation
DOI:10.1016/j.ceramint.2011.04.068 JN:CERAMICS INTERNATIONAL PY:2012 TC:15 AU: Ohsato, Hitoshi;
7:6:47:2 Microwave dielectric properties of (1-x)ZnTa2O6-xMgNb(2)O(6) ceramics
DOI:10.1016/j.ceramint.2012.10.218 JN:CERAMICS INTERNATIONAL PY:2013 TC:4 AU: Fu, Baojian;Zhang, Yingchun;Yue, Hui;
7:6:47:3 Effect of CuO Addition on Microwave Dielectric Properties of 0.80Sm(Mg0.5Ti0.5)O-3-0.20Ca(0.8)Sr(0.2)TiO(3) Ceramics
DOI:10.1007/s11664-014-3234-y JN:JOURNAL OF ELECTRONIC MATERIALS PY:2014 TC:0 AU: Yao, Lichun;Yang, Jian;Qiu, Tai;
7:6:47:4 Phase analysis and microwave dielectric properties of BaO-Nd2O3-5TiO(2) composite ceramics using variable size TiO2 reagents
DOI:10.1016/j.ceramint.2011.04.070 JN:CERAMICS INTERNATIONAL PY:2012 TC:3 AU: Snashall, Amanda L.;Noren, Lasse;Liu, Yun;Yamashita, Toru;Brink, Frank;Withers, Raymond L.;
7:6:47:5 Characteristics of BaNd2Ti5O14 powders directly prepared by high-temperature spray pyrolysis
DOI:10.1016/j.ceramint.2009.06.022 JN:CERAMICS INTERNATIONAL PY:2010 TC:1 AU: Ko, You Na;Jung, Dae Soo;Han, Jin Man;Koo, Hye Young;Lee, Man-Jong;Kang, Yun Chan;
7:6:47:6 Effect of Bi2O3 and B2O3 additives on the sintering temperature, microstructure, and microwave dielectric properties for Sm(Mg0.5Ti0.5)O-3 ceramics
DOI:10.1016/j.ceramint.2010.11.017 JN:CERAMICS INTERNATIONAL PY:2011 TC:4 AU: Tay, Kok-Wan;Fu, Yen-Pei;Huang, Jen-Fen;Huang, Hung-Chi;
7:6:47:7 Microwave dielectric properties and microstructure of Sm(Mg0.5Ti0.5-xSnx)O-3 ceramics
DOI:10.1016/j.ceramint.2014.02.093 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Yao, Lichun;Yang, Ran;Qiu, Tai;
7:6:48:1 Temperature and frequency dependence of dielectric loss of Ba(Mg1/3Ta2/3)O-3 microwave ceramics
DOI:10.1016/j.jeurceramsoc.2009.04.027 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:11 AU: Shimada, T.;Ichikawa, K.;Minemura, T.;Kolodiazhnyi, T.;Breeze, Jonathan;Alford, Neil McN.;Annino, Giuseppe;
7:6:48:2 Frequency-dependent Qf value of low-loss Ba2Ti9O20 ceramics at microwave frequencies
DOI:10.1016/j.ceramint.2012.05.082 JN:CERAMICS INTERNATIONAL PY:2012 TC:4 AU: Li, Lei;Chen, Xiang Ming;
7:6:48:3 Frequency-Dependent Qf Value of Microwave Dielectric Ceramics
DOI:10.1111/jace.13199 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:1 AU: Li, Lei;Chen, Xiang Ming;
7:6:48:4 Raman scattering, electronic structure and microwave dielectric properties of Ba([Mg1-xZnx](1/3)Ta-2/3)O-3 ceramics
DOI:10.1016/j.ceramint.2011.09.018 JN:CERAMICS INTERNATIONAL PY:2012 TC:6 AU: Ning, Ping-Fan;Li, Ling-Xia;Zhang, Ping;Xia, Wang-Suo;
7:6:48:5 Abnormal variation of microwave dielectric properties in A/B site co-substituted (Ca1-0.3xLa0.2x)[(Mg1/3Ta2/3)(1-x)Ti-x]O-3 complex perovskite ceramics
DOI:10.1016/j.jeurceramsoc.2012.10.025 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:1 AU: Fu, Mao Sen;Ni, Lei;Chen, Xiang Ming;
7:6:48:6 Effect of Sample Size on Measurement Reliability of Microwave Dielectric Properties of Low-Loss Materials by a Resonant Cavity Method
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7:6:49:5 Phase transitions and microwave dielectric properties of Bi3NbO7 ceramics with Bi4B2O9 addition
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7:6:49:6 Dielectric Properties of Low-Firing Bi2Mo2O9 Thick Films Screen Printed on Al Foils and Alumina Substrates
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7:6:50:1 Direct Control of Defects on Positron Lifetimes and Dielectric Constant of Microwave Ceramics
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7:6:51:1 Effects of Ta2O5/Y2O3 Codoping on the Microstructure and Microwave Dielectric Properties of Ba(Co0.56Zn0.40)(1/3)Nb2/3O3 Ceramics
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7:6:51:3 Effects of Mg Substitution on Order/disorder Transition, Microstructure, and Microwave Dielectric Characteristics of Ba((Co0.6Zn0.4)1/3Nb2/3)O3 Complex Perovskite Ceramics
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7:6:51:6 Effect of Al2O3 Addition on Microwave Dielectric Properties of BaCo0.194Zn0.116Nb0.69O3 Ceramics
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7:6:52:2 Effect of Na2W2O7 addition on low-temperature sintering and microwave dielectric properties of CaWO4
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7:6:52:3 Sintering Behavior and Dielectric Properties of Ultra-Low Temperature Fired Silver Molybdate Ceramics
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7:6:52:5 Synthesis and Characterization of Solvothermal Processed Calcium Tungstate Nanomaterials from Alkoxide Precursors
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7:6:53:2 Low-firing of BiSbO4 microwave dielectric ceramic with V2O5-CuO addition
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7:6:53:4 Microwave dielectric properties of PTFE/CaTiO3 polymer ceramic composites
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7:6:53:6 Effects of Bi2Mo2O9 addition on the sintering characteristics and microwave dielectric properties of BiSbO4 ceramics
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7:6:54:2 Microwave dielectric properties of (1-x)Ca0.6La0.267TiO3 - xCa(Sm0.5Nb0.5)O-3 ceramics
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7:6:54:3 Structure and dielectric characterization of xNd(Mg1/2Ti1/2)O-3-(1-x) Ca0.6La0.8/3TiO3 in the microwave frequency range
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7:6:54:4 Low-temperature sintering and microwave dielectric properties of Nd(Co1/2Ti1/2)O-3 ceramics using glass addition of oxides
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7:6:55:1 Dielectric characteristics of polyvinylidene fluoride-polyaniline percolative composites up to microwave frequencies
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7:6:55:2 Measurement of Dielectric Properties of Pb(Zr0.52Ti0.48)O3, Ba0.5Sr0.5Nb2O6, and BaTiO3 Ferroelectric Ceramics at Microwave Frequencies
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7:6:55:3 Dielectric properties of CaCu3Ti4O12, Ba(Fe1/2Nb1/2)O-3, and Sr(Fe1/2Nb1/2)O-3 giant permittivity ceramics at microwave frequencies
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7:6:55:4 Polyvinylidene fluoride-modified BaTiO3 composites with high dielectric constant and temperature stability
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7:6:57:2 Effect of nonstoichiometry on the microstructure and microwave dielectric properties of Ba(Mg1/2W1/2)O-3 ceramics
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7:6:57:3 High-Temperature Decomposition of B-Site-Ordered Perovskite Ba(Zn1/2W1/2)O-3
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7:6:58:1 Sintering Mechanism and Microwave Dielectric Properties of Bi12TiO20 Ceramics
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7:6:58:2 Microstructure and microwave dielectric properties of Bi12SiO20 ceramics
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7:6:58:4 Sintering Process and Microwave Dielectric Properties of Bi8TiO14 Ceramics
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7:6:60:1 Densification and crystallization in crystallizable low temperature co-fired ceramics
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7:6:60:2 Localized Temperature Stability in Low-Temperature Cofired Ceramics
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7:7:1:1 Enhancement of Giant Dielectric Response in CaCu3Ti4O12 Ceramics by Zn Substitution
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7:7:1:2 Effects of Ta5+ doping on microstructure evolution, dielectric properties and electrical response in CaCu3Ti4O12 ceramics
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7:7:1:3 Enhancement of giant dielectric response in Ga-doped CaCu3Ti4O12 ceramics
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7:7:1:5 Evolution of the intergranular phase during sintering of CaCu3Ti4O12 ceramics
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7:7:1:7 Modified giant dielectric properties of samarium doped CaCu3Ti4O12 ceramics
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7:7:1:8 Microstructural evolution and Maxwell-Wagner relaxation in Ca2Cu2Ti4-xZrxO12: The important clue to achieve the origin of the giant dielectric behavior
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7:7:1:9 Giant Dielectric Constant and Good Temperature Stability in Y2/3Cu3Ti4O12 Ceramics
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7:7:1:10 Effect of oxygen sintering atmosphere on the electrical behavior of CCTO ceramics
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7:7:1:13 Liquid phase sintering behavior and improvement of giant dielectric properties by modifying microstructure and electrical response at grain boundaries of CaCu3Ti4-xMoxO12 ceramics
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7:7:1:15 Improved Dielectric and Nonlinear Electrical Properties of Fine-Grained CaCu3Ti4O12 Ceramics Prepared by a Glycine-Nitrate Process
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7:7:1:16 Very high-performance dielectric properties of Ca1-3x/2YbxCu3Ti4O12 ceramics
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7:7:1:17 Effects of Ga Substitution for Cu on Microstructure and Giant Dielectric Response of CaGaxCu3-xTi4O12 (x=0, 0.01, and 0.05) Ceramics
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7:7:1:18 Influence of zinc on electrical and microstructural properties of CaCu3Ti4O12 ceramics prepared by sol-gel process
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7:7:1:19 Dielectric and Varistor Behavior of CaCu3Ti4O12-MgTiO3 Composite Ceramics
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7:7:1:95 Dielectric properties of Sm-doped CaCu3Ti4O12 ceramics
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7:7:1:96 Effect of processing routes on microstructure, electrical and dielectric behavior of Mg-doped CaCu3Ti4O12 electro-ceramic
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7:7:1:97 Synthesis of the giant dielectric constant oxide CaCu3Ti4O12 via ethylenediaminetetraacetic acid precursor
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7:7:1:99 Microstructure and Dielectric Properties of Bismuth Copper Tantalate as Internal Barrier Layer Capacitor Ceramic
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7:7:1:100 Preparation of CCTO Powders and Ceramics by a Simple Solid State Mixed Oxide Method
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7:7:1:101 Effects of Rare-Earth Doping on Dielectric Properties of CaCu3Ti4O12 Ceramics
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7:7:1:102 Extraction and dielectric properties of curcuminoid films grown on Si substrate for high-k dielectric applications
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7:7:1:103 Comparative study of potassium hexatitanate (K2Ti6O13) whiskers prepared by sol-gel and solid state reaction routes
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7:7:1:104 Synthesis and sintering behavior of La0.8Sr0.2CrO3 by a glycine nitrate process
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7:7:1:105 CaCu3Ti4O12 Ceramic Synthesized by Sonochemical-Assisted Process
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7:7:1:106 Photo-assisted metal-organic chemical vapor deposition of CaCu3Ti4O12 (CCTO) thin films
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7:7:2:1:1 Studies of temperature dependent ac impedance of a negative temperature coefficient Mn-Co-Ni-O thin film thermistor
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7:7:2:1:2 Electrical conduction of intrinsic grain and grain boundary in Mn-Co-Ni-O thin film thermistors: Grain size influence
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7:7:2:1:3 Fabrication and properties of Mn1.56Co0.96Ni0.48O4 free-standing ultrathin chips
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7:7:2:1:4 Spin Spray-Deposited Nickel Manganite Thermistor Films For Microbolometer Applications
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7:7:2:1:5 In-plane impedance spectroscopy in aerosol deposited NiMn2O4 negative temperature coefficient thermistor films
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7:7:2:1:6 Effects of annealing temperature on microstructure and electrical properties of Mn-Co-Ni-O thin films
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7:7:2:1:7 Low-temperature (< 300 degrees C) growth and characterization of single-[100]-oriented Mn-Co-Ni-O thin films
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7:7:2:1:8 Variation in hopping conduction across the magnetic transition in spinel Mn1.56Co0.96Ni0.48O4 films
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7:7:2:1:9 Optical properties of Mn-Co-Ni-O thin films prepared by radio frequency sputtering deposition
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7:7:2:1:10 Micro structural, electrical and optical properties of highly (220) oriented spinel Mn-Co-Ni-O film grown by radio frequency magnetron sputtering
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7:7:2:1:11 Low Temperature Crystallization of Metastable Nickel Manganite Spinel Thin Films
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7:7:2:1:12 Investigation of cation distribution, electrical, magnetic properties and their correlation in Mn2-xCo2xNi1-xO4 films
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7:7:2:1:13 Far infrared and micro structural studies of mechanically activated nickel manganite
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7:7:2:1:15 Structural and electrical properties of Mn1.56Co0.96Ni0.48O4 NTC thermistor films
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7:7:2:1:16 Effect of oxygen partial pressure and temperature on NTC characteristics of Mn1.56Co0.96Ni0.48O4 thin films grown on SrTiO3 (100) by laser MBE
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7:7:2:1:20 Effect of Ca substitution on crystal structure and superconducting properties of ferromagnetic superconductor RuSr2-xCaxGd1.4Ce0.6Cu2O10-delta
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7:7:2:2:1 Influence of copper substitution on structural, electrical and dielectric properties of Ni(1-x)CuxMn2O4 (0 <= x <= 1) ceramics
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7:7:2:2:2 Improvement of structural and electrical properties of Mn-based thin film thermistors by a bilayer structure
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7:7:2:2:3 Preparation and characterization of Cu and Zn modified nickel manganite NTC powders and thick film thermistors
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7:7:2:2:6 Sintering temperature and impedance analysis of Mn0.9Co1.2Ni0.27Mg0.15Al0.03Fe0.45O4 NTC ceramic prepared by W/O microemulsion method
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7:7:2:2:8 Aging improvement in Cu-containing NTC ceramics prepared by co-precipitation method
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7:7:2:2:14 An efficient way to improve the electrical stability of Ni0.6Si0.2Al0.6Mn1.6O4 NTC thermistor
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7:7:2:2:16 Dielectric Spectroscopy and Microwave Conductivity of Bismuth Strontium Manganites at High Frequencies
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7:7:2:2:17 Proton conducting CaZr0.9In0.1O3-delta ceramic membrane prepared by tape casting
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7:7:2:3:3 Complex impedance analysis of (Y2O3 + CeO2)-YCr0.5Mn0.5O3 composite NTC ceramics
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7:7:2:3:6 Complex impedance spectroscopy of manganese oxide thin films
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7:7:2:3:7 Optical and structural properties of solution deposited nickel manganite thin films
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7:7:2:5:1 LaNiO3 conducting particle dispersed NiMn2O4 nanocomposite NTC thermistor thick films by aerosol deposition
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7:7:3:2 Oxygen-vacancy-related dielectric relaxations in SrTiO3 at high temperatures
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7:7:3:5 Origin of dielectric anomaly in double perovskite Ba2CoNbO6
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7:7:3:6 Dielectric properties of ErFeO3 ceramics over a broad temperature range
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7:7:3:7 High-Temperature Dielectric Relaxation in Pb(Mg1/3Nb2/3)O-3-PbTiO3 Single Crystals
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7:7:3:8 High temperature dielectric relaxation anomaly of Y3+ and Mn2+ doped barium strontium titanate ceramics
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7:7:3:9 Pseudo-relaxor behavior in Na1/2Bi1/2Cu3Ti4O12 ceramics
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7:7:3:10 Dielectric Relaxations and Phase Transition in Laser Crystals Gd2SiO5 and Yb-Doped Gd2SiO5
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7:7:4:7 Dielectric relaxations and phase-transition-like behavior in SmAlO3 ceramics at high temperatures
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7:7:4:11 Effect of Pr substitution on structural and dielectric properties of SrTiO3
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7:7:5:2 High-temperature impedance spectroscopy of BaFe0.5Nb0.5O3 ceramics doped with Bi0.5Na0.5TiO3
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7:7:5:3 Study of structural, dielectric and electrical behavior of (1-x)Ba(Fe0.5Nb0.5)O-3-xSrTiO(3) ceramics
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7:7:5:4 Microstructure and Electrical Properties of BaFe0.5Nb0.5O3 Doped with GeO2 (1-5 wt.%)
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7:7:5:5 Preparation and electrical properties of (1-x)Ba(Fe0.5Nb0.5)O-3-xBaTiO(3) ceramics
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7:7:5:6 Effects of BaO-B2O3-SiO2 glass additive on dielectric properties of Ba(Fe0.5Nb0.5)O-3 ceramics
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7:7:5:7 Giant dielectric permittivity and room temperature magnetodielectric study of BaTi0.2(Fe0.5Nb0.5)(0.8)O-3 nanoceramic
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7:7:5:8 Structure and dielectric properties of sodium-doped Ba(FeNb)(0.5)O-3
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7:7:5:9 Structure and Dielectric Properties of Lead-Free BaSn0.1Ti0.9O3-BaFe0.5Nb0.5O3 Ceramics
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7:7:5:11 Dielectric Relaxation and Electrical Properties of Lead-Free Perovskite BaGex(Fe0.5Nb0.5)(1-x)O-3 Ceramic
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7:7:5:12 Structural and Dielectric Properties of Ca Doped Barium Iron Niobate
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7:7:5:13 Origin of giant dielectric constant in Ba[(Fe1-xCox)(1/2)Nb-1/2]O-3
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7:7:5:14 Ba0.4Sr0.6(Fe0.5Nb0.5)O-3 ceramics with extended giant dielectric constant step and reduced dielectric loss
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7:7:5:15 Effects of GeO2 addition on physical and electrical properties of BaFe0.5Nb0.5O3 ceramic
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7:7:5:16 Structural, dielectric and electrical properties of BaFe0.5Nb0.5O3 ceramic prepared by solid-state reaction technique (vol 131, pg 535, 2011)
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7:7:6:1 Multi-functional properties of CaCu3Ti4O12 thin films
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7:7:6:2 CaCu3Ti4O12 thin film capacitors: Evidence of the presence of a Schottky type barrier at the bottom electrode
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7:7:6:3 The trap state relaxation related polarization in CaCu3Ti4O12
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7:7:6:5 Electric and dielectric behavior of CaCu3Ti4O12-based thin films obtained by soft chemical method
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7:7:6:7 Time-resolved spatial distribution of plasma in the ablation of a Ba0.6Sr0.4TiO3 target by 25 ns KrF ultraviolet laser
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7:7:6:8 Voltage dependent capacitances in CaCu3Ti4O12
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7:7:6:11 Experimental evidence of enhanced ferroelectricity in Ca doped BiFeO3
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7:7:6:12 Grain size effect on the giant dielectric and nonlinear electrical behaviors of Bi1/2Na1/2Cu3Ti4O12 ceramics
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7:7:6:13 Slow Relaxation Processes in CCTO Detected by Capacitance Versus Voltage Curves
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7:7:7:1 Impedance and modulus studies of magnetic ceramic oxide Ba2Co2Fe12O22 (Co2Y) doped with Bi2O3
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7:7:7:5 Role of defects in determining the electrical properties of ZnO ceramics
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7:7:7:6 Intrinsic and extrinsic defect relaxation behavior of ZnO ceramics
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7:7:7:7 Dielectric properties of bismuth doped CaCu3Ti4O12 ceramics
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7:7:8:1 CaCu3Ti4O12 electrospun fibre: A new form of CaCu3Ti4O12 and its dielectric property
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7:7:8:3 Room temperature ferromagnetism observed in pure La0.5Sr0.5TiO3 nanofibers fabricated by electrospinning
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7:7:8:4 Dielectric properties of Nb-doped CaCu3Ti4O12 electroceramics measured at high frequencies
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7:7:8:6 Investigation on effects of CuO secondary phase on dielectric properties of CaCu3Ti4O12 ceramics
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7:7:8:7 An effective way to tune the microstructure and dielectric properties of CaCu3Ti4O12 ceramics
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7:7:8:8 Structure and electrical response of CaCu(3)Ti(4)o(12) ceramics: Effect of heat treatments at the high vacuum
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7:7:8:9 Magnetic phase composition of strontium titanate implanted with iron ions
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7:7:8:10 Magnetic properties of Fe implanted SrTiO3 perovskite crystal
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7:7:9:1 Invited Paper: Dielectric Properties of CaCu3Ti4O12 Polycrystalline Ceramics
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7:7:9:2 Improved dielectric properties of BaTiO3-added CaCu3Ti4O12 polycrystalline ceramics
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7:7:9:4 Synthesis and Characterization of CdS Nanocrystals in a Novel Phosphate Glass
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7:7:9:5 Effect of Titanium on Structure of Sodium Borophosphate Glasses
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7:7:9:6 Comparative dielectric studies of nanostructured BaTiO3, CaCu3Ti4O12 and 0.5BaTiO(3)center dot 0.5CaCu(3)Ti(4)O(12) nano-composites synthesized by modified sol-gel and solid state methods
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7:7:9:9 Improved dielectric properties of the CaCu3Ti4O12 composites using BaTiO3-coated powder as precursor
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7:7:9:10 Mesoscopic Fluctuations of Electronic Structure Properties of Boron Phosphide Nanocrystals
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7:7:9:11 Gettering of Ni Silicide to Minimize the Leakage Current in Metal-Induced Crystallized Polycrystalline Silicon Thin-Film Transistors
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7:7:9:12 Subsolidus phase relations in the SrO-CuO-TiO2 ternary system at 950 degrees C in air
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7:7:9:13 Subsolidus Phase Relationship in the CaO-CuO-TiO2 Ternary System at 950 degrees C in Air
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7:7:9:14 Trap States of a-ZnO Thin Film Transistors
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7:7:9:15 Growth and characterization of CaCu3Ti4O12 single crystals
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7:7:10:1 Dielectric relaxation and polaronic conduction in double perovskite La2MgMnO6
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7:7:10:2 Structure and dielectric relaxation of double-perovskite La2CuTiO6 ceramics
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7:7:10:3 Low-Temperature Relaxations Associated with Mixed-Valent Structure in Sr2TiMnO6
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7:7:10:4 Impedance spectroscopic studies, dielectric properties and microstructure of rutile type chromium niobate CrNbO4
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7:7:10:5 Origin of Colossal Dielectric Behavior In Double Perovskite Ba2CoNbO6
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7:7:10:6 Microstructural Origin of Magnetic and Giant Dielectric Behavior of Sr2MnTiO6-delta Perovskite Nanocrystals
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7:7:10:7 Structure, dielectric, and magnetic properties of Sr2TiMnO6 ceramics
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7:7:10:8 Jahn-Teller assisted polaron hopping and associated dielectric response of PrFe0.5Mn0.5O2.95
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7:7:10:9 Polaronic relaxation in Ca2TiMnO6 at low temperatures
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7:7:10:10 Microstructure and colossal dielectric behavior of Ca2TiMnO6 ceramics
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7:7:11:1 Anomalous Increase of Dielectric Permittivity in Sr-Doped CCTO Ceramics Ca1-xSrxCu3Ti4O12 (0 <= x <= 0. 2)
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7:7:11:2 Quantum paraelectric glass state in SrCu3Ti4O12
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7:7:11:3 Nanoscale disorder and local electronic properties of CaCu3Ti4O12: An integrated study of electron, neutron, and x-ray diffraction, x-ray absorption fine structure, and first-principles calculations
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7:7:11:4 Effect of dispersant on CaCu3Ti4O12 powders synthesized by oxalate co-precipitation method
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7:7:11:5 Correlation Between Photoluminescence and Structural Defects in Ca1+xCu3-xTi4O12 Systems
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7:7:11:6 High-Pressure Synthesis, Structure, Dielectric and Magnetic Properties for SrCu3Ti4O12
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7:7:11:8 Correlation between the dielectric properties and local electronic structure of copper doped calcium titanate
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7:7:11:9 Glassy domain wall matter in KH2PO4 crystal: Field-induced transition
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7:7:11:10 Effect of the MgO substitution for CuO on the properties of CaCu3Ti4O12 ceramics
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7:7:11:11 Crystal structure and ferroelectric properties of Ca(Cu3-xMx)Ti4O12 (M = Fe and Ni) ceramics
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7:7:11:12 Local structure and electron spin resonance of copper-doped SrTiO3 ceramics
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7:7:12:2 Enhanced giant dielectric response in Al-substituted La1.75Sr0.25NiO4 ceramics
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7:7:12:3 Contribution of oxygen vacancies to the giant dielectric response in Sm1.5Sr0.5NiO4-delta ceramics
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7:7:12:5 Giant dielectric response and polaronic hopping in Al-substituted A(5/3)Sr(1/3)NiO(4) (A=La, Nd) ceramics
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7:7:12:7 Microstructure and modified giant dielectric response in Ga-doped La1.5Sr0.5NiO4 ceramics
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7:7:12:11 Structural, magnetic and dielectric properties of La2-xCaxNiO4+delta (x=0, 0 1, 0 2, 0 3)
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7:7:12:12 Dielectric relaxation in LaSrCo1-x Al (x) O-4 ceramics
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7:7:13:1 An aqueous-solution based low-temperature pathway to synthesize giant dielectric CaCu3Ti4O12-Highly porous ceramic matrix and submicron sized powder
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7:7:13:2 Mechanochemical synthesis and giant dielectric properties of CaCu3Ti4O12
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7:7:13:3 Structural and phase evolution in mechanically alloyed calcium copper titanate dielectrics
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7:7:13:4 Grain size effect on the giant dielectric constant of CaCu3Ti4O12 nanoceramics prepared by mechanosynthesis and spark plasma sintering
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7:7:13:5 Low dimensional fabrication of giant dielectric CaCu3Ti4O12 through soft e-beam lithography
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7:7:13:6 Giant dielectric constant in CaCu3Ti4O12 nanoceramics
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7:7:13:7 Microstructure and dielectric property of hot-pressed high density CaCu3Ti4O12 ceramics
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7:7:13:8 The ionic conductivity and dielectric properties of Ba1-xSnxF2 solid solutions prepared by mechanochemical milling
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7:7:13:9 Abnormal dielectric behaviors in Mn-doped CaCu3Ti4O12 ceramics and their response mechanism
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7:7:13:10 Electrospun ZrO2 fibers obtained from polyvinyl alcohol/zirconium n-propoxide composite fibers processed through halide free sol-gel route using acetic acid as a stabilizer
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7:7:14:1 Visible Light Photo-oxidation of Model Pollutants Using CaCu3Ti4O12: An Experimental and Theoretical Study of Optical Properties, Electronic Structure, and Selectivity
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7:7:14:2 Resistive-Switching Behavior in Polycrystalline CaCu3Ti4O12 Nanorods
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7:7:14:3 Anomalous change in dielectric constant of CaCu3Ti4O12 under violet-to-ultraviolet irradiation
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7:7:14:4 Negative magnetodielectric effect in CaCu3Ti4O12
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7:7:14:5 Discovery of strange kinetics in bulk material: Correlated dipoles in CaCu3Ti4O12
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7:7:14:6 Cole-Cole Broadening in Dielectric Relaxation and Strange Kinetics
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7:7:14:7 Low-Temperature Sputtering Deposition of Aligned Polycrystalline CaCu3Ti4O12 Nanorods
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7:7:14:8 Fractional power-law spectral response of CaCu3Ti4O12 dielectric: Many-body effects
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7:7:14:9 Dielectric, modulus and impedance spectroscopic studies of nanostructured CaCu2.70Mg0.30Ti4O12 electro-ceramic synthesized by modified sol-gel route
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7:7:14:10 Single crystalline nanostructures of giant dielectric calcium copper titanate: a convenient route toward materialization of hard to realize multi-component perovskite nanostructures
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7:7:14:11 Reorientable dipolar Cu-Ca antisite and anomalous screening in CaCu3Ti4O12
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7:7:14:12 Photo-induced change of dielectric response in BaCoSiO4 stuffed tridymite
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7:7:14:13 Pyroelectric properties of CaCu3Ti4O12 thin films grown by pulsed laser deposition
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7:7:15:2 Potassium doping effects on the structure and magnetic properties of Sr2FeMoO6
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7:7:15:3 Synthesis, structure, and high temperature Mossbauer and Raman spectroscopy studies of Ba1.6Sr1.4Fe2WO9 double perovskite
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7:7:15:4 Structure, Microstructure, and Microwave Dielectric Properties of (Sr2-xCax)(MgTe)O-6 Double Perovskites
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7:7:15:5 X-ray diffraction and Raman spectroscopy studies of temperature and composition induced phase transitions in Ba2-xSrxZnWO6 (0 <= x <= 2) double perovskite oxides
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7:7:15:6 Preparation and electrical properties of perovskite ceramics in the system BaBi1-xSbxO3 (0 <= x <= 0.5)
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7:7:15:7 Gd induced the variations of anti-site defect and magnetism in the double perovskite oxides Sr2FeMoO6
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7:7:15:8 Synthesis, characterization and electrical properties of the system LaMnxFe1-xO3
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7:7:15:11 Mixing of iron and molybdenum and photo-doping effect on Sr2FeMoO6
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7:7:15:12 Crystal Structure and Thermodynamic Properties of Barium-Thulium Bismuthate with Perovskite Structure
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7:7:15:13 First-principles study on the half-metallic Tc-doped Sr2FeReO6
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7:7:16:1 Excess-electron induced polarization and magnetoelectric effect in yttrium iron garnet
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7:7:16:6 Ferroelectric Behavior and Magnetocapacitance Effect Caused by Fe2+ in Ho3Fe5O12 Ceramics
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7:7:16:8 Study on Mechanical and Dielectric Properties of Holmium Iron Garnet Ceramics
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7:7:16:10 Quantum confinement effect on the vacancy-induced spin polarization in carbon, silicon, and germanium nanoparticles: Density functional analysis
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7:7:17:1 Effect of calcining temperature on structural and dielectric properties of Li0.30Cr0.02Ni0.68O ceramics
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7:7:17:2 Structural studies and magnetic and transport properties of Cr-substituted La0.67Ba0.33Mn1-xCrxO3 (0 <= x <= 0.15) perovskites
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7:7:17:3 Origin of colossal permittivity in BaTiO3 via broadband dielectric spectroscopy
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7:7:17:4 Giant dielectric response and charge compensation of Li- and Co-doped NiO ceramics
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7:7:17:5 Dielectric properties of CaCu3Ti4O12 improved by chromium/lanthanum co-doping
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7:7:17:6 Dielectric relaxation behaviour of Li and La co-doped NiO ceramics
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7:7:17:7 Improvement in dielectric properties of Al2O3-doped Li0.30Cr0.02Ni0.68O ceramics
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7:7:17:8 Effects of Li and Fe doping on dielectric relaxation behavior in (Li, Fe)-doped NiO ceramics
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7:7:17:9 Electrical and magnetic properties of La0.67Ba0.33Mn1-x (Me) (x) O-3 perovskite manganites: case of manganese substituted by trivalent (Me = Cr) and tetravalent (Me = Ti) elements
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7:7:17:10 The effect of Cr dopant concentration on electrical property of (V1-xCrx)(2)O-3 nano-grain ceramics
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7:7:18:1 Electrical transport properties of manganese containing pyrochlore type semiconducting oxides using impedance analyses
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7:7:18:2 Crystal structure and magnetic properties of double perovskite Mn2FeSbO6
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7:7:18:3 Electron transport properties of bis[2-(2-hydroxyphenyl)-pyridine]beryllium investigated by impedance spectroscopy
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7:7:18:4 Electrical conductivity of BaTi4O9 film prepared by laser chemical vapor deposition method
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7:7:18:5 Electrical conductivity and impedance spectroscopy studies of cerium based aeschynite type semiconducting oxides: CeTiMO6 (M = Nb or Ta)
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7:7:18:6 Synthesis, electrical and dielectric properties of (Na2O)(0.5)-(P2O5)(0.5) glass
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7:7:18:7 Synthesis under usual conditions, X-ray photoelectron spectroscopy and magnetic properties of Re1-xMnxO2 oxides with rutile structure
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7:7:18:8 Ionic conductivity and dielectric relaxation studies of LiNaSO4 single crystal
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7:7:18:9 Sintering effect on electrical properties of Li2TiO3
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7:7:18:10 Magnetic properties of R2Mn2O7 pyrochlore rare-earth solid solutions
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7:7:19:1 Defect studies of nanocrystalline zirconia powders and sintered ceramics
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7:7:19:2 Dielectric properties of CaCu3Ti4O12 (CCTO) doped with GeO2
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7:7:19:6 Effect of NiO-doping on the microstructure and the dielectric properties of CaCu3Ti4O12 ceramics
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7:7:19:7 Effect of cesium and cerium substitution on the dielectric properties of CaCu3Ti4O12 ceramics
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7:7:19:8 Positron annihilation study of defect distribution in 8YSZ nanostructure
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7:7:20:1 New Negative Temperature Coefficient Ceramics in Ca-Ce-Nb-M-O (M=Mo or W) System
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7:7:20:2 Synthesis and NTC properties of YCr1-xMnxO3 ceramics sintered under nitrogen atmosphere
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7:7:20:3 Novel Functional Nitrile Butadiene Rubber/Magnetite Nano Composites for NTCR Thermistors Application
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7:7:20:4 The optimal synthesis condition by sol-gel method and electrical properties of Mn1.5-xCo1.5NixO4 ceramics
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7:7:20:5 La2O3-doped 0.6Y(2)O(3)-0.4YCr(0.5)Mn(0.5)O(3) composite NTC ceramics for wide range of temperature sensing
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7:7:20:6 Spark plasma sintering of MgAl2O4-YCr0.5Mn0.5O3 composite NTC ceramics
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7:7:20:7 Novel electromagnetic interference shielding effectiveness in the microwave band of magnetic nitrile butadiene rubber/magnetite nanocomposites
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7:7:20:8 Negative temperature coefficient thermistor based on BaFe (x) Sn1-x O3-epsilon solid solutions
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7:7:21:1 Magnetic and electric properties of the lead free ceramic composite based on the BFN and ferrite powders
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7:7:21:2 High dielectric constant observed in (1-x)Ba(Zr0.07Ti0.93)O-3-xBa(Fe0.5Nb0.5)O-3 binary solid-solution
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7:7:21:3 Magnetoelectric coupling study in multiferroic Pb(Fe(0.5)Nb(0.5))O(3) ceramics through small and large electric signal standard measurements
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7:7:21:4 Properties of 0.94Bi(0.5)Na(0.5)TiO(3)-0.06BiAlO(3) Ceramics Prepared by Two Steps Sintering Technique
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7:7:21:5 Multiferroic properties and magnetoelectric coupling in highly textured Pb(Fe0.5Nb0.5)O-3 thin films obtained by RF sputtering
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7:7:21:6 Ceramics With Tetragonal Tungsten Bronze Type Structure For Textured Ceramics-Polymer Composites
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7:7:21:7 Dielectric Characteristics and Tunability of Barium Zirconium Titanate Ceramics Prepared by Two-Step Sintering Method
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7:7:21:8 Uniaxial Pressure Effect on Dielectric Properties of 0.7Na(0. 5)Bi(0.5)TiO(3)-0.3SrTiO(3) Ceramics
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7:7:21:9 Structural and dielectric properties of A(Fe1/2Ta1/2)O-3 [A = Ba, Sr, Ca]
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7:7:22:1 Extension of thickness-dependent dielectric breakdown law on adiabatically compressed ferroelectric materials
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7:7:22:2 Origin of thickness dependent dc electrical breakdown in dielectrics
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7:7:22:3 Depolarization mechanisms of PbZr0.52Ti0.48O3 and PbZr0.95Ti0.05O3 poled ferroelectrics under high strain rate loading
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7:7:22:5 Phase transition study of integrated circuit chip power supplying based on ferroelectric ceramic
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7:7:22:6 Electroacoustic response of 1-3 piezocomposite transducers for high power applications
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7:7:22:7 Characterization of piezoelectric ceramics and 1-3 composites for high power transducers
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7:7:22:8 Micro-power generator supplying source for integrated circuit chip based on Pb(Sn,Zr,Ti)O-3 ferroelectric ceramic
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7:7:22:9 Numeric description of space charge in polyethylene under ac electric fields
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7:7:22:10 Statistical behavior of electrical breakdown in insulating polymers
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7:7:23:1 Room temperature relaxor ferroelectricity and spin glass behavior in Sr2FeTiO6 double perovskite
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7:7:23:2 Giant low frequency dielectric tunability in high-k Ba(Fe1/2Nb1/2)O-3 ceramics at room temperature
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7:7:23:3 Ferroelectric relaxor behavior and dielectric spectroscopic study of 0.99(Bi0.5Na0.5TiO3)-0.01(SrNb2O6) solid solution
DOI:10.1016/j.jallcom.2010.12.195 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:4 AU: Singh, K. N.;Bajpai, P. K.;
7:7:23:4 Synthesis, structure and magnetic properties of disordered SrBiMTiO6 (M=Fe, Mn, Cr) double perovskites
DOI:10.1016/j.ceramint.2014.05.048 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Yao, Chuangang;Meng, Fanzhi;Liu, Xiaojuan;Han, Lin;Meng, Junling;Liang, Qingshuang;Meng, Jian;
7:7:23:5 Dielectric and ferroelectric properties of BiFeO3 ceramics sintered in different atmospheres
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7:7:23:6 Phase development and dielectric responses in PMN-BNT ceramics
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7:7:24:1 Low temperature dielectric relaxation in complex perovskite BaTi0.8(Ni0.5Nb0.5)(0.2)O-3 ceramics
DOI:10.1016/j.jallcom.2014.03.187 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:1 AU: Huang, Zhengliang;Zhang, Jingji;Ji, Ludong;Wang, Jiangying;Zhai, Jiwei;Yu, Faxin;
7:7:24:2 Correlations of dielectric properties with electronic structure and phonon vibration of low loss tunable Ba0.4Sr0.6Ti1-yMnyO3 ceramics
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7:7:24:3 A study of the structure and dielectric properties for high-valence compensation of Bi3+ ion-doped Ba(FeTa)(0.5)O-3 ceramics
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7:7:24:4 Structures and Microwave Dielectric Properties of Ba[Ti1-x(Co0.5W0.5)x]O3 (x=0.40-0.90) Perovskite Ceramics
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7:7:24:5 Dielectric abnormities in complex perovskite BaTi1-x(Co0.5Nb0.5)(x)O-3 ceramics
DOI:10.1016/j.matlet.2013.05.085 JN:MATERIALS LETTERS PY:2013 TC:1 AU: Zhou, Min;Zhang, Jingji;Ji, Rudong;Wang, Jiangying;Yu, Faxin;
7:7:24:6 Structural and Dielectric Characteristics in (1-x)Ba(Ni1/2W1/2)O-3-xBaTiO(3) Perovskite Solid Solutions
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7:7:24:7 Relaxor behavior and dielectric properties of Ba1-xBi2x/3Zr0.15Ti0.85O3 solid solution
DOI:10.1016/j.jallcom.2013.12.118 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:5 AU: Bahri, Fathi;Khemakhem, Hamadi;
7:7:24:8 Microwave dielectric properties of Ba[Ti0.4Ga0.3Nb0.3(l-x)Sb0.3x]O-3 perovskite ceramics
DOI:10.1016/j.materresbull.2012.11.001 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:0 AU: Tian, Cailan;Yue, Zhenxing;Zhou, Yuanyuan;
7:7:25:1 Electrical behaviors of (1-x)BZT07-xBNWT lead free solid solution binary system
DOI:10.1007/s13391-013-0015-3 JN:ELECTRONIC MATERIALS LETTERS PY:2013 TC:1 AU: Rujijanagul, Gobwute;Kruea-In, Chatchai;
7:7:25:2 Effects of NiO nanoparticles on electrical and magnetoelectric properties of BNT based ceramics
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7:7:25:3 Phase Evolution and Grain-Boundary Contributions in CaCu3-xZnxTi4O12
DOI:10.1007/s13391-011-0500-5 JN:ELECTRONIC MATERIALS LETTERS PY:2011 TC:3 AU: Kwon, Oh Hyeon;Kim, Byeong Kon;Jo, Yeon Hwa;Sankar, Paul Gouri;Jung, Yul Gyo;Jung, Tae Sung;Lee, Jung Won;Cho, Yong Soo;
7:7:25:4 Dielectric properties of (1-x)SrFe1/2Nb1/2O3-xBaZn(1/3)Ta(2/3)O(3) ceramics
DOI:10.1007/s13391-013-0036-y JN:ELECTRONIC MATERIALS LETTERS PY:2013 TC:0 AU: Phatungthane, Thanatep;Rujijanagul, Gobwute;
7:7:25:5 Electrical Properties of Lead-free (1-x)(Na0.5K0.5)NbO3-xBa(Zr0.52Ti0.48)O(3)Ceramics
DOI:10.1007/s13391-011-0904-2 JN:ELECTRONIC MATERIALS LETTERS PY:2011 TC:5 AU: Lee, Dong-Hyun;Lee, Seung-Hwan;Choi, Eui-Sun;Lee, Sang-Chul;Lee, Young-Hie;
7:7:25:6 Crystallite Size Effect on Voltage Tunable Giant Dielectric Permittivity of Nanocrystalline CuO
DOI:10.1007/s13391-012-2091-1 JN:ELECTRONIC MATERIALS LETTERS PY:2013 TC:3 AU: Prakash, T.;Murty, B. S.;Kaskhedikar, A. R.;Peshwe, P. D.;
7:7:25:7 Influence of bias voltage on dielectric relaxation of nanocrystalline anatase TiO2 using modulus formalism
DOI:10.1063/1.3567934 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Prakash, T.;Ramasamy, S.;Murty, B. S.;
7:7:25:8 Dielectric and Grain-Boundary Characteristics of Hot Pressed CaCu3Ti4O12
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7:7:26:1 Modified magnetic ground state in NiMn2O4 thin films
DOI:10.1103/PhysRevB.82.144419 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Nelson-Cheeseman, B. B.;Chopdekar, R. V.;Iwata, J. M.;Toney, M. F.;Arenholz, E.;Suzuki, Y.;
7:7:26:2 Thermomagnetic irreversibility and magnetic short range ordering in Mn2.5Co0.5O4 tetragonal spinel thin films
DOI:10.1063/1.3364051 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:6 AU: Kuo, K. M.;Chern, G.;Li, Y. Y.;Wang, C. R.;
7:7:26:3 Cation distribution in nickel manganese oxide
DOI:10.1063/1.3675151 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Cheng, S. L.;Lin, J. G.;Kuo, K. M.;Chern, Gung;
7:7:26:4 Structural and magnetic characterizations of Mn2CrO4 and MnCr2O4 films on MgO(001) and SrTiO3(001) substrates by molecular beam epitaxy
DOI:10.1063/1.3545802 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Jhuang, Yu-Cing;Kuo, K. M.;Chern, G.;
7:7:26:5 The magnetic Curie temperature and exchange coupling between cations in tetragonal spinel oxide Mn2.5M0.5O4 (M = Co, Ni, Mn, Cr, and Mg) films
DOI:10.1063/1.3672407 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Kuo, K.;Cheng, C. W.;Chern, G.;
7:7:26:6 The magnetization reversal and low field compensation in a Fe3O4/Mn3O4/Fe3O4 trilayer
DOI:10.1063/1.3562503 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:0 AU: Lin, S. C.;Kuo, K. M.;Chern, G.;
7:7:26:7 Magnetic properties of MnCr2O4 nanoparticle
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7:7:27:1 Nanoindentation of shock deformed alumina
DOI:10.1016/j.msea.2010.06.084 JN:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES PY:2010 TC:10 AU: Mukhopadhyay, Anoop K.;Joshi, Keshaw D.;Dey, Arjun;Chakraborty, Riya;Rav, Amit;Mandal, Ashok K.;Ghosh, Jiten;Bysakh, Sandip;Biswas, Sampad K.;Gupta, Satish C.;
7:7:27:2 Nanomechanical properties of AlN(103) thin films by nanoindentation
DOI:10.1016/j.jallcom.2009.11.166 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:13 AU: Jian, Sheng-Rui;Chen, Guo-Ju;Jang, Jason S-C.;Lai, Yi-Shao;
7:7:27:3 Shock deformation of coarse grain alumina above Hugoniot elastic limit
DOI:10.1007/s10853-010-4409-4 JN:JOURNAL OF MATERIALS SCIENCE PY:2010 TC:15 AU: Mukhopadhyay, Anoop K.;Joshi, Keshaw D.;Dey, Arjun;Chakraborty, Riya;Rav, Amit;Biswas, Sampad K.;Gupta, Satish C.;
7:7:27:4 Microstructural characterization of alumina-zirconia layered ceramics using positron annihilation spectroscopy
DOI:10.1016/j.actamat.2010.01.033 JN:ACTA MATERIALIA PY:2010 TC:3 AU: Parente, P.;Ortega, Y.;Savoini, B.;Monge, M. A.;Tucci, A.;Esposito, L.;Sanchez-Herencia, A. J.;
7:7:27:5 Characterization of residual compressive stresses in layered ceramics by positron annihilation spectroscopy
DOI:10.1016/j.jeurceramsoc.2012.06.006 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:3 AU: Parente, Paola;Ortega, Yanicet;Savoini, Begona;Monge, Miguel A.;Tucci, Antonella;Esposito, Leonardo;Ferrari, Begona;Javier Sanchez-Herencia, A.;
7:7:27:6 Evaluation of microwave processed glass-ceramic coating on nimonic superalloy substrate
DOI:10.1016/j.ceramint.2009.12.003 JN:CERAMICS INTERNATIONAL PY:2010 TC:6 AU: Das, S.;Mukhopadhyay, A. K.;Datta, S.;Basu, D.;
7:7:27:7 Cordierite based glass-ceramic glazed floor tiles by microwave processing
DOI:10.1016/j.matchar.2014.05.023 JN:MATERIALS CHARACTERIZATION PY:2014 TC:0 AU: Ghosh, Sumana;Pal, Kalyan Sundar;Mandal, Ashis Kumar;Biswas, Nilormi;Bhattacharya, Manjima;Bandyopadhyay, Payel;
7:7:27:8 Electron microscopy of shock deformation in alumina
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7:7:28:1 Spectroscopic ellipsometric modeling of a Bi-Te-Se write layer of an optical data storage device as guided by atomic force microscopy, scanning electron microscopy, and X-ray diffraction
DOI:10.1016/j.tsf.2014.08.026 JN:THIN SOLID FILMS PY:2014 TC:0 AU: Wang, Hao;Madaan, Nitesh;Bagley, Jacob;Diwan, Anubhav;Liu, Yiqun;Davis, Robert C.;Lunt, Barry M.;Smith, Stacey J.;Linford, Matthew R.;
7:7:28:2 Carbon-Coated Tellurium for Optical Data Storage
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7:7:28:3 Oxidation of graphene 'bow tie' nanofuses for permanent, write-once-read-many data storage devices
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7:7:28:4 Ultra-precision raster milling-induced phase decomposition and plastic deformation at the surface of a Zn-Al-based alloy
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7:7:28:5 Carbon/Ternary Alloy/Carbon Optical Stack on Mylar as an Optical Data Storage Medium to Potentially Replace Magnetic Tape
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7:7:28:6 Electropulsing-induced microstructure evolution and its effect on electrical conductivity of (Bi0.25Sb0.75)(2)Te-3 thin films
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7:7:28:7 Real time spectroscopic ellipsometry of Ag/ZnO and Al/ZnO interfaces for back-reflectors in thin film Si:H photovoltaics
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7:7:28:8 Approach for extracting complex dielectric function spectra in weakly-absorbing regions
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7:7:28:9 Static electropulsing-induced phase transformations of a cold-deformed ZA27 alloy
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7:7:29:1 High Performance Poly-Si Thin Film Transistors Fabricated by Self-Aligned Seed Induced Lateral Crystallization
DOI:10.1007/s13391-011-0410-6 JN:ELECTRONIC MATERIALS LETTERS PY:2011 TC:7 AU: Byun, Chang Woo;Son, Se Wan;Lee, Yong Woo;Yun, Seung Jae;Lee, Sang Joo;Joo, Seung Ki;
7:7:29:2 Using Phosphorus-Doped alpha-Si Gettering Layers to Improve NILC Poly-Si TFT Performance
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7:7:29:3 Effect of Ni silicide density on electrical performance of silicide-induced crystallized polycrystalline silicon thin-film transistors
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7:7:29:4 High Performance Low Temperature Polycrystalline Si Thin-Film Transistors Fabricated by Silicide Seed-Induced Lateral Crystallization
DOI:10.1007/s13391-012-2079-x JN:ELECTRONIC MATERIALS LETTERS PY:2012 TC:7 AU: Byun, Chang Woo;Son, Se Wan;Lee, Yong Woo;Joo, Seung Ki;
7:7:29:5 Fabrication of a High-Performance Poly-Si Thin-Film Transistor Using a Poly-Si Film Prepared by Silicide-Enhanced Rapid Thermal Annealing Process
DOI:10.1007/s13391-014-4095-5 JN:ELECTRONIC MATERIALS LETTERS PY:2014 TC:0 AU: Yang, Yong Ho;Ahn, Kyung Min;Kang, Seung Mo;Moon, Sun Hong;Ahn, Byung Tae;
7:7:29:6 Novel Crosslinked PVA Without Photoinitiator for Organic Passivation Layers of Pentacene Thin-Film Transistors
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7:7:29:7 Doping Effect on the Metal-induced Lateral Crystallization Rate
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7:7:29:8 Doping Effect on the Metal-induced Lateral Crystallization Rate (vol 8, pg 117, 2012)
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7:7:30:1 Dielectric, AC-impedance, modulus studies on 0.5BaTiO(3) center dot 0.5CaCu(3)Ti(4)O(12) nano-composite ceramic synthesized by one-pot, glycine-assisted nitrate-gel route
DOI:10.1016/j.ceramint.2014.04.001 JN:CERAMICS INTERNATIONAL PY:2014 TC:3 AU: Singh, Laxman;Rai, Uma Shanker;Mandal, Kamdeo;Sin, Byung Cheol;Lee, Sang-Ick;Lee, Youngil;
7:7:30:2 Temperature-dependent ac conductivity and dielectric response of vanadium doped CaCu3Ti4O12 ceramic
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7:7:30:3 Dielectric properties of zinc doped nanocrystalline calcium copper titanate synthesized by different approach
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7:7:30:4 Dielectric properties of CaCu3Ti4-xCoxO12 (x=0.10, 0.20, and 0.30) synthesized by semi-wet route
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7:7:30:5 Sintering Effects on Dielectric Properties of Zn-Doped CaCu3Ti4O12 Ceramic Synthesized by Modified Sol-Gel Route
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7:7:31:1 Thin film colossal dielectric constant oxide La2-xSrxNiO4: Synthesis, dielectric relaxation measurements, and electrode effects
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7:7:31:2 Schottky barrier height and conduction mechanisms in ferroelectric bismuth titanate
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7:7:31:3 Heteroepitaxy and crystallographic orientation transition in La1.875Sr0.125NiO4 thin films on single crystal SrTiO3
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7:7:31:4 Leakage behaviors of ferroelectric (Bi3.15Nd0.85)Ti3O12 thin film derived from RF sputtering
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7:7:31:5 Thickness-dependent orientation evolution in nickel thin films grown on yttria-stabilized zirconia single crystals
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7:7:32:1 Colossal dielectric constant of poly- and single-crystalline CaCu3Ti4O12 fibres grown by the laser floating zone technique
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7:7:32:2 Effect of Processing Parameters on Ferroelectric Properties of 0.5(Ba,Ca)TiO3-0.5Ba(Zr,Ti)O-3:Bulk, Thin Films and Fibers
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7:7:32:3 Reassessment of the impedance spectra and dielectric responses of undoped and CaSiO3-doped CaCu3Ti4O12
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7:7:32:4 Effects of Mn doping on the electrical and dielectric properties of CaCu3Ti4O12 fibres
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7:7:32:5 Role of strained nano-regions in the formation of subgrains in CaCu3Ti4O12
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7:7:32:6 Enhancement of superconductivity in LFZ-grown BSCCO fibres by steeper axial temperature gradients
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7:7:32:7 Effect of Pb doping on the electrical properties of textured Bi-2212 superconductors
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7:7:33:1 Nanocrystals of a new complex perovskite dielectric Ba2TmSbO6
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7:7:33:2 Magnetic properties of Ba2HoSbO6 with a frustrated lattice geometry
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7:7:33:3 Structural, vibrational and electrical properties of ordered double perovskite oxide BaLaMnSbO6
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7:7:33:4 Effect of indium doping on structural, magnetic and transport properties of ordered Sr2FeMoO6 double perovskite
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7:7:33:5 FT-Raman and FT-IR vibrational spectroscopic studies of Sr2RESbO6 (RE = La to Lu and Y) double perovskites
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7:7:33:6 Strong correlation between structural, magnetic and transport properties of non-stoichiometric Sr2FexMo2-xO6 ( 0.8 <= x <= 1.5) double perovskites
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7:7:33:7 First-principles study of structural, vibrational and dielectric properties of double perovskites Ba(2)LnSbO(6) (Ln = Sm, Gd, Dy and Y)
DOI:10.1016/j.jallcom.2012.08.106 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:0 AU: Karandeep;Gupta, H. C.;Kumar, S.;
7:7:34:1 Synthesis, characterization of double perovskite Ca2MSbO6 (M = Dy, Fe, Cr, Al) materials via sol-gel auto-combustion and their catalytic properties
DOI:10.1016/j.matchar.2013.07.005 JN:MATERIALS CHARACTERIZATION PY:2013 TC:0 AU: Feraru, S.;Samoila, P.;Borhan, A. I.;Ignat, M.;Iordan, A. R.;Palamaru, M. N.;
7:7:34:2 Electronic, crystal structure and morphological properties of the Sr2DyRuO6 double perovskite
DOI:10.1016/j.matlet.2012.05.041 JN:MATERIALS LETTERS PY:2012 TC:8 AU: Triana, C. A.;Landinez Tellez, D. A.;Arbey Rodriguez, J.;Fajardo, F.;Roa-Rojas, J.;
7:7:34:3 Crystal and magnetic study of the disordered perovskites Ca(Mn0.5Sb0.5)O-3 and Ca(Fe0.5Sb0.5)O-3
DOI:10.1016/j.materresbull.2010.06.036 JN:MATERIALS RESEARCH BULLETIN PY:2010 TC:7 AU: Retuerto, M.;Martinez-Lope, M. J.;Garcia-Hernandez, M.;Munoz, A.;Fernandez-Diaz, M. T.;Alonso, J. A.;
7:7:34:4 High temperature-induced phase transitions in Sr2GdRuO6 complex perovskite
DOI:10.1016/j.materresbull.2011.08.024 JN:MATERIALS RESEARCH BULLETIN PY:2011 TC:7 AU: Triana, C. A.;Corredor, L. T.;Landinez Tellez, D. A.;Roa-Rojas, J.;
7:7:34:5 Synthesis, structural and electrical properties of double perovskite Sr2NiMoO6 ceramics
DOI:10.1007/s00339-011-6744-y JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2012 TC:2 AU: Prasatkhetragarn, A.;Kaowphong, S.;Yimnirun, R.;
7:7:34:6 Hydrothermal synthesis and Sb-121 Mossbauer characterization of perovskite-type oxides: Ba(2)SbLnO(6) (Ln=Pr, Nd, Sm, Eu)
DOI:10.1016/j.matchar.2010.02.012 JN:MATERIALS CHARACTERIZATION PY:2010 TC:4 AU: Wu, Liyan;Ma, Jianmin;Huang, Hongbo;Tian, Ruifang;Zheng, Wenjun;Hsia, Yuanfu;
7:7:34:7 Synthesis process and structural characterization of the Sr2EuRuO6 complex perovskite
DOI:10.1016/j.jallcom.2011.12.033 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:3 AU: Triana, C. A.;Landinez Tellez, D. A.;Roa-Rojas, J.;
7:7:34:8 Rotational and translational distortions of the crystal structure of the Sr(2)HrRuO(6) (Hr = Ho, Dy, Gd, Eu) complex perovskites
DOI:10.1016/j.matchemphys.2013.02.061 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2013 TC:3 AU: Triana, C. A.;Landinez Tellez, D. A.;Roa-Rojas, J.;
7:7:35:1:1 Effect of Pad Surface Roughness on Material Removal Rate in Chemical Mechanical Polishing Using Ultrafine Colloidal Ceria Slurry
DOI:10.1007/s13391-012-2144-5 JN:ELECTRONIC MATERIALS LETTERS PY:2013 TC:3 AU: Han, Sol;Kim, Hong Jin;Hong, Myung Ki;Kwon, Byoung Ho;Lee, Kuntack;Ko, Youngsun;
7:7:35:1:2 Correlation between Process Parameters and Electrochemical Surface State for Electrochemical-mechanical Polishing Application of Copper in Acid- and Alkali-based Electrolyte
DOI:10.1007/03391-011-1000-3 JN:ELECTRONIC MATERIALS LETTERS PY:2012 TC:2 AU: Lee, Youngkyun;Seo, Yong-Jin;Yang, Jun-Won;Kim, Hyung-Ho;Park, Yeongbong;Jeong, Haedo;
7:7:35:1:3 Effect of heat according to wafer size on the removal rate and profile in CMP process
DOI:10.1007/s13391-013-6003-9 JN:ELECTRONIC MATERIALS LETTERS PY:2013 TC:1 AU: Park, Yeongbong;Lee, Youngkyun;Lee, Hyunseop;Jeong, Haedo;
7:7:35:1:4 Evaluation of Oxide-Chemical Mechanical Polishing Characteristics Using Ceria-Mixed Abrasive Slurry
DOI:10.1007/s13391-012-2056-4 JN:ELECTRONIC MATERIALS LETTERS PY:2012 TC:4 AU: Lee, Youngkyun;Seo, Yong-Jin;Jeong, Haedo;
7:7:35:2:1 First observation on the feasibility of scratch formation by pad-particle mixture in CMP process
DOI:10.1016/j.apsusc.2012.05.044 JN:APPLIED SURFACE SCIENCE PY:2012 TC:4 AU: Sung, In-Ha;Kim, Hong Jin;Yeo, Chang Dong;
7:7:35:2:2 Investigation on Surface Hardening of Polyurethane Pads During Chemical Mechanical Polishing (CMP)
DOI:10.1007/s11664-009-1064-0 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2010 TC:6 AU: Yang, Ji Chul;Oh, Dong Won;Kim, Ho Joong;Kim, Taesung;
7:7:35:2:3 Experimental Evaluation of the Effect of Pad Debris Size on Microscratches during CMP Process
DOI:10.1007/s11664-012-2334-9 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2013 TC:0 AU: Yang, Ji Chul;Kim, Hojoong;Oh, Dong Won;Won, Jai-Hyung;Lee, Chil-Gee;Kim, Taesung;
7:7:36:1 Red shift and higher photoluminescence emission of CCTO thin films undergoing pressure treatment
DOI:10.1016/j.jallcom.2013.08.210 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:0 AU: Sequinel, T.;Garcia, I. G.;Tebcherani, S. M.;Kubaski, E. T.;Oliveira, L. H.;Siu Li, M.;Longo, E.;Varela, J. A.;
7:7:36:2 Nanomechanical properties of glass-ceramic films obtained by pressure impregnation of oxide powders on commercial float glass surfaces
DOI:10.1016/j.jnoncrysol.2009.11.006 JN:JOURNAL OF NON-CRYSTALLINE SOLIDS PY:2010 TC:4 AU: Cava, S.;Sequinel, T.;Tebcherani, S. M.;Michel, M. D.;Lepienski, C. M.;Varela, J. A.;
7:7:36:3 Intense photoluminescence emission at room temperature in calcium copper titanate powders
DOI:10.1016/j.ceramint.2012.11.034 JN:CERAMICS INTERNATIONAL PY:2013 TC:4 AU: Moura, F.;Simoes, A. Z.;Deus, R. C.;Silva, M. R.;Varela, J. A.;Longo, E.;
7:7:36:4 IR reflectance characterization of glass-ceramic films obtained by high pressure impregnation of SnO2 nanopowders on float glass
DOI:10.1016/j.ceramint.2011.01.013 JN:CERAMICS INTERNATIONAL PY:2011 TC:2 AU: Sequinel, T.;Cava, S.;Pimenta, J. O.;Pianaro, S. A.;Tebcherani, S. M.;Varela, J. A.;
7:7:36:5 Effect of temperature on glass-ceramic films prepared by impregnation of commercial float glass surfaces with oxide powders under pressure
DOI:10.1016/j.tsf.2010.05.087 JN:THIN SOLID FILMS PY:2010 TC:2 AU: Cava, S.;Sequinel, T.;Tebcherani, S. M.;Lazaro, S. R.;Pianaro, S. A.;Varela, J. A.;
7:7:37:1 Non-symmetric superparamagnetic clusters in the relaxor manganites Sr2-xBixMnTiO6 (0 <= x <= 0.75)
DOI:10.1039/c2jm30670k JN:JOURNAL OF MATERIALS CHEMISTRY PY:2012 TC:2 AU: Alvarez-Serrano, Inmaculada;Luisa Lopez, M.;Rubio, Fausto;Garcia-Hernandez, Mar;Cuello, Gabriel J.;Pico, Carlos;Luisa Veiga, M.;
7:7:37:2 Room temperature electroresistance in Sr2-xGdxMnTiO6 perovskites (0 <= x <= 1)
DOI:10.1016/j.jallcom.2011.01.130 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:5 AU: Biskup, N.;Garcia-Hernandez, M.;Alvarez-Serrano, I.;Lopez, M. L.;Veiga, M. L.;
7:7:37:3 Structural Characterization and Evolution of the Electronic Behavior of New Sr2-xGdxMnTiO6 (0 <= x <= 1) Perovskites
DOI:10.1111/j.1551-2916.2010.04054.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:3 AU: Alvarez-Serrano, Inmaculada;Luisa Lopez, M.;Angeles Arillo, M.;Garcia-Hernandez, Mar;Rodriguez-Castellon, Enrique;Jimenez-Lopez, A.;Luisa Veiga, M.;Pico, Carlos;
7:7:37:4 Magnetization and neutron diffraction studies on Sr2TiMnO6
DOI:10.1063/1.3562917 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Lamsal, Jagat;Mondal, Rajib;Kumar, Anil;Bharathi, K. Kamala;Santhosh, P. N.;Nirmala, R.;Nigam, A. K.;Yelon, W. B.;Quezado, S.;Malik, S. K.;
7:7:38:1 Atomic scale study of thermal reduction of nano goethite coexisting with magnetite
DOI:10.1063/1.4790614 JN:AIP ADVANCES PY:2013 TC:3 AU: Singh, L. Herojit;Govindaraj, R.;Mythili, R.;Amarendra, G.;Sundar, C. S.;
7:7:38:2 Size-dependent magnetic ordering and spin dynamics in DyPO4 and GdPO4 nanoparticles
DOI:10.1103/PhysRevB.84.094408 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Evangelisti, Marco;Sorop, Tibi G.;Bakharev, Oleg N.;Visser, Dirk;Hillier, Adrian D.;Alonso, Juan J.;Haase, Markus;Boatner, Lynn A.;de Jongh, L. Jos;
7:7:38:3 Thermoinduced magnetic moment in akaganeite nanoparticles
DOI:10.1103/PhysRevB.83.214426 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Urtizberea, A.;Luis, F.;Millan, A.;Natividad, E.;Palacio, F.;Kampert, E.;Zeitler, U.;
7:7:38:4 Local structure and magnetic properties of cubic iron oxide nanoparticles formed in zeolite as deduced using Mossbauer spectroscopy
DOI:10.1063/1.4828498 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Singh, L. Herojit;Govindaraj, R.;Amarendra, G.;Sundar, C. S.;
7:7:38:5 A muon spin relaxation study of the metal-organic magnet Ni(TCNQ)(2)
DOI:10.1063/1.4798616 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Berlie, Adam;Terry, Ian;Giblin, Sean;Lancaster, Tom;Szablewski, Marek;
7:7:38:6 Magnetically induced structural reorientation in magnetite studied by nuclear magnetic resonance
DOI:10.1063/1.3501108 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:7 AU: Chlan, V.;Kouril, K.;Stepankova, H.;Reznicek, R.;Stepanek, J.;Tabis, W.;Krol, G.;Tarnawski, Z.;Kakol, Z.;Kozlowski, A.;
7:7:39:1 Selective substitution and tetragonality by Co-doping of dysprosium and thulium on dielectric properties of barium titanate ceramics
DOI:10.1007/s13391-011-0612-y JN:ELECTRONIC MATERIALS LETTERS PY:2011 TC:8 AU: Kim, Jungdae;Kim, Dowan;Kim, Jinseong;Kim, Yong-nam;Hui, K. N.;Lee, Heesoo;
7:7:39:2 Phase and electrical properties of PZT thin films embedded with CuO nano-particles by a hybrid sol-gel route
DOI:10.1007/s13391-013-0009-1 JN:ELECTRONIC MATERIALS LETTERS PY:2013 TC:4 AU: Sreesattabud, Tharathip;Gibbons, Brady J.;Watcharapasorn, Anucha;Jiansirisomboon, Sukanda;
7:7:39:3 Properties of BaTiO3 Films Sputter Deposited on PET for Pulse Power Capacitors
DOI:10.1080/00150193.2013.848761 JN:FERROELECTRICS PY:2013 TC:0 AU: Park, Sang Shik;
7:7:39:4 High Resolution 3-D Imaging for characteristics of (111)-Oriented Pb(Zr0.35Ti0.65)O-3 Thin Film by Using Time-of-Flight Secondary Ion Mass Spectrometry and Piezoresponse Force Microscopy
DOI:10.1007/s13391-011-0916-y JN:ELECTRONIC MATERIALS LETTERS PY:2011 TC:5 AU: Shin, Hyun-Chang;Song, Joon-Tae;
7:7:40:1 Bipolar carrier transport in tris(8-hydroxy-quinolinato) aluminum observed by impedance spectroscopy measurements
DOI:10.1063/1.3615950 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:15 AU: Ishihara, Shingo;Hase, Hiroyuki;Okachi, Takayuki;Naito, Hiroyoshi;
7:7:40:2 High-efficiency green phosphorescent organic light-emitting diodes with double-emission layer and thick N-doped electron transport layer
DOI:10.1016/j.tsf.2013.05.012 JN:THIN SOLID FILMS PY:2014 TC:1 AU: Nobuki, Shunichiro;Wakana, Hironori;Ishihara, Shingo;Mikami, Akiyoshi;
7:7:40:3 Determination of electron mobility in tris(8-hydroxy-quinolinato) aluminum by admittance spectroscopy
DOI:10.1063/1.4821280 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Wang, Yanping;Chen, Jiangshan;Dong, Lisong;Ma, Dongge;
7:7:40:4 Characterization of defects in Mg doped GaN epitaxial layers using conductance measurements
DOI:10.1016/j.tsf.2011.11.020 JN:THIN SOLID FILMS PY:2012 TC:6 AU: Elsherif, O. S.;Vernon-Parry, K. D.;Dharmadasa, I. M.;Evans-Freeman, J. H.;Airey, R. J.;Kappers, M. J.;Humphreys, C. J.;
7:7:40:5 Demonstration of determination of electron and hole drift-mobilities in organic thin films by means of impedance spectroscopy measurements
DOI:10.1016/j.tsf.2013.08.022 JN:THIN SOLID FILMS PY:2014 TC:6 AU: Ishihara, Shingo;Hase, Hiroyuki;Okachi, Takayuki;Naito, Hiroyoshi;
7:7:40:6 Impedance spectroscopy for high resolution measurements of energetic distributions of localized states in organic semiconductors
DOI:10.1016/j.tsf.2013.05.159 JN:THIN SOLID FILMS PY:2014 TC:1 AU: Hase, Hiroyuki;Okachi, Takayuki;Ishihara, Shingo;Nagase, Takashi;Kobayashi, Takashi;Naito, Hiroyoshi;
7:7:41:1 Effect of annealing conditions on the magnetism of Ni-doped La0.4Sr0.6TiO3-delta powders
DOI:10.1016/j.jmmm.2009.08.031 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:6 AU: Liu, K. L.;Yuan, S. L.;Tian, Z. M.;He, J. H.;Li, P.;Yin, S. Y.;Zheng, X. F.;Wang, C. H.;Duan, H. N.;Huo, S. X.;
7:7:41:2 Synthesis, magnetization, and photocatalytic activity of LaFeO3 and LaFe0.9Mn0.1O3-delta
DOI:10.1007/s10853-012-6845-9 JN:JOURNAL OF MATERIALS SCIENCE PY:2013 TC:4 AU: Wei, Zhi-Xian;Wang, Yan;Liu, Ji-Ping;Xiao, Cai-Mei;Zeng, Wei-Wei;Ye, Shao-Bo;
7:7:41:3 Preparation of SrTi0.1Fe0.9O3-delta and its photocatalysis activity for degradation of methyl orange in water
DOI:10.1016/j.matchemphys.2011.09.038 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:5 AU: Chen, Hong-Xia;Wei, Zhi-Xian;Wang, Yan;Zeng, Wei-Wei;Xiao, Cai-Mei;
7:7:41:4 Synthesis, magnetization and photocatalytic activity of LaFeO3 and LaFe0.5Mn0.5-xO3-delta
DOI:10.1016/j.matchemphys.2012.07.052 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:9 AU: Wei, Zhi-Xian;Wang, Yan;Liu, Ji-Ping;Xiao, Cai-Mei;Zeng, Wei-Wei;
7:7:42:1 Dielectric relaxation behaviors of pure and Pr6O11-doped CaCu3Ti4O12 ceramics in high temperature range
DOI:10.1016/j.jallcom.2011.02.105 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:8 AU: Xu, L. F.;Qi, P. B.;Song, X. P.;Luo, X. J.;Yang, C. P.;
7:7:42:2 Effects of praseodymium substitution on electrical properties of CaCu3Ti4O12 ceramics
DOI:10.1016/j.ceramint.2013.05.121 JN:CERAMICS INTERNATIONAL PY:2014 TC:6 AU: Rai, Alok Kumar;Gim, Jihyeon;Shin, Eui-chol;Seo, Hyun-Ho;Mathew, Vinod;Mandal, K. D.;Parkash, Om;Lee, Jong-Sook;Kim, Jaekook;
7:7:42:3 Positive temperature coefficient resistor behavior in praseodymium-doped ZnO (000(1)over-bar) vertical bar (000(1)over-bar) boundaries
DOI:10.1063/1.3432444 JN:APPLIED PHYSICS LETTERS PY:2010 TC:3 AU: Lee, Jong-Sook;Kim, Yong;Shin, Eui-Chol;Maier, Joachim;
7:7:42:4 Positive temperature coefficient resistor behavior in praseodymium-doped ZnO (000(1)over-bar)vertical bar(000(1)over-bar) boundaries (vol 96, 202104, 2010)
DOI:10.1063/1.3453760 JN:APPLIED PHYSICS LETTERS PY:2010 TC:0 AU: Lee, Jong-Sook;Kim, Yong;Shin, Eui-Chol;Maier, Joachim;
7:7:42:5 Structural, dielectric properties and electrical conduction behaviour of Dy substituted CaCu3Ti4O12 ceramics
DOI:10.1016/j.ceramint.2012.05.078 JN:CERAMICS INTERNATIONAL PY:2012 TC:0 AU: Kashyap, Raman;Mishra, R. K.;Thakur, O. P.;Tandon, R. P.;
7:7:43:1 Electrical conductivity anomaly and X-ray photoelectron spectroscopy investigation of YCr1-xMnxO3 negative temperature coefficient ceramics
DOI:10.1063/1.4868435 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Zhang, Bo;Zhao, Qing;Chang, Aimin;Li, Yiyu;Liu, Yin;Wu, Yiquan;
7:7:43:2 Hydroxide precursors to produce nanometric YCrO3: Characterization and conductivity analysis
DOI:10.1016/j.materresbull.2012.02.043 JN:MATERIALS RESEARCH BULLETIN PY:2012 TC:5 AU: Duran, A.;Meza F, C.;Carbajal Arizaga, Gregorio Guadalupe;
7:7:43:3 Biferroic LuCrO3: Structural characterization, magnetic and dielectric properties
DOI:10.1016/j.matchemphys.2013.11.026 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2014 TC:0 AU: Duran, A.;Meza F, C.;Moran, E.;Alario-Franco, M. A.;Ostos, C.;
7:7:43:4 Moisture sensitivity of YCr(1-x)MnxO3 perovskites
DOI:10.1016/j.ceramint.2009.10.021 JN:CERAMICS INTERNATIONAL PY:2010 TC:5 AU: Nivot, Christelle;Bernard, Jerome;Lelievre, C.;Haussonne, Jean-Marie;Houivet, David;
7:7:44:1 Planarized thick copper gate polycrystalline silicon thin film transistors for ultra-large AMOLED displays
DOI:10.1007/s13391-012-2122-y JN:ELECTRONIC MATERIALS LETTERS PY:2012 TC:8 AU: Yun, Seung Jae;Lee, Yong Woo;Son, Se Wan;Byun, Chang Woo;Reddy, A. Mallikarjuna;Joo, Seung Ki;
7:7:44:2 Threshold Voltage Model of Fast-Moving Ball Actuator
DOI:10.1007/s13391-013-3227-7 JN:ELECTRONIC MATERIALS LETTERS PY:2014 TC:0 AU: Hong, MunPyo;Lee, Jongmo;Jhun, Chul Gyu;Yoon, Ho Won;Bae, Byung Seong;Han, Seungoh;
7:7:44:3 Red fluorescent DCM derivatives with the bulky adamantyl and bicyclo[2,2,2]octyl groups for organic light emitting diodes (OLEDs)
DOI:10.1007/s13391-013-6007-5 JN:ELECTRONIC MATERIALS LETTERS PY:2013 TC:1 AU: Jang, Heung Soo;Lee, Kum Hee;Lee, Seok Jae;Kim, Young Kwan;Yoon, Seung Soo;
7:7:44:4 Soluble N-Type organic thin-film transistors with enhanced electrical characteristics
DOI:10.1007/s13391-013-6031-5 JN:ELECTRONIC MATERIALS LETTERS PY:2013 TC:4 AU: Lee, Ho Won;Lee, Seok Jae;Koo, Ja Ryong;Cho, Eou Sik;Kwon, Sang Jik;Kim, Woo Young;Park, Jaehoon;Kim, Young Kwan;
7:7:44:5 Investigation of the instability of low-temperature poly-silicon thin film transistors under a negative bias temperature stress
DOI:10.1007/s13391-013-3173-4 JN:ELECTRONIC MATERIALS LETTERS PY:2013 TC:0 AU: Kim, Yu-Mi;Jeong, Kwang-Seok;Yun, Ho-Jin;Yang, Seung-Dong;Lee, Sang-Youl;Lee, Hi-Deok;Lee, Ga-Won;
7:7:45:1 Soft-mode behavior and incipient ferroelectricity in Na1/2Bi1/2Cu3Ti4O12
DOI:10.1103/PhysRevB.81.224112 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Ferrarelli, Matthew C.;Nuzhnyy, Dmitry;Sinclair, Derek C.;Kamba, Stanislav;
7:7:45:2 Influence of oxygen vacancy on the electronic structure of CaCu3Ti4O12 and its deep-level vacancy trap states by first-principle calculation
DOI:10.1063/1.3697899 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Xiao, H. B.;Yang, C. P.;Huang, C.;Xu, L. F.;Shi, D. W.;Marchenkov, V. V.;Medvedeva, I. V.;Baerner, K.;
7:7:45:3 Intrinsic and extrinsic dielectric responses of CaCu3Ti4O12 thin films
DOI:10.1063/1.3644962 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Rubinger, C. P. L.;Moreira, R. L.;Ribeiro, G. M.;Matinaga, F. M.;Laurent, S. Autier;Mercey, B.;Lobo, R. P. S. M.;
7:7:46:1 Intergrain connectivity of MgB2 ceramics studied by impedance analysis
DOI:10.1063/1.3462398 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:9 AU: Wang, C. C.;Wang, C.;Zeng, R.;Dou, S. X.;
7:7:46:2 Defect structure of ultrafine MgB2 nanoparticles
DOI:10.1063/1.4902375 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Bateni, Ali;Repp, Sergej;Thomann, Ralf;Acar, Selcuk;Erdem, Emre;Somer, Mehmet;
7:7:46:3 Influence of Mg deficiency on crystal structure and superconducting properties in MgB2 single crystals
DOI:10.1103/PhysRevB.81.054520 JN:PHYSICAL REVIEW B PY:2010 TC:2 AU: Zhigadlo, N. D.;Katrych, S.;Karpinski, J.;Batlogg, B.;Bernardini, F.;Massidda, S.;Puzniak, R.;
7:7:46:4 Superconducting transition width under magnetic field in MgB2 polycrystalline samples
DOI:10.1063/1.3488631 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:0 AU: Wang, C. C.;Zeng, R.;Xu, X.;Dou, S. X.;
7:7:47:1 Effects of BaO-B2O3-SiO2 glass additive on dielectric properties of Ba(Co0.5Nb0.5)O-3 ceramics
DOI:10.1016/j.matlet.2014.05.181 JN:MATERIALS LETTERS PY:2014 TC:0 AU: Wang, Zhuo;Li, Hai Juan;Zhang, Liang Liang;Wen, Yong Fei;Pu, Yong Ping;
7:7:47:2 Influence of Ba-Zn-B additives on the sintering behavior and dielectric properties of BaNd2Ti4O12 ceramics
DOI:10.1016/j.matlet.2011.11.003 JN:MATERIALS LETTERS PY:2012 TC:2 AU: Long, Mingzhu;Tang, Bin;Zhang, Shuren;Yu, Shengquan;
7:7:48:1 Transformation from insulating p-type to semiconducting n-type conduction in CaCu3Ti4O12-related Na(Cu5/2Ti1/2)Ti4O12 ceramics
DOI:10.1063/1.4813875 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Li, Ming;Sinclair, Derek C.;
7:7:48:2 Influence of high levels of Nb and Ti doping on the dielectric properties of CaCu3Ti4O12 type of compounds
DOI:10.1016/j.matchemphys.2009.12.006 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2010 TC:5 AU: Rivas-Murias, B.;Sanchez-Andujar, M.;Rivas, J.;Senaris-Rodriguez, M. A.;
7:7:49:1 Electrical properties of low temperature sintered copper and titanium-codoped copper zinc ferrites
DOI:10.1016/j.jallcom.2010.04.134 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:8 AU: Hsiang, Hsing-I.;Mei, Li-Then;Hsi, Chi-Shiung;Liu, Yi-Lang;Yen, Fu-Su;
7:7:49:2 Effects of a non-magnetic CuZn ferrite layer on cofiring and electrical properties of a low-fire, multilayer NiCuZn ferrite inductor
DOI:10.1016/j.ceramint.2013.03.012 JN:CERAMICS INTERNATIONAL PY:2013 TC:1 AU: Tung, Yi-Ling;Jean, Jau-Ho;Cheng, Ya-Hwang;
7:7:50:1 IBLC effect leading to colossal dielectric constant in layered structured Eu2CuO4 ceramic
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7:7:50:2 Exceptionally High Dielectric Constant in Ceramic Pr2CuO4
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7:8:2:6 Structural and dielectric properties of Bi2Zn2/3Nb4/3O7 thin films prepared by pulsed laser deposition at low temperature for embedded capacitor applications
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7:8:2:15 Investigation of DC magnetron-sputtered TiO2 coatings: Effect of coating thickness, structure, and morphology on photocatalytic activity
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7:8:2:17 The effect of the top electrode interface on the hysteretic behavior of epitaxial ferroelectric Pb(Zr,Ti)O-3 thin films with bottom SrRuO3 electrode
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7:8:3:8 Energy band gap and dispersive optical parameters in Bi1.5Zn0.92Nb1.5O6.92 pyrochlore ceramics
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7:8:3:9 Effect of Ag on the sintering and dielectric properties behavior of Bi1.5ZnNb1.5O7 ceramics
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7:8:3:15 Synthesis and characterization of the pyrochlore Bi1.56Sb1.48-xNbxCo0.96O7 solid solution
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7:8:3:21 The Effect of MgO on the Structure and Dielectric Properties of alpha-BZN Ceramics
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7:8:4:2 Perfectly (001)- and (111)-Oriented (Ba,Sr)TiO3 Thin Films Sputtered on Pt/TiOx/SiO2/Si Without Buffer Layers
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7:8:4:3 Dielectric, ferroelectric and piezoelectric properties of 100-oriented Pb0.4Sr0.6TiO3 thin film sputtered on LaNiO3 electrode
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7:8:4:5 Effect of polarization switching cycles on the dielectric response and Rayleigh constant in Pb0.4Sr0.6TiO3 thin films
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7:8:4:6 Enhanced tunability performance of low temperature crystallized Pb0.4Sr0.6TiO3 thin films derived from distinct microstructure
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7:8:4:7 The effect of deposition power on the micro-structure and dielectric response of Pb0.4Sr0.6TiO3 thin films
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7:8:4:8 Low Temperature Deposition of High Performance Lead Strontium Titanate Thin Films by in situ RF Magnetron Sputtering
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7:8:4:9 Crystallographic orientation dependence of dielectric response in lead strontium titanate thin films
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7:8:4:10 Effect of LaNiO3 buffer layer on dielectric and tunable properties of Pb0.82La0.08Sr0.1Ti0.98O3 thin films on Pt/Ti/SiO2/Si substrates
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7:8:4:11 Polymer-Based Route to Ferroelectric Lead Strontium Titanate Thin Films
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7:8:5:1 Atomic displacements in the charge ice pyrochlore Bi2Ti2O6O ' studied by neutron total scattering
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7:8:5:2 Bi2Ti2O7: It Is Not What You Have Read
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7:8:5:4 Capturing dynamic cation hopping in cubic pyrochlores
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7:8:5:6 Energy landscape in frustrated systems: Cation hopping in pyrochlores
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7:8:5:7 New (Bi1.88Fe0.12)(Fe1.42Te0.58)O-6.87 Pyrochlore with Spin-Glass Transition
DOI:10.1021/cm200281z JN:CHEMISTRY OF MATERIALS PY:2011 TC:10 AU: Babu, Gunda Santosh;Valant, Matjaz;Page, Katharine;Llobet, Anna;Kolodiazhnyi, Taras;Axelsson, Anna-Karin;
7:8:5:8 Dielectric Properties and Relaxation of Bi2Ti2O7
DOI:10.1111/jace.12803 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:3 AU: Turner, Christopher G.;Esquivel-Elizondo, J. Roberto;Nino, Juan C.;
7:8:5:9 Pyrochlore Range from Bi2O3-Fe2O3-TeO3 System for LTCC and Photocatalysis and the Crystal Structure of New Bi-3(Fe0.56Te0.44)(3)O-11
DOI:10.1111/j.1551-2916.2011.04801.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:10 AU: Valant, Matjaz;Babu, Gunda Santosh;Vrcon, Mojca;Kolodiazhnyi, Taras;Axelsson, Anna-Karin;
7:8:5:10 Bismuth manganese titanate: Crystal structure and properties
DOI:10.1016/j.ssi.2012.02.051 JN:SOLID STATE IONICS PY:2012 TC:4 AU: Piir, I. V.;Sekushin, N. A.;Grass, V. E.;Ryabkov, Y. I.;Chezhina, N. V.;Nekipelov, S. V.;Sivkov, V. N.;Vyalikh, D. V.;
7:8:5:11 Chemistry, structure and properties of bismuth copper titanate pyrochlores
DOI:10.1016/j.ssi.2013.08.041 JN:SOLID STATE IONICS PY:2014 TC:0 AU: Piir, I. V.;Koroleva, M. S.;Ryabkov, Yu. I.;Pikalova, E. Yu.;Nekipelov, S. V.;Sivkov, V. N.;Vyalikh, D. V.;
7:8:5:12 Dielectric tunability analysis of pyrochlore Bi1.5Zn1.0Nb1.5O7 using epitaxial films on pyrochlore Bi2Ru2O7 conductive layers
DOI:10.1063/1.4861221 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Nakajima, Mitsumasa;Ikariyama, Rikyu;Krishnan, P. S. Sankara Rama;Yamada, Tomoaki;Funakubo, Hiroshi;
7:8:5:13 Phase Transition in Weberite-Type Gd3NbO7
DOI:10.1111/j.1551-2916.2009.03494.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:7 AU: Cai, Lu;Denev, Sava;Gopalan, Venkatraman;Nino, Juan C.;
7:8:5:14 Effects of Nonstoichiometry and Cocatalyst Loading on the Photocatalytic Hydrogen Production with (Y1.5Bi0.5)(1-x)Ti2O7-3x and (YBi)(1-x)Ti2O7-3x Pyrochlores
DOI:10.1111/jace.12013 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:2 AU: Merka, Oliver;Raisch, Olga;Steinbach, Frank;Bahnemann, Detlef W.;Wark, Michael;
7:8:5:15 A solution chemistry approach to epitaxial growth and stabilisation of Bi2Ti2O7 films
DOI:10.1039/c4ta04352a JN:JOURNAL OF MATERIALS CHEMISTRY A PY:2014 TC:0 AU: Oropeza, Freddy E.;Villar-Garcia, Ignacio J.;Palgrave, Robert G.;Payne, David J.;
7:8:6:1 Microwave properties of epitaxial (111)-oriented Ba0.6Sr0.4TiO3 thin films on Al2O3(0001) up to 40 GHz
DOI:10.1063/1.3478015 JN:APPLIED PHYSICS LETTERS PY:2010 TC:17 AU: Yang, Lihui;Ponchel, Freddy;Wang, Genshui;Remiens, Denis;Legier, Jean-Fancois;Chateigner, Daniel;Dong, Xianlin;
7:8:6:2 Tunable Dielectric Characteristics of (111)-Oriented Barium Strontium Titanate Thin Films Deposited on Platinized Si Substrates
DOI:10.1007/s13391-012-2078-y JN:ELECTRONIC MATERIALS LETTERS PY:2012 TC:4 AU: Saravanan, K. Venkata;Sudheendran, K.;Raju, K. C. James;
7:8:6:3 Controlled crystalline orientation of SrTiO3 thin films grown on Pt(111)/Ti/alpha-Al2O3(0001) substrates: Effect of growth temperature and Ti layer thickness
DOI:10.1016/j.apsusc.2014.04.186 JN:APPLIED SURFACE SCIENCE PY:2014 TC:0 AU: Panomsuwan, Gasidit;Takai, Osamu;Saito, Nagahiro;
7:8:6:4 Atomic-scale characterization of the SrTiO3 Sigma 3 (112) [(1)over-bar10] grain boundary
DOI:10.1103/PhysRevB.81.134109 JN:PHYSICAL REVIEW B PY:2010 TC:10 AU: Dudeck, K. J.;Benedek, N. A.;Finnis, M. W.;Cockayne, D. J. H.;
7:8:6:5 Epitaxial growth of (111)-oriented BaTiO3/SrTiO3 perovskite superlattices on Pt(111)/Ti/Al2O3(0001) substrates
DOI:10.1063/1.4820780 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Panomsuwan, Gasidit;Takai, Osamu;Saito, Nagahiro;
7:8:6:6 Effects of Ultrathin TiOx Seeding Layer on Crystalline Orientation and Electrical Properties of Sputtered (Ba,Sr)TiO3 Thin Films
DOI:10.1111/j.1551-2916.2010.03677.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:7 AU: Yang, Lihui;Wang, Genshui;Dong, Xianlin;Remiens, Denis;
7:8:6:7 Enhanced tunable dielectric properties of Ba0.5Sr0.5TiO3/Bi1.5Zn1.0Nb1.5O7 multilayer thin films by a sol-gel process
DOI:10.1016/j.tsf.2011.04.118 JN:THIN SOLID FILMS PY:2011 TC:11 AU: Yan, Xin;Ren, Wei;Shi, Peng;Wu, Xiaoqing;Yao, Xi;
7:8:6:8 The Effect of Ba/Sr Ratio on Electrical and Optical Properties of BaxSr(1-x)TiO3 (x=0.25; 0.35; 0.45; 0.55) Thin Film Semiconductor
DOI:10.1080/00150193.2012.742351 JN:FERROELECTRICS PY:2013 TC:0 AU: Irzaman;Syafutra, Heriyanto;Rancasa, Endang;Nuayi, Abdul Wahidin;Rahman, Tb Gamma Nur;Nuzulia, Nur Aisyah;Supu, Idawati;Sugianto;Tumimomor, Farly;Surianty;Muzikarno, Otto;Masrur;
7:8:6:9 Enhanced memory window of Au/BaTiO3/SrTiO3/Si(001) MFIS structure with high c-axis orientation for non-volatile memory applications
DOI:10.1007/s00339-012-7011-6 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2012 TC:6 AU: Panomsuwan, Gasidit;Takai, Osamu;Saito, Nagahiro;
7:8:6:10 Unusual Curie Point Independence of Thickness and Interfacial Properties for Perfectly (111)-Oriented Ba0.6Sr0.4TiO3 Thin Films
DOI:10.1111/j.1551-2916.2010.03877.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:1 AU: Yang, Lihui;Wang, Genshui;Dong, Xianlin;Remiens, Denis;
7:8:6:11 Microwave characterization of tunable interdigitated capacitances on BaTiSnO3 thin films deposited by sol-gel
DOI:10.1063/1.4895766 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Waldhoff, Nicolas;Fasquelle, Didier;Blary, Karine;
7:8:6:12 Tunable Interdigitated Capacitances on Ba0.3Sr0.7TiO3 Thin-Film
DOI:10.1080/10584587.2013.780151 JN:INTEGRATED FERROELECTRICS PY:2013 TC:0 AU: Ghalem, Areski;Ponchel, Freddy;Remiens, Denis;Legier, Jean-Francois;Lasri, Tuami;
7:8:6:13 Growth of Highly (100)-Oriented SrTiO3 Thin Films on Si(111) Substrates Without Buffer Layer
DOI:10.1111/jace.12912 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:1 AU: Panomsuwan, Gasidit;Takai, Osamu;Saito, Nagahiro;
7:8:6:14 MOCVD growth of barium-strontium titanate films using newly developed barium and strontium precursors
DOI:10.1016/j.tsf.2009.12.053 JN:THIN SOLID FILMS PY:2010 TC:1 AU: Shuster, G.;Kreinin, O.;Lakin, E.;Kuzmina, N. P.;Zolotoyabko, E.;
7:8:7:1 Dielectric microwave characterizations of (Ba,Sr)TiO3 film deposited on high resistivity silicon substrate: Analysis by two-dimensional tangential finite element method
DOI:10.1063/1.3309423 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:11 AU: Ponchel, F.;Midy, J.;Legier, J. F.;Soyer, C.;Remiens, D.;Lasri, T.;Gueguan, G.;
7:8:7:2 A fully distributed non linear waveguide using (Pb,Sr)TiO3 thin film: Second and third harmonics generation
DOI:10.1063/1.4831660 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Ponchel, F.;Burgnies, L.;Ducatteau, D.;Lheurette, E.;Remiens, D.;Lippens, D.;
7:8:7:3 Rigorous extraction tunability of Si-integrated Ba0.3Sr0.7TiO3 thin film up to 60 GHz
DOI:10.1063/1.3454772 JN:APPLIED PHYSICS LETTERS PY:2010 TC:7 AU: Ponchel, Freddy;Legier, Jean-Fancois;Soyer, Caroline;Remiens, Denis;Midy, Jean;Lasri, Tuami;Gueguan, Guillaume;
7:8:7:4 X-ray combined analysis of fiber-textured and epitaxial Ba(Sr,Ti)O-3 thin films deposited by radio frequency sputtering
DOI:10.1063/1.3592282 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Remiens, D.;Yang, L.;Ponchel, F.;Legier, J. F.;Chateigner, D.;Wang, G.;Dong, X.;
7:8:7:5 Microwave evaluation of Pb0.4Sr0.6TiO3 thin films prepared by magnetron sputtering on silicon: Performance comparison with Ba0.3Sr0.7TiO3 thin films
DOI:10.1063/1.3656065 JN:APPLIED PHYSICS LETTERS PY:2011 TC:7 AU: Ponchel, F.;Lei, X.;Remiens, D.;Wang, G.;Dong, X.;
7:8:7:6 Dielectric dispersion of BaSrTiO3 thin film from centimeter to submillimeter wavelengths
DOI:10.1063/1.3531534 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:8 AU: Houzet, Gregory;Blary, Karine;Lepilliet, Sylvie;Lippens, Didier;Burgnies, Ludovic;Velu, Gabriel;Carru, Jean-Claude;Nguema, Edwin;Mounaix, Patrick;
7:8:7:7 Dielectric relaxation analysis of Pb(Zr-0.54,Ti-0.46)O-3 thin films: Electric field dependence
DOI:10.1063/1.4904514 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Ponchel, F.;Sama, N.;Remiens, D.;Lasri, T.;
7:8:7:8 Oxygen effects on barium strontium titanate morphology and MOS device performance
DOI:10.1016/j.matlet.2012.11.003 JN:MATERIALS LETTERS PY:2013 TC:3 AU: Abdel-Motaleb, Ibrahim;Akula, Bhavya;Leedy, Kevin;Cortez, Rebecca;
7:8:7:9 Ionic Polarization Occurrence in BaSrTiO3 Thin Film by THz-Time Domain Spectroscopy
DOI:10.1080/00150193.2012.677682 JN:FERROELECTRICS PY:2012 TC:2 AU: Houzet, G.;Blary, K.;Lepilliet, S.;Lippens, D.;Burgnies, L.;Velu, G.;Carru, J. C.;Nguema, E.;Mounaix, P.;
7:8:7:10 Structural and multiferroic properties of Fe-doped Ba0.5Sr0.5TiO3 solids
DOI:10.1016/j.jmmm.2012.08.023 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:1 AU: Guo, Zhengang;Pan, Liqing;Bi, Chong;Qiu, Hongmei;Zhao, Xuedan;Yang, Lihong;Rafique, M. Yasir;
7:8:7:11 Electrical, Dielectric and Magnetic Properties of CoFe2O4-BaTiO3 Composite Films with Core-Shell Structure
DOI:10.1080/00150193.2010.484668 JN:FERROELECTRICS PY:2010 TC:6 AU: Zhang, Ling;Zhai, Jiwei;Mo, Weifeng;Yao, Xi;
7:8:7:12 Influence of Annealing Temperature on Magnetoelectric Properties of CoFe2O4/Pt/Pb(Z(r0.3)T(i0.7)) O-3 Thin Films
DOI:10.1080/00150193.2014.894370 JN:FERROELECTRICS PY:2014 TC:0 AU: Eum, Y. J.;Hwang, S. -O.;Ryu, J.;Kim, J. -W.;Koo, C. Y.;Lee, J. -Y.;Lee, H. Y.;
7:8:8:1 Magnonic crystals-based tunable microwave phase shifters
DOI:10.1063/1.4890476 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Zhu, Y.;Chi, K. H.;Tsai, C. S.;
7:8:8:2 Electrically and magnetically tunable phase shifters based on a barium strontium titanate-yttrium iron garnet layered structure
DOI:10.1063/1.3486463 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:10 AU: Leach, J. H.;Liu, H.;Avrutin, V.;Rowe, E.;Oezguer, Ue;Morkoc, H.;Song, Y.-Y.;Wu, M.;
7:8:8:3 High-frequency susceptibility of a weak ferromagnet with magnetostrictive magnetoelectric coupling: Using heterostructures to tailor electromagnon frequencies
DOI:10.1103/PhysRevB.81.094405 JN:PHYSICAL REVIEW B PY:2010 TC:10 AU: Livesey, K. L.;Stamps, R. L.;
7:8:8:4 Nonlinear multiferroic phase shifters for microwave frequencies
DOI:10.1063/1.4864315 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Ustinov, Alexey B.;Kalinikos, Boris A.;Srinivasan, G.;
7:8:8:5 Magnetically tunable double-negative material composed of ferrite-dielectric and metallic mesh
DOI:10.1063/1.3359718 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:18 AU: He, Guanghua;Wu, Rui-xin;Poo, Yin;Chen, Ping;
7:8:8:6 Self-generation and management of spin-electromagnetic wave solitons and chaos
DOI:10.1063/1.4881889 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Ustinov, Alexey B.;Kondrashov, Alexandr V.;Nikitin, Andrey A.;Kalinikos, Boris A.;
7:8:8:7 All-thin-film multilayered multiferroic structures with a slot-line for spin-electromagnetic wave devices
DOI:10.1063/1.4867985 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Nikitin, Andrey A.;Ustinov, Alexey B.;Semenov, Alexander A.;Kalinikos, Boris A.;Lahderanta, E.;
7:8:8:8 Hybridization of electromagnetic, spin and acoustic waves in magnetic having conical spiral ferromagnetic order
DOI:10.1016/j.jmmm.2012.10.021 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:7 AU: Bychkov, Igor V.;Kuzmin, Dmitry A.;Shavrov, Vladimir G.;
7:8:8:9 Excitation spectrum of multiferroics at finite temperatures
DOI:10.1103/PhysRevB.83.134409 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Michael, Thomas;Trimper, Steffen;
7:8:8:10 Sub-THz dielectric resonance in single crystal yttrium iron garnet and magnetic field tuning of the modes
DOI:10.1063/1.3607873 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:9 AU: Popov, M. A.;Zavislyak, I. V.;Srinivasan, G.;
7:8:8:11 Iron based microstrip phase shifter; optimization of phase shift
DOI:10.1063/1.3672843 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Kuanr, Bijoy K.;Fal, T. J.;Celinski, Z.;Camley, R. E.;
7:8:8:12 Soliton generation in active nonlinear metamaterials
DOI:10.1063/1.4866856 JN:APPLIED PHYSICS LETTERS PY:2014 TC:5 AU: Kozyrev, Alexander B.;Shadrivov, Ilya V.;Kivshar, Yuri S.;
7:8:8:13 A magnetically- and electrically-tunable microwave phase shifter using yttrium iron garnet/gadolinium gallium garnet thin film
DOI:10.1063/1.3671779 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Zhu, Yun;Qiu, Gang;Tsai, Chen S.;
7:8:9:1 Strain-assisted control of high stable dielectric tunability in (100) oriented (Pb,Sr)TiO3 thin films
DOI:10.1016/j.jallcom.2013.04.101 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:5 AU: Zheng, Zan;Hu, Tao;Yao, Yiying;Weng, Wenjian;Han, Gaorong;Ma, Ning;Du, Piyi;
7:8:9:2 Control of tensile stress on inducing formation and tunability of (100) oriented PbxSr1-xTiO3 thin films
DOI:10.1007/s00339-014-8490-4 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2014 TC:0 AU: Hu, Tao;Fu, Hao;Zheng, Zan;Ma, Ning;Du, Piyi;
7:8:9:3 High dielectric tunability of (100) oriented PbxSr1-xTiO3 thin film coordinately controlled by dipole activation and phase anisotropy
DOI:10.1063/1.3671645 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:9 AU: Zheng, Zan;Yao, Yiying;Weng, Wenjian;Han, Gaorong;Ma, Ning;Du, Piyi;
7:8:9:4 Hybrid influences of defect dipole and intrinsic inducing field on orientation of PbTiO3 thin film deposited on Indium Tin Oxide/glass substrate
DOI:10.1016/j.tsf.2011.11.050 JN:THIN SOLID FILMS PY:2012 TC:4 AU: Zheng, Zan;Yao, Yiying;Weng, Wenjian;Han, Gaorong;Ma, Ning;Du, Piyi;
7:8:9:5 Multilayer Bi1.5Zn1.0Nb1.5O7/Ba0.6Sr0.4TiO3/Bi1.5Zn1.0Nb1.5O7 thin films for tunable microwave applications
DOI:10.1016/j.apsusc.2010.09.076 JN:APPLIED SURFACE SCIENCE PY:2011 TC:8 AU: Singh, Jitendra;Krupanidhi, S. B.;
7:8:9:6 Dipole azimuth dependent permittivity in randomly and (100) oriented (Pb,Sr) TiO3 thin films
DOI:10.1039/c1jm11085c JN:JOURNAL OF MATERIALS CHEMISTRY PY:2011 TC:8 AU: Zheng, Zan;Yao, Yiying;Weng, Wenjian;Han, Gaorong;Ma, Ning;Du, Piyi;
7:8:9:7 The effect of Tb doped PbTiO3 inducing layer on texture and tunable property of sol-gel derived Pb0.4Sr0.6TiO3 thin films grown on ITO/glass substrate
DOI:10.1016/j.jcrysgro.2010.11.096 JN:JOURNAL OF CRYSTAL GROWTH PY:2011 TC:6 AU: Li, X. T.;Wang, B.;Weng, W. J.;Han, G. R.;Song, C. L.;Ma, N.;Du, P. Y.;
7:8:9:8 Size effects in Fe3+-doped PbTiO3 nanocrystals-Formation and orientation of (Fe-Ti '-V-O(center dot center dot))(center dot) defect-dipoles
DOI:10.1016/j.jeurceramsoc.2009.04.034 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:11 AU: Erdem, Emre;Kiraz, Kamil;Somer, Mehmet;Eichel, Ruediger-A.;
7:8:9:9 High-temperature dielectric response in pulsed laser deposited Bi1.5Zn1.0Nb1.5O7 thin films
DOI:10.1063/1.3457335 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:8 AU: Singh, Jitendra;Kalghatgi, A. T.;Parui, Jayanta;Krupanidhi, S. B.;
7:8:9:10 Structure, morphology and optical properties of multilayered sol-gel BaTi0.85Zr0.15O3 thin films
DOI:10.1016/j.apsusc.2012.11.036 JN:APPLIED SURFACE SCIENCE PY:2013 TC:3 AU: Vasilescu, Catalina A.;Crisan, Maria;Ianculescu, Adelina C.;Raileanu, Malina;Gartner, Mariuca;Anastasescu, Mihai;Dragan, Nicolae;Crisan, Dorel;Gavrila, Raluca;Trusca, Roxana;
7:8:10:1 Large three-photon absorption in Ba0.5Sr0.5TiO3 films studied using Z-scan technique
DOI:10.1063/1.3447930 JN:APPLIED PHYSICS LETTERS PY:2010 TC:21 AU: Saravanan, K. Venkata;Raju, K. C. James;Krishna, M. Ghanashyam;Tewari, Surya P.;Rao, S. Venugopal;
7:8:10:2 Sterically demanding zinc(II) phthalocyanines: synthesis, optical, electrochemical, nonlinear optical, excited state dynamics studies
DOI:10.1039/c3tc31640h JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2014 TC:8 AU: Swain, Debasis;Singh, Radhakant;Singh, Varun Kumar;Krishna, Narra Vamsi;Giribabu, Lingamallu;Rao, Soma Venugopal;
7:8:10:3 Ultrafast excited state dynamics and dispersion studies of nonlinear optical properties in dinaphthoporphycenes
DOI:10.1063/1.3701274 JN:APPLIED PHYSICS LETTERS PY:2012 TC:15 AU: Swain, Debasis;Anusha, P. T.;Prashant, T. Shuvan;Tewari, Surya P.;Sarma, Tridib;Panda, Pradeepta K.;Rao, S. Venugopal;
7:8:10:4 Large femtosecond third-order optical nonlinearity of Bi3.15Nd0.85Ti3O12 ferroelectric thin films
DOI:10.1063/1.4900758 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Li, S.;Zhong, X. L.;Cheng, G. H.;Liu, X.;Wang, J. B.;Huang, J.;Song, H. J.;Tan, C. B.;Li, B.;Zhou, Y. C.;
7:8:10:5 Picosecond nonlinear optical studies of unsymmetrical alkyl and alkoxy phthalocyanines
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7:8:10:6 Thiazole based novel functional colorants: Synthesis, characterization and nonlinear optical studies using picosecond Z-scan technique
DOI:10.1016/j.optmat.2012.11.018 JN:OPTICAL MATERIALS PY:2013 TC:3 AU: Singh, Balvant Shyam;Lobo, Hyacintha Rennet;Podagatlapalli, G. Krishna;Rao, S. Venugopal;Shankarling, Ganapati Subray;
7:8:10:7 Tuning the Structural and Optical Properties of Bismuth Titanate by Different Nd Substitution Content
DOI:10.1080/10584587.2012.670058 JN:INTEGRATED FERROELECTRICS PY:2012 TC:4 AU: Zang, Yongyuan;Xie, Dan;Chen, Yu;Wu, Xiao;Li, Gang;Plant, David;
7:8:10:8 Enhanced femtosecond optical nonlinearity of Mn doped Ba0.6Sr0.4TiO3 films
DOI:10.1063/1.3527969 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Ning, Tingyin;Chen, Cong;Wang, Can;Zhou, Yueliang;Zhang, Dongxiang;Ming, Hai;Yang, Guozhen;
7:8:10:9 Effect of lanthanum doping on linear and nonlinear-optical properties of Bi3TiNbO9 thin films
DOI:10.1016/j.jallcom.2011.02.048 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:2 AU: Chen, Hengzhi;Yang, Bin;Zhang, Mingfu;Wang, Feiyan;Cheah, Kokwai;Cao, Wenwu;
7:8:10:10 Optical anisotropy in bismuth titanate: An experimental and theoretical study
DOI:10.1063/1.4870460 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Roy, Amritendu;Prasad, Rajendra;Auluck, Sushil;Garg, Ashish;
7:8:10:11 Reverse saturation absorption spectra and optical limiting properties of chlorinated tetrasubstituted phthalocyanines containing different metals
DOI:10.1016/j.optmat.2012.05.018 JN:OPTICAL MATERIALS PY:2012 TC:8 AU: Tuhl, Ahmad;Manaa, Hacene;Makhseed, Saad;Al-Awadi, Nouria;Mathew, Jacob;Ibrahim, Hamada Mohamed;Nyokong, Tebello;Behbehani, Haider;
7:8:10:12 Microwave characteristics of sol-gel based Ag-doped (Ba0.6Sr0.4)TiO3 thin films
DOI:10.1016/j.tsf.2014.06.047 JN:THIN SOLID FILMS PY:2014 TC:2 AU: Kim, Kyoung-Tae;Kim, Cheolbok;Senior, David E.;Kim, Dongsu;Yoon, Yong-Kyu;
7:8:10:13 Indium(III) and Gallium(III) phthalocyanines-based nanohybrid materials for optical limiting
DOI:10.1016/j.matchemphys.2012.09.005 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:3 AU: Gu, Huili;Li, Shuai;Wang, Jun;Blau, Werner J.;Chen, Yu;
7:8:10:14 Study on third-order nonlinear optical properties of 4-methylsulfanyl chalcone derivatives using picosecond pulses
DOI:10.1016/j.materresbull.2012.06.063 JN:MATERIALS RESEARCH BULLETIN PY:2012 TC:7 AU: D'silva, E. D.;Podagatlapalli, G. Krishna;Rao, S. Venugopal;Dharmaprakash, S. M.;
7:8:11:1 Fabrication of PbS nanoparticle coated amorphous carbon nanotubes: Structural, thermal and field emission properties
DOI:10.1016/j.materresbull.2011.06.006 JN:MATERIALS RESEARCH BULLETIN PY:2011 TC:16 AU: Jana, S.;Banerjee, D.;Jha, A.;Chattopadhyay, K. K.;
7:8:11:2 Magnetron sputtering derived (100) oriented Pb0.4Sr0.6(Ti0.97Mg0.03)O-2.97 thin film on inducing-layer/glass substrate with outstanding tunability
DOI:10.1016/j.apsusc.2013.10.002 JN:APPLIED SURFACE SCIENCE PY:2013 TC:2 AU: Fang, Junfei;Hu, Tao;Chen, Jingfeng;Han, Gaorong;Weng, Wenjian;Ma, Ning;Du, Piyi;
7:8:11:3 Electromagnetic and microwave absorbing properties of amorphous carbon nanotube-cadmium selenide quantum dot hybrids
DOI:10.1016/j.matchemphys.2012.12.006 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2013 TC:4 AU: Tan, Kim Han;Ahmad, Roslina;Johan, Mohd Rafie;
7:8:11:4 Synthesis and size dependent optical studies in CdSe quantum dots via inverse micelle technique
DOI:10.1016/j.matchemphys.2010.06.053 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2010 TC:19 AU: Hamizi, Nor Aliya;Johan, Mohd Rafie;
7:8:11:5 Enhanced Visible Light Absorption by 3C-SiC Nanoparticles Embedded in Si Solar Cells by Plasma-Enhanced Chemical Vapor Deposition
DOI:10.1155/2013/953790 JN:JOURNAL OF NANOMATERIALS PY:2013 TC:0 AU: Parida, Bhaskar;Choi, Jaeho;Lim, Gyoungho;Kim, Kiseok;Kim, Keunjoo;
7:8:11:6 Surface structure and optical property of amorphous carbon nanotubes hybridized with cadmium selenide quantum dots
DOI:10.1007/s11051-013-1920-y JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2013 TC:1 AU: Tan, Kim Han;Johan, Mohd Rafie;
7:8:11:7 Physico-chemical studies of amorphous carbon nanotubes synthesized at low temperature
DOI:10.1016/j.materresbull.2012.04.073 JN:MATERIALS RESEARCH BULLETIN PY:2012 TC:11 AU: Tan, Kim Han;Ahmad, Roslina;Leo, Bey Fen;Yew, Ming Chian;Ang, Bee Chin;Johan, Mohd Rafie;
7:8:11:8 One dimensional silicon nanostructures prepared by oxidized porous silicon under heat treatment
DOI:10.1016/j.apsusc.2014.08.108 JN:APPLIED SURFACE SCIENCE PY:2014 TC:1 AU: Vendamani, V. S.;Pathak, A. P.;Rao, S. V. S. Nageswara;
7:8:12:1 Bi1.5Mg1.0Nb1.5O7/Ba0.6Sr0.4TiO3 bilayer thin films prepared by pulsed laser deposition
DOI:10.1016/j.jallcom.2014.05.217 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:3 AU: Yu, Shihui;Li, Lingxia;Zhang, Ning;Dong, Helei;Xu, Dan;Zhang, Weifeng;
7:8:12:2 Dielectric and tunable properties of Zr doped BST ceramics prepared by spark plasma sintering
DOI:10.1016/j.jallcom.2012.04.010 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:7 AU: Wang, Xilin;Huang, Rongxia;Zhao, Yongjie;Zhao, Yuzhen;Zhou, Heping;Jia, Zhidong;
7:8:12:3 Structure and ferroelectric studies of (Ba0.85Ca0.15)(Ti0.9Zr0.1)O-3 piezoelectric ceramics
DOI:10.1016/j.materresbull.2013.05.108 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:8 AU: Ramana, Venkata E.;Mahajan, A.;Graca, M. P. F.;Mendiratta, S. K.;Monteiro, J. M.;Valente, M. A.;
7:8:12:4 Enhanced microwave dielectric tunability of Ba0.5Sr0.5TiO3 thin films grown with reduced strain on DyScO3 substrates by three-step technique
DOI:10.1063/1.4789008 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Liu, Hongrui;Avrutin, Vitaliy;Zhu, Congyong;Oezguer, Uemit;Yang, Juan;Lu, Changzhi;Morkoc, Hadis;
7:8:12:5 Dielectric properties of low-temperature sintered Ba0.6Sr0.4TiO3 thick films prepared by reactive sintering method
DOI:10.1016/j.jallcom.2011.06.121 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:6 AU: Zhang, Minghui;Wang, Hong;Yang, Haibo;Wu, Xinguang;Liu, Weihong;Yao, Xi;
7:8:12:6 The structural and electrical properties of Mn-doped Ba0.6Sr0.4TiO3 films prepared by metal organic deposition method
DOI:10.1016/j.jallcom.2013.04.154 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:4 AU: Wang, Xiaofei;Lv, Shijie;Zhang, Chao;Hu, Qiubo;Li, Liben;
7:8:12:7 BaxSr1-xTiO3 thin films prepared by OTS monomolecular film reverse induction and liquid phase self-assembly method
DOI:10.1016/j.jallcom.2012.11.049 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:1 AU: Zhao Gaoyang;Tan Guoqiang;Yin Jun;Han Weiguang;Xia Ao;Ren Huijun;
7:8:13:1 Raman spectroscopy evidence of inhomogeneous disorder in the bismuth-oxygen framework of Bi25InO39 and other sillenites
DOI:10.1103/PhysRevB.86.144116 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Arenas, D. J.;Jegorel, Theo;Knab, Chris;Gasparov, L. V.;Martin, C.;Pajerowski, Daniel M.;Kohno, Hideo;Lufaso, Michael W.;
7:8:13:2 Electron diffraction study of the sillenites Bi12SiO20, Bi25FeO39 and Bi25InO39: Evidence of short-range ordering of oxygen-vacancies in the trivalent sillenites
DOI:10.1063/1.4893341 JN:AIP ADVANCES PY:2014 TC:1 AU: Scurti, Craig A.;Auvray, Nicolas;Lufaso, Michael W.;Takeda, Seiji;Kohno, Hideo;Arenas, D. J.;
7:8:13:3 Structural, linear and enhanced third-order nonlinear optical properties of Bi12SiO20 nanocrystals
DOI:10.1016/j.matchemphys.2011.06.010 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:9 AU: Sekhar, H.;Kiran, P. Prem;Rao, D. Narayana;
7:8:13:4 High pressure stability of bismuth sillenite: A Raman spectroscopic and x-ray diffraction study
DOI:10.1063/1.3496659 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:6 AU: Rao, Rekha;Garg, Alka B.;Sakuntala, T.;
7:8:13:5 Optical recording mechanisms in undoped titanosillenite crystals
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7:8:13:6 Synthesis and characterization of strontium and barium bismuth borate glass-ceramics
DOI:10.1016/j.jnoncrysol.2014.01.037 JN:JOURNAL OF NON-CRYSTALLINE SOLIDS PY:2014 TC:1 AU: Rejisha, S. R.;Anjana, P. S.;Gopakumar, N.;Santha, N.;
7:8:13:7 Low temperature synthesis, structural, and magnetic characterization of manganese sillenite Bi12MnO20
DOI:10.1063/1.3362927 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: de Oliveira, L. A. S.;Sinnecker, J. P.;Vieira, M. D.;Penton-Madrigal, A.;
7:8:13:8 Optical recording mechanisms in undoped titanosillenite crystals (vol 109, 024901, 2011)
DOI:10.1063/1.3587177 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:0 AU: Jerez, Vladimir;de Oliveira, Ivan;Frejlich, Jaime;
7:8:14:1 Investigation of initial epitaxial growth of (Ba, Sr)TiO3 thin film on (001) SrTiO3 substrate using first-principles calculations
DOI:10.1016/j.jallcom.2013.01.082 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:2 AU: Wei, L. J.;Guo, J. X.;Ge, D. Y.;Dai, X. H.;Guan, L.;Wang, Y. L.;Liu, B. T.;
7:8:14:2 Effect of bottom electrode on the microstructure and electrical properties of sputtered BaTiO3 films on MgO substrates
DOI:10.1016/j.jallcom.2013.06.093 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:2 AU: Zhang, Wei;Kang, Limin;Yuan, Meiling;Yang, Qian;Ouyang, Jun;
7:8:14:3 Enhanced dielectric constant and fatigue-resistance of PbZr0.4Ti0.6O3 capacitor with magnetic intermetallic FePt top electrode
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7:8:14:4 Impedance spectroscopic and dielectric analysis of Ba0.7Sr0.3TiO3 thin films
DOI:10.1016/j.jallcom.2012.02.137 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:12 AU: Rouahi, A.;Kahouli, A.;Sylvestre, A.;Defay, E.;Yangui, B.;
7:8:14:5 In situ preparation of high dielectric constant, low-loss ferroelectric BaTiO3 films on Si at 500 degrees C
DOI:10.1016/j.apsusc.2013.01.023 JN:APPLIED SURFACE SCIENCE PY:2013 TC:3 AU: Yuan, Meiling;Zhang, Wei;Wang, Xianyang;Pan, Wei;Wang, Li;Ouyang, Jun;
7:8:14:6 Investigation of periodic Ni-Ti multilayers
DOI:10.1016/j.tsf.2013.06.001 JN:THIN SOLID FILMS PY:2013 TC:0 AU: Veres, T.;Cser, L.;Bodnarchuck, V.;Ignatovich, V.;Horvath, Z. E.;Nagy, B.;
7:8:14:7 Modelling and simulation of reaction mechanisms in early growth of STO thin films from ab initio calculations
DOI:10.1016/j.commatsci.2010.06.034 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2010 TC:1 AU: Yang, Chun;Yi, Yu;Li, Yan Rong;
7:8:15:1 Improved Dielectric Properties of Bi1.5Zn1.0Nb1.5O7/(111)-Oriented Ba0.6Sr0.4TiO3 Bilayered Films for Tunable Microwave Applications
DOI:10.1111/j.1551-2916.2009.03516.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:11 AU: Yang, Lihui;Wang, Genshui;Dong, Xianlin;Remiens, Denis;
7:8:15:2 Enhanced tunability of Bi3/2MNb3/2O7 (M=Zn, Mg, Ni) thin films
DOI:10.1016/j.matlet.2012.07.087 JN:MATERIALS LETTERS PY:2012 TC:4 AU: Ning, Pingfan;Li, Lingxia;Zhang, Xiaoyu;Wang, Mingjing;Xia, Wangsuo;
7:8:15:3 Coupled microstrip line microwave phase shifter using ferroelectric thin film varactors
DOI:10.1063/1.3686615 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:10 AU: Sheng, Su;Ong, C. K.;
7:8:15:4 Study of dielectric loss mechanisms in Bi1.5MgNb1.5O7 thin film varactors
DOI:10.1063/1.4812586 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Gao, Libin;Jiang, Shuwen;Xiao, Yong;Li, Ruguan;Li, Yanrong;
7:8:15:5 Microwave Properties of Bi1.5Zn1.0Nb1.5O7/Ba0.6Sr0.4TiO3 Hetero Layered Films Directly Sputtered on Si up to 50 GHz
DOI:10.1111/j.1551-2916.2011.04610.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:8 AU: Yang, Lihui;Wang, Genshui;Dong, Xianlin;Ponchel, Freddy;Remiens, Denis;
7:8:15:6 Suppression of slow capacitance relaxation phenomenon in Pt/Ba0.3Sr0.7TiO3/Pt thin film ferroelectric structures by annealing in oxygen atmosphere
DOI:10.1063/1.4863436 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Altynnikov, A. G.;Gagarin, A. G.;Gaidukov, M. M.;Tumarkin, A. V.;Petrov, P. K.;Alford, N.;Kozyrev, A. B.;
7:8:16:1 Large dielectric tuning and microwave phase shift at low electric field in epitaxial Ba0.5Sr0.5TiO3 on SrTiO3
DOI:10.1063/1.3359707 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:15 AU: Leach, J. H.;Liu, H.;Avrutin, V.;Xiao, B.;Ozgur, U.;Morkoc, H.;Das, J.;Song, Y. Y.;Patton, C. E.;
7:8:16:2 The structure and dielectric properties of a novel kind of doped Ba0.6Sr0.4TiO3 film
DOI:10.1016/j.matchemphys.2012.06.009 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:13 AU: Liao, Jiaxuan;Wei, Xubo;Xu, Ziqiang;Wei, Xiongbang;Wang, Peng;
7:8:16:3 Preparation and Dielectric Properties of Cerium and Manganese Codoped Ba0.6Sr0.4TiO3 Ferroelectric Films
DOI:10.1080/10584587.2013.787521 JN:INTEGRATED FERROELECTRICS PY:2013 TC:2 AU: Liao, Jiaxuan;Wang, Peng;Wei, Xubo;Xu, Ziqiang;Wei, Xiongbang;Yang, Bangchao;
7:8:16:4 A Novelly Designed Ba0.6Sr0.4TiO3 Film with High Tunability and Low Dielectric Loss
DOI:10.1080/10584587.2014.901868 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Liao, Jiaxuan;Huang, Jiaqi;Wei, Xubo;Xu, Ziqiang;Wang, Peng;
7:8:16:5 Improved Mechanisms for Excellent Tunable Microwave Ce and Mn Codoped Ba0.6Sr0.4TiO3 Thin Films
DOI:10.1080/10584587.2014.901875 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Liao, Jiaxuan;Wang, Sizhe;Wei, Xubo;Xu, Ziqiang;Wang, Peng;
7:8:16:6 Influence of Film Thickness on Dielectric Properties of Y and Mn Alternately Doped BST Films
DOI:10.1080/10584587.2014.901873 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Zhang, Weifang;Liao, Jiaxuan;Huang, Jiaqi;
7:8:16:7 Enhanced ferroelectric properties of Mg doped (Ba,Sr)TiO3 thick films grown on (001) SrTiO3 substrates
DOI:10.1016/j.tsf.2011.12.019 JN:THIN SOLID FILMS PY:2012 TC:3 AU: Liu, Hong;Zhu, Jianguo;Chen, Qiang;Yu, Ping;Xiao, Dingquan;
7:8:17:1 Highly tunable microwave stub resonator on ferroelectric KTa0.5Nb0.5O3 thin film
DOI:10.1063/1.3626040 JN:APPLIED PHYSICS LETTERS PY:2011 TC:12 AU: Simon, Q.;Corredores, Y.;Castel, X.;Benzerga, R.;Sauleau, R.;Mahdjoubi, K.;Le Febvrier, A.;Deputier, S.;Guilloux-Viry, M.;Zhang, L.;Laurent, P.;Tanne, G.;
7:8:17:2 Development of a microwave capacitive method for the spectroscopy of the complex permittivity
DOI:10.1063/1.4902317 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Jegou, C.;Agnus, G.;Maroutian, T.;Pillard, V.;Devolder, T.;Crozat, P.;Lecoeur, P.;Aubert, P.;
7:8:17:3 Temperature dependence of the conduction mechanisms through a Pb(Zr,Ti)O-3 thin film
DOI:10.1016/j.tsf.2013.12.043 JN:THIN SOLID FILMS PY:2014 TC:1 AU: Jegou, C.;Michalas, L.;Maroutian, T.;Agnus, G.;Koutsoureli, M.;Papaioannou, G.;Largeau, L.;Troadec, D.;Leuliet, A.;Aubert, P.;Lecoeur, Ph.;
7:8:17:4 Characterization in a Wide Frequency Range (40MHz-67GHz) of a KTa0.65Nb0.35O3 Thin Film for Tunable Applications
DOI:10.1080/10584587.2014.957091 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Houzet, Gregory;Lacrevaz, Thierry;Bermond, Cedric;Flechet, Bernard;Le Febvrier, Arnaud;Deputier, Stephanie;Guilloux-Viry, Maryline;Queffelec, Patrick;
7:8:17:5 Intercomparison of permittivity measurement techniques for ferroelectric thin layers
DOI:10.1063/1.4858388 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:5 AU: Queffelec, P.;Laur, V.;Chevalier, A.;Le Floch, J. -M.;Passerieux, D.;Cros, D.;Madrangeas, V.;Le Febvrier, A.;Deputier, S.;Guilloux-Viry, M.;Houzet, G.;Lacrevaz, T.;Bermond, C.;Flechet, B.;
7:8:17:6 Study of ferroelectric/dielectric multilayers for tunable stub resonator applications at microwaves
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7:8:18:1 Dielectric properties of La/Mn codoped Ba0.63Sr0.37TiO3 thin films prepared by RF magnetron sputtering
DOI:10.1016/j.ceramint.2014.04.039 JN:CERAMICS INTERNATIONAL PY:2014 TC:3 AU: Song, Lirong;Chen, Ying;Wang, Genshui;Yang, Lihui;Li, Tao;Gao, Feng;Dong, Xianlin;
7:8:18:2 Electrically Programmable Bistable Capacitor for High-Frequency Applications Based on Charge Storage at the (Ba,Sr)TiO3/Al2O3 Interface
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7:8:18:3 Microstructure and electrical properties of Mn-doped barium strontium titanate thin films prepared on copper foils
DOI:10.1016/j.apsusc.2010.04.042 JN:APPLIED SURFACE SCIENCE PY:2010 TC:16 AU: Fan, Yanhua;Yu, Shuhui;Sun, Rong;Li, Lei;Yin, Yansheng;Wong, Ka-Wai;Du, Ruxu;
7:8:18:4 Fabrication and Dielectric Properties of Ba0.63Sr0.37TiO3 Thin Films on SiC Substrates
DOI:10.1111/jace.13218 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:0 AU: Song, Lirong;Chen, Ying;Wang, Genshui;Yang, Lihui;Ge, Jun;Dong, Xianlin;Xiang, Pinghua;Zhang, Yuanyuan;Tang, Xiaodong;
7:8:18:5 Preparation and characterization of La-doped Ba(1-x)SrxTiO3 powders and thin films
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7:8:18:6 Characterization of Manganese Ions in Mn-substituted Ba0.67Sr0.33MnxTi1-xO3 Thin Films
DOI:10.1080/00150193.2013.842859 JN:FERROELECTRICS PY:2013 TC:0 AU: Chen, Xiaoyang;Yang, Chunli;Fan, Minglei;Xu, Zunping;Zhu, Jianguo;Yu, Ping;
7:8:19:1 Electrical Properties of Lead-free Niobium Rich Piezoelectric (K0.95Li0.05) (Ta1-xNbx) O-3 Single Crystals
DOI:10.1080/10584587.2011.637010 JN:INTEGRATED FERROELECTRICS PY:2011 TC:9 AU: Li, Jun;Li, Yang;Zhou, Zhongxiang;Guo, Ruyan;Bhalla, Amar;
7:8:19:2 Frequency Dependent Electro-Optic Properties of Potassium Lithium Tantalate Niobate Single Crystal
DOI:10.1080/00150193.2011.635547 JN:FERROELECTRICS PY:2011 TC:11 AU: Li, Yang;Li, Jun;Zhou, Zhongxiang;Guo, Ruyan;Bhalla, Amar;
7:8:19:3 Thermal expansion behavior and polarization properties of lead-free ferroelectric potassium lithium tantalate niobate single crystals
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7:8:19:4 Pyroelectric properties of lead-free ferroelectric niobium-rich potassium lithium tantalate niobate single crystals
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7:8:19:5 Structure and dielectric properties of niobium-rich potassium lithium tantalate niobate single crystals
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7:8:19:6 Orientation dependent electro-optic properties of K0.95Li0.05Ta0.41Nb0.59O3 single crystal: Experiment and simulation
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7:8:19:7 Thermal expansion behavior and estimated total polarizations of lead zirconate titanate-lead nickel niobate ceramics
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7:8:19:8 Piezoelectric and ferroelectric properties of lead-free niobium-rich potassium lithium tantalate niobate single crystals
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7:8:19:9 Estimation of Total Polarization and Thermal Expansion Behavior in PZT-PCN Ceramics
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7:8:19:10 Linear electrooptic coefficient r(51) of tetragonal potassium lithium tantalate niobate K0.95Li0.05Ta0.40Nb0.60O3 single crystal
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7:8:20:1 Solution of the Bethe-Salpeter equation without empty electronic states: Application to the absorption spectra of bulk systems
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7:8:20:2 First-principles study of excitonic effects in Raman intensities
DOI:10.1103/PhysRevB.88.094305 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Gillet, Yannick;Giantomassi, Matteo;Gonze, Xavier;
7:8:20:3 Ferroelectric and nonlinear optical properties of the LiNbO3-type ZnGeO3 from first-principles study
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7:8:20:4 Speeding up the solution of the Bethe-Salpeter equation by a double-grid method and Wannier interpolation
DOI:10.1103/PhysRevB.86.125203 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Kammerlander, David;Botti, Silvana;Marques, Miguel A. L.;Marini, Andrea;Attaccalite, Claudio;
7:8:20:5 First-principles characterization of the electronic and optical properties of hexagonal LiIO3
DOI:10.1016/j.optmat.2014.04.009 JN:OPTICAL MATERIALS PY:2014 TC:0 AU: Van Troeye, B.;Gillet, Y.;Ponce, S.;Gonze, X.;
7:8:20:6 Ab initio calculations of absorption spectra of semiconducting nanowires within many-body perturbation theory
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7:8:21:1 Effects of vanadium substitution on the electrical performance of amorphous SrBi2Ta2O9 thin-film capacitors
DOI:10.1016/j.scriptamat.2014.01.015 JN:SCRIPTA MATERIALIA PY:2014 TC:0 AU: Kang, Min-Gyu;Cho, Kwang-Hwan;Nahm, Sahn;Yoon, Seok-Jin;Kang, Chong-Yun;
7:8:21:2 Room-temperature pulsed laser deposition and dielectric properties of amorphous Bi3.95Er0.05Ti3O12 thin films on conductive substrates
DOI:10.1007/s00339-012-7326-3 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:1 AU: Mo, Zhong;Miao, Xinrui;Liang, Lirong;Deng, Wenli;Li, Baojun;Bao, Dinghua;
7:8:21:3 Room-temperature preparation and dielectric properties of amorphous Bi3.95Er0.05Ti3O12 thin films on flexible polyimide substrates via pulsed laser deposition method
DOI:10.1016/j.apsusc.2012.01.140 JN:APPLIED SURFACE SCIENCE PY:2012 TC:2 AU: Mo, Zhong;Wu, Guangheng;Bao, Dinghua;
7:8:21:4 Effect of bottom electrodes on dielectric properties of high frequency Ba0.5Sr0.5TiO3 parallel plate varactor
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7:8:21:5 Structural and electrical properties of Bi2O3-Nb2O5 thin films grown at low temperatures by pulsed laser deposition
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7:8:22:1 Quasi-rapid thermal annealing studies on barium strontium titanate thin films deposited on fused silica substrates
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7:8:22:2 Defect enhanced optic and electro-optic properties of lead zirconate titanate thin films
DOI:10.1063/1.3664137 JN:AIP ADVANCES PY:2011 TC:1 AU: Zhu, M. M.;Du, Z. H.;Ma, J.;
7:8:22:3 Improved electrical properties after post annealing of Ba0.7Sr0.3TiO3 thin films for MIM capacitor applications
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7:8:22:4 Thickness dependence of strain and in-plane dielectric properties of highly (001) oriented (Ba,Sr)TiO3 thin films
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7:8:22:5 Effects of oxygen plasma treatment on the dielectric properties of Ba0.7Sr0.3TiO3 thin films
DOI:10.1016/j.apsusc.2010.10.121 JN:APPLIED SURFACE SCIENCE PY:2011 TC:2 AU: Tan, Lefan;Xiong, Niandeng;
7:8:22:6 Preparation and Growth of Predominantly (100)-Oriented Ca0.4Sr0.6Bi4Ti4O15 Thin Film by Rapid Thermal Annealing
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7:8:23:1 Microwave tunable dielectric properties of multilayer CNT membranes for smart applications
DOI:10.1007/s00339-012-6979-2 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2012 TC:2 AU: Liu, L.;Yang, Z. H.;Kong, L. B.;Yin, W. Y.;Wang, S.;
7:8:23:2 Tunable dual-band ferrite-based metamaterials with dual negative refractions
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7:8:23:3 Ferrite based metamaterials with thermo-tunable negative refractive index
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7:8:23:4 Effective electromagnetic properties of honeycomb substrate coated with dielectric or magnetic layer
DOI:10.1007/s00339-014-8458-4 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2014 TC:0 AU: Liu, L.;Fan, C. Z.;Zhu, N. B.;Zhao, Z. Y.;Liu, R. P.;
7:8:23:5 Magnetic surface plasmon-induced tunable photonic bandgaps in two-dimensional magnetic photonic crystals
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7:8:23:6 Tunable properties of microwire composites at microwave frequency
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7:8:24:1 Electric field-tunable BaxSr1-xTiO3 films with high figures of merit grown by molecular beam epitaxy
DOI:10.1063/1.4773034 JN:APPLIED PHYSICS LETTERS PY:2012 TC:5 AU: Mikheev, Evgeny;Kajdos, Adam P.;Hauser, Adam J.;Stemmer, Susanne;
7:8:24:2 Highly conducting SrMoO3 thin films for microwave applications
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7:8:24:3 Epitaxially Stabilized EuMoO3: A New Itinerant Ferromagnet
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7:8:24:4 Single-crystalline Sr2MoO4 films as prepared by pulsed laser deposition
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7:8:24:5 Charge-spin-coupled electrical transport properties in EuMoO3/SrTiO3 superlattices
DOI:10.1103/PhysRevB.87.205402 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Fujita, T. C.;Kozuka, Y.;Seki, H.;Kawasaki, M.;
7:8:25:1 Highly textured laser annealed Pb(Zr0.52Ti0.48)O-3 thin films
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7:8:25:2 Large in-plane permittivity of Ba0.6Sr0.4TiO3 thin films crystallized using excimer laser annealing at 300 degrees C
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7:8:25:3 Effect of Pt bottom electrode texture selection on the tetragonality and physical properties of Ba0.8Sr0.2TiO3 thin films produced by pulsed laser deposition
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7:8:25:4 Influence of laser repetition rate on ferroelectric properties of pulsed laser deposited BaTiO3 films on platinized silicon substrate
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7:8:25:5 Ba0.8Sr0.2TiO3 films crystallized on glass and platinized substrates by laser-assisted annealing at room temperature
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7:8:25:6 Effects of oxygen partial pressure on the ferroelectric properties of pulsed laser deposited Ba0.8Sr0.2TiO3 thin films
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7:8:25:7 In situ laser annealing during growth of Pb(Zr0.52Ti0.48)O-3 thin films
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7:8:26:1 Enhanced leakage current performance and conduction mechanisms of Bi1.5Zn1.0Nb1.5O7/Ba0.5Sr0.5TiO3 bilayered thin films
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7:8:26:2 Effect of thickness on the dielectric properties of bismuth magnesium niobium thin films deposited by rf magnetron sputtering
DOI:10.1016/j.ceramint.2014.04.042 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Li, Lingxia;Xu, Dan;Yu, Shihui;Dong, Helei;Jin, Yuxin;
7:8:26:3 Influence of Post Deposition Annealing Process on the Optical and Microwave Dielectric Properties of Bi1.5Zn1.0Nb1.5O7 Thin Films
DOI:10.1080/10584587.2010.490703 JN:INTEGRATED FERROELECTRICS PY:2010 TC:4 AU: Sudheendran, K.;Raju, K. C. James;
7:8:26:4 Characterization of lutetium oxide-based thin-film capacitors by impedance spectroscopy
DOI:10.1016/j.jnoncrysol.2009.09.041 JN:JOURNAL OF NON-CRYSTALLINE SOLIDS PY:2010 TC:2 AU: Wiktorczyk, Tadeusz;
7:8:26:5 Thickness-ratio-dependent dielectric properties of Bi1.5Zn1.0Nb1.5O7/Ba0.5Sr0.5TiO3 bilayered thin films
DOI:10.1016/j.mseb.2013.04.010 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2013 TC:2 AU: Li, Ruguan;Jiang, Shuwen;Gao, Libin;Li, Yanrong;
7:8:26:6 The effect of thickness and temperature on dielectric properties of lutetium oxide thin films grown by electron-beam deposition on quartz
DOI:10.1016/j.tsf.2012.08.035 JN:THIN SOLID FILMS PY:2012 TC:1 AU: Wiktorczyk, Tadeusz;
7:8:27:1 An observation of charge trapping phenomena in GaN/AlGaN/Gd2O3/Ni-Au structure
DOI:10.1063/1.3596382 JN:APPLIED PHYSICS LETTERS PY:2011 TC:5 AU: Chang, Liann Be;Das, Atanu;Lin, Ray Ming;Maikap, Siddheswar;Jeng, Ming Jer;Chou, Shu Tsun;
7:8:27:2 Investigation of temperature dependent threshold voltage variation of Gd2O3/AlGaN/GaN metal-oxide-semiconductor heterostructure
DOI:10.1063/1.4750481 JN:AIP ADVANCES PY:2012 TC:2 AU: Das, Atanu;Chang, Liann Be;Lin, Ray Ming;
7:8:27:3 Electron trap memory characteristics of LiNbO3 film/AlGaN/GaN heterostructure
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7:8:27:4 Physical and electrical characteristics of AlGaN/GaN metal-oxide-semiconductor high-electron-mobility transistors with rare earth Er2O3 as a gate dielectric
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7:8:28:1 Characteristics of highly (001) oriented (K,Na)NbO3 films grown on LaNiO3 bottom electrodes by RF magnetron sputtering
DOI:10.1016/j.ceramint.2012.07.074 JN:CERAMICS INTERNATIONAL PY:2013 TC:9 AU: Li, Tao;Wang, Genshui;Remiens, Denis;Dong, Xianlin;
7:8:28:2 Electrical properties of lead-free KNN films on SRO/STO by RF magnetron sputtering
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7:8:28:3 Influence of LNO Top Electrodes on Electrical Properties of KNN/LNO Thin Films Prepared by RF Magnetron Sputtering
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7:8:29:1 Low-Dielectric-Loss Barium Strontium Titanate Thin Films with MgO Buffer Layer for Tunable Microwave Devices
DOI:10.1007/s11664-013-2673-1 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2013 TC:5 AU: Bian, Yanlong;Wang, Hui;Zhai, Jiwei;
7:8:29:2 Low temperature dielectric characterization of Mg-doped SrTiO3 thin films prepared by sol-gel
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7:8:29:3 Dielectric response of polycrystalline Sr1-1.5xBixTiO3 thin films under direct current bias
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7:8:29:4 Magnetic Anomaly and Dielectric Tunability of (Sr,Mn)TiO3 Thin Films
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7:8:29:5 Comparison of Microwave Dielectric Properties of Ba0.6Sr0.4TiO3 Thin Films Grown on (100) LaAlO3 and (100) MgO Single-Crystal Substrates
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7:8:30:1 Dielectric tunability and electro-optic effect of Ba0.5Sr0.5TiO3 thin films
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7:8:30:2 Microstructure and dielectric properties of (Ba0.6Sr0.4)TiO3 thin films grown on super smooth glazed-Al2O3 ceramics substrate
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7:8:30:3 Improved Ferroelectric Phase Shifter by Inserting Spiral Inductors into Ground
DOI:10.1080/10584587.2011.621760 JN:INTEGRATED FERROELECTRICS PY:2011 TC:0 AU: Zhang, Jihua;Chen, Hongwei;Lei, Guanhuan;He, Wei;Liao, Yu;Zhang, Qiaozhen;Yang, Chuanren;
7:8:30:4 Enhanced leakage current properties of Ni-doped Ba0.6Sr0.4TiO3 thin films driven by modified band edge state
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7:8:31:1 Crystal structures, phase stability, and dielectric properties of (1-x) Bi3/2MgNb3/2O7-x Bi2Zn2/3Nb4/3O7 ceramics
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7:8:31:2 The tolerance factors of the pyrochlore crystal structure
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7:8:31:3 Mechanism of dielectric nonlinear characteristics in bismuth-based cubic pyrochlores
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7:8:31:4 Effect of excess Bi2O3 on structures and dielectric properties of Bi1.5Zn1.0Nb1.5O7 thin films deposited at room temperature by RF magnetron sputtering
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7:8:32:1 Synthesis, crystal growth and mechanical properties of Bismuth Silicon Oxide (BSO) single crystal
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7:8:32:2 Solubility and optical activity of Bi12SiO20 crystals
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7:8:32:3 Raman and optical spectroscopy characteristics of Se-doped Bi12SiO20 crystals
DOI:10.1016/j.optmat.2011.04.001 JN:OPTICAL MATERIALS PY:2011 TC:2 AU: Milenov, T. I.;Rafailov, P. M.;Thomsen, C.;Egorysheva, A.;Titorenkova, R.;Kostova, B.;Skorikov, V.;
7:8:32:4 Effect of SiO2 on Bi12SiO20 crystals grown by hydrothermal technology
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7:8:33:1 Relaxor-like Dielectric Behavior in Stoichiometric Sillenite Bi12SiO20
DOI:10.1021/cm3031363 JN:CHEMISTRY OF MATERIALS PY:2013 TC:2 AU: Hu, Yu;Sinclair, Derek C.;
7:8:33:2 Ba2Bi1.4Nb0.6O6: A Nonferroelectric, High Permittivity Oxide
DOI:10.1021/cm301013v JN:CHEMISTRY OF MATERIALS PY:2012 TC:2 AU: Tan, Chaou C.;Feteira, Antonio;Sinclair, Derek C.;
7:9:1:1 Chemistry and applications of oxynitride perovskites
DOI:10.1039/c2jm13182j JN:JOURNAL OF MATERIALS CHEMISTRY PY:2012 TC:37 AU: Fuertes, Amparo;
7:9:1:2 Sinterability of the oxynitride LaTiO2N with perovskite-type structure
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7:9:1:3 Electronic Tuning of Two Metals and Colossal Magnetoresistances in EuWO1+xN2-x Perovskites
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7:9:1:4 First-Principles Study on Relaxor-Type Ferroelectric Behavior without Chemical Inhomogeneity in BaTaO2N and SrTaO2N
DOI:10.1021/cm302335q JN:CHEMISTRY OF MATERIALS PY:2012 TC:14 AU: Hinuma, Yoyo;Moriwake, Hiroki;Zhang, Ya-Ru;Motohash, Teruki;Kikkawa, Shinichi;Tanaka, Isao;
7:9:1:5 Sintering and dielectric properties of perovskite SrTaO2N ceramics
DOI:10.1016/j.jeurceramsoc.2011.12.001 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:20 AU: Zhang, Ya-Ru;Motohashi, Teruki;Masubuchi, Yuji;Kikkawa, Shinichi;
7:9:1:6 Electronic Structure of Tantalum Oxynitride Perovskite Photocatalysts
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7:9:1:7 Growth of (Sr,La)-(Ta,Ti)-O-N perovskite oxide and oxynitride films by radio frequency magnetron sputtering: Influence of the reactive atmosphere on the film structure
DOI:10.1016/j.jcrysgro.2014.12.001 JN:JOURNAL OF CRYSTAL GROWTH PY:2015 TC:0 AU: Le Paven, C.;Le Gendre, L.;Benzerga, R.;Chevire, F.;Tessier, F.;Jacq, S.;Traore-Mantion, S.;Sharaiha, A.;
7:9:1:8 Synthesis and crystal structure of K2NiF4-type novel Gd1+xCa1-xAlO4-xNx oxynitrides
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7:9:1:9 Thermally Robust Anion-Chain Order in Oxynitride Perovskites
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7:9:1:10 Additive Sintering, Postannealing, and Dielectric Properties of SrTaO2N
DOI:10.1111/jace.12806 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:4 AU: Sun, Shi-Kuan;Zhang, Ya-Ru;Masubuchi, Yuji;Motohashi, Teruki;Kikkawa, Shinichi;
7:9:1:11 Hot isostatic press sintering and dielectric properties of SrTaO2N ceramics
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7:9:1:12 Direct synthesis of SrTaO2N from SrCO3/Ta3N5 involving CO evolution
DOI:10.1016/j.jeurceramsoc.2014.07.003 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:3 AU: Sun, Shi-Kuan;Motohashi, Teruki;Masubuchi, Yuji;Kikkawa, Shinichi;
7:9:1:13 Subextensive Entropies and Open Order in Perovskite Oxynitrides
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7:9:1:14 A novel LaFeO3-XNX oxynitride. Synthesis and characterization
DOI:10.1016/j.jallcom.2012.09.042 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:6 AU: Sierra Gallego, G.;Marin Alzate, N.;Arnache, O.;
7:9:1:15 High-Mobility Electron Conduction in Oxynitride: Anatase TaON
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7:9:1:16 Can we predict the formability of perovskite oxynitrides from tolerance and octahedral factors?
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7:9:1:17 Morphology and band gap variations of oxynitride LaTaON2 depending on the ammonolysis temperature and precursor
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7:9:1:18 Characterization of Nd2AlO3N and Sm2AlO3N oxynitrides synthesized by carbothermal reduction and nitridation
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7:9:1:19 Effects of KC1 flux on the morphology, anion composition, and chromaticity of perovskite oxynitrides, CaTaO2N, SrTaO2N, and LaTaON2
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7:9:1:20 Oxygen transport and isotopic exchange in iron oxide/YSZ thermochemically-active materials via splitting of C(O-18)(2) at high temperature studied by thermogravimetric analysis and secondary ion mass spectrometry
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7:9:1:21 Stress stabilization of a new ferroelectric phase incorporated into SrTaO2N thin films
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7:9:1:22 New luminescent rare earth activated oxynitridosilicates and oxynitridogermanates with the apatite structure
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7:9:1:23 Synthesis, anion order and magnetic properties of RVO3-xNx perovskites (R = La, Pr, Nd; 0 <= x <= 1)
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7:9:1:24 Rare earth niobium oxynitrides, LnNbON(2-delta) (Ln = Y, La, Pr, Nd, Gd, Dy): Synthesis, structure and properties
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7:9:1:25 Enhanced leakage current behavior of Sr2Ta2O7-x/SrTiO3 bilayer dielectrics for metal-insulator-metal capacitors
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7:9:2:1 Magnetic and optical investigations on LaFeO3 powders with different particle sizes and corresponding ceramics
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7:9:2:2 Synthesis and characterization of nano-LaFeO3 powders by a soft-chemistry method and corresponding ceramics
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7:9:2:3 Pure phase LaFeO3 perovskite with improved surface area synthesized using different routes and its characterization
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7:9:2:4 Lanthanum ferrite ferromagnetic nanocrystallites by a polymeric precursor route
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7:9:2:5 Synthesis, characterization, and property studies of (La, Ag) FeO3 (0.0 <= x <= 0.3) perovskites
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7:9:2:6 Polymetallic citric complexes as precursors for spray-pyrolysis deposition of thin LaFeO3 films
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7:9:2:8 Synthesis and anomalous magnetic properties of LaFeO3 nanoparticles by hot soap method
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7:9:2:9 Synthesis of nanocrystalline LaFeO3 powders via glucose sol-gel route
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7:9:2:10 Nano-LaFeO3 powder preparation by calcining an emulsion precursor
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7:9:2:11 Conduction and magnetization improvement of BiFeO3 multiferroic nanoparticles by Ag+ doping
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7:9:2:12 Controlled synthesis of La1-xSrxCrO3 nanoparticles by hydrothermal method with nonionic surfactant and their ORR activity in alkaline medium
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7:9:3:1 Synthesis and photocatalytic properties of LaMnO3-graphene nanocomposites
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7:9:3:2 Preparation of Ca-doped LaFeO3 nanopowders in a reverse microemulsion and their visible light photocatalytic activity
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7:9:3:3 Preparation, characterization and photocatalytic activity of Co-doped LaMnO3/graphene composites
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7:9:3:4 Preparation, characterization and photocatalytic properties of terbium orthoferrite nanopowder
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7:9:3:5 Preparation of La1-xSrxMnO3/graphene thin films and their photocatalytic activity
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7:9:3:6 Hydrothermal preparation, characterization and enhanced properties of reduced graphene-BiFeO3 nanocomposite
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7:9:3:7 Emergence of ferromagnetism and Jahn-Teller distortion in LaMn1-xCrxO3 (x < 0.15)
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7:9:3:8 Single-step synthesis of nano-sized perovskite-type oxide/carbon nanotube composites and their electrocatalytic oxygen-reduction activities
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7:9:3:9 Reduction of critical field for magnetic and orbital-ordering phase transition in impurity-substituted Nd0.45Sr0.55MnO3 crystal
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7:9:3:10 Universal effect of Mn-site doping on charge ordering in La1/3Ca2/3MnO3
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7:9:3:11 Element-specific and bulk magnetism, electronic, and crystal structures of La0.70Ca0.30Mn1-xCrxO3
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7:9:3:12 Structure, Dye Degradation Activity and Stability of Oxygen Defective BaFeO3-x
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7:9:3:13 Effect of oxygen vacancy variation on the photo-assisted degradation and structural phase transition of oxygen defective Ba(Fe,Co)O3-x
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7:9:4:2 Preparation of stable cubic LaFeO3 nanoparticles using carbon nanotubes as templates
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7:9:4:3 Facile preparation of porous LaFeO3 nanomaterial by self-combustion of ionic liquids
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7:9:4:4 Photocatalytic hydrogen generation through water splitting on nano-crystalline LaFeO3 perovskite
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7:9:4:5 Structural and electrical properties of calcium substituted lanthanum ferrite powders
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7:9:4:6 LaFeO3-based nanopowders prepared by a soft-hard templating approach: the effect of silica texture
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7:9:4:7 Electrical conductivity of La1-x,Ca-x,FeO3-delta solid solutions
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7:9:4:8 Synthesis of ultrafine lanthanum ferrite (LaFeO3) fibers via electrospinning
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7:9:4:9 Synthesis and optimization of barium manganate nanofibers by electrospinning
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7:9:4:10 A simple and efficient preparation of LaFeO3 nanopowders by glycine-nitrate process: Effect of glycine concentration
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7:9:4:11 A novel doped CeO2-LaFeO3 composite oxide as both anode and cathode for solid oxide fuel cells
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7:9:4:12 Oxygen nonstoichiometry and defect chemistry of the mixed conductor La0.9Ca0.1FeO3-delta at low oxygen partial pressure
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7:9:5:1 Microwave-assisted synthesis of perovskite ReFeO3 (Re: La, Sm, Eu, Gd) photocatalyst
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7:9:5:2 Controllable synthesis of hexagonal and orthorhombic YFeO3 and their visible-light photocatalytic activities
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7:9:5:3 Synergistic photocatalytic activity of LnFeO(3) (Ln = Pr, Y) perovskites under visible-light illumination
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7:9:5:5 Synthesis of GdFeO3 microspheres assembled by nanoparticles as magnetically recoverable and visible-light-driven photocatalysts
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7:9:5:6 n-La2Ti2O7/p-LaCrO3: a novel heterojunction based composite photocatalyst with enhanced photoactivity towards hydrogen production
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7:9:5:7 Solvothermal Synthesis and Visible-Light Driven Photocatalytic Properties of YFeO3 Nanoparticles
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7:9:5:8 Preparation of Nanocrystalline GdFeO3 by Microwave Method and Its Visible-light Photocatalytic Activity
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7:9:5:9 Template-free solvothermal synthesis of ZnO nanoparticles with controllable size and their size-dependent optical properties
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7:9:5:10 Sol-gel Synthesis and Photoluminescence Characterization of Ba2SiO4:Eu2+ Green Phosphors for White-LED Application
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7:9:5:11 Low temperature crystallization of yttrium orthoferrite by organic acid-assisted sol-gel synthesis
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7:9:6:1 Evidence for Strain-Induced Ferroelectric Order in Epitaxial Thin-Film KTaO3
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7:9:6:5 Tuning of dielectric properties of SrTiO3 in the terahertz range
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7:9:6:9 Terahertz Time-Domain Spectroscopy of 0.73Pb(Mg1/3Nb2/3)O3-0.27PbTiO3 Single Crystal
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7:9:6:10 Dielectric properties of NaNbO3: SrTiO3 interface nanolayer
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7:9:6:11 Strontium titanate/silicon-based terahertz photonic crystal multilayer stack
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7:9:6:13 Tackling Polar Response in Oxygen Deficient KTaO3 Thin Films
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7:9:7:1 Nanocrystalline LaFeO3 preparation and thermal process of precursor
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7:9:7:2 Synthesis of perovskite LaCoO3 by thermal decomposition of oxalates: Phase evolution and kinetics of the thermal transformation of the precursor
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7:9:7:3 Nanocrystalline Nd2O3: Preparation, phase evolution, and kinetics of thermal decomposition of precursor
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7:9:7:4 A simple method to prepare indium oxide nanoparticles: Structural, microstructural and magnetic properties
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7:9:7:5 Nanocrystalline LaMnO3 preparation and kinetics of crystallization process
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7:9:7:6 Characterization by Fourier transform infrared spectroscopy of hydroxyapatite co-doped with zinc and fluoride
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7:9:7:7 LaCoO3 ceramics obtained from reactive powders
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7:9:7:8 Controlled synthesis of Nd(OH)(3) and Nd2O3 nanoparticles by microemulsion method
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7:9:7:9 Effect of process parameters on electrochemical properties of mechanically prepared composite powders for solid oxide fuel cells
DOI:10.1016/j.apt.2010.08.004 JN:ADVANCED POWDER TECHNOLOGY PY:2011 TC:1 AU: Hobara, Natsuro;Takizawa, Koichi;Hagiwara, Akifusa;Sato, Kazuyoshi;Abe, Hiroya;Naito, Makio;
7:9:7:10 Study of the Gelling Process in the La-Co-Citric Acid System
DOI:10.1111/j.1551-2916.2011.04965.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:4 AU: Predoana, Luminita;Jitianu, Andrei;Malic, Barbara;Zaharescu, Maria;
7:9:7:11 Template-free synthesis of neodymium hydroxide nanorods by microwave-assisted hydrothermal process, and of neodymium oxide nanorods by thermal decomposition
DOI:10.1016/j.ceramint.2012.01.065 JN:CERAMICS INTERNATIONAL PY:2012 TC:3 AU: Phuruangrat, Anukorn;Thongtem, Somchai;Thongtem, Titipun;
7:9:8:1 The influence of the additive BaGeO3 on BaSnO3 ceramics
DOI:10.1016/j.jeurceramsoc.2009.12.015 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:8 AU: Koeferstein, Roberto;Jaeger, Lothar;Zenkner, Mandy;Mueller, Thomas;Ebbinghaus, Stefan G.;
7:9:8:2 Phase transition and dielectric properties of BaTiO3 ceramics containing 10 mol% BaGeO3
DOI:10.1016/j.matchemphys.2009.08.026 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2010 TC:11 AU: Koeferstein, Roberto;Jaeger, Lothar;Zenkner, Mandy;Ebbinghaus, Stefan G.;
7:9:8:3 Influence of ZnO additive on the properties of Y-doped BaSnO3 proton conductor
DOI:10.1016/j.mseb.2011.06.009 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2011 TC:7 AU: Wang, Yanzhong;Chesnaud, Anthony;Bevillon, Emile;Yang, Jinlong;Dezanneau, Guilhem;
7:9:8:4 Semiconducting properties of Ge-doped BaSnO3 ceramic
DOI:10.1016/j.jallcom.2010.07.041 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:4 AU: Koferstein, Roberto;Yakuphanoglu, Fahrettin;
7:9:8:5 BaSnO3 based thermally stable capacitors
DOI:10.1016/j.jallcom.2012.07.072 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:3 AU: Bucur, Raul Alin;Bucur, Alexandra Ioana;Novaconi, Stefan;Nicoara, Irina;
7:9:8:6 The influence of BaGeO3 on the properties of Ba(Ti1-x Sn (x) )O-3 ceramics on the basis of sol-gel powders
DOI:10.1007/s10853-010-5092-1 JN:JOURNAL OF MATERIALS SCIENCE PY:2011 TC:2 AU: Zenkner, Mandy;Koeferstein, Roberto;Ebbinghaus, Stefan G.;Jaeger, Lothar;
7:9:8:7 Synthesis and characterization of a nano-scaled barium cerate perovskite powder using starch as polymerization agent
DOI:10.1016/j.ssi.2011.09.010 JN:SOLID STATE IONICS PY:2011 TC:3 AU: Koeferstein, Roberto;Hesse, Dietrich;Ebbinghaus, Stefan G.;
7:9:8:8 Sintering of a fine-grained BaCeO(3) powder obtained from a co-precipitation method
DOI:10.1007/s10853-010-4741-8 JN:JOURNAL OF MATERIALS SCIENCE PY:2010 TC:6 AU: Koeferstein, Roberto;Jaeger, Lothar;Ebbinghaus, Stefan G.;
7:9:8:9 Synthesis and sintering of nano-sized BaSnO3 powders containing BaGeO3
DOI:10.1007/s10853-010-4432-5 JN:JOURNAL OF MATERIALS SCIENCE PY:2010 TC:2 AU: Koeferstein, Roberto;Jaeger, Lothar;Zenkner, Mandy;Garcia-Garcia, Francisco Javier;Ebbinghaus, Stefan G.;
7:9:9:1 Sol-Gel Synthesis and Photo-Fenton-Like Catalytic Activity of EuFeO3 Nanoparticles
DOI:10.1111/j.1551-2916.2011.04522.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:25 AU: Ju, Lingling;Chen, Zhiyuan;Fang, Liang;Dong, Wen;Zheng, Fengang;Shen, Mingrong;
7:9:9:2 Controllable Synthesis of Pure-Phase Rare-Earth Orthoferrites Hollow Spheres with a Porous Shell and Their Catalytic Performance for the CO plus NO Reaction
DOI:10.1021/cm101419w JN:CHEMISTRY OF MATERIALS PY:2010 TC:33 AU: Li, Xun;Tang, Changjin;Ai, Man;Dong, Lin;Xu, Zheng;
7:9:9:3 Dielectric relaxation of NdMnO3 nanoparticles
DOI:10.1016/j.materresbull.2013.07.027 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:2 AU: Saha, Sujoy;Chanda, Sadhan;Dutta, Alo;Sinha, T. P.;
7:9:9:4 Effect of tartaric acid on the microstructure and photoluminescence of SrTiO3:Pr3+ phosphors prepared by a sol-gel method
DOI:10.1016/j.matchemphys.2010.04.012 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2010 TC:6 AU: He, Xiuxian;Dong, Wen;Zheng, Fengang;Fang, Liang;Shen, Mingrong;
7:9:9:5 Raman spectroscopy and dielectric properties of nanoceramic NdFeO3
DOI:10.1016/j.materresbull.2012.12.075 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:3 AU: Chanda, Sadhan;Saha, Sujoy;Dutta, Alo;Sinha, T. P.;
7:9:10:1 Molten salts activated by high-energy milling: A useful, low-temperature route for the synthesis of multiferroic compounds
DOI:10.1016/j.jallcom.2013.09.003 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:3 AU: Hernandez-Ramirez, Anayantzin;Martinez-Luevanos, Antonia;Fuentes, Antonio F.;Nelson, Anna-Gay D.;Ewing, Rodney C.;Montemayor, Sagrario M.;
7:9:10:2 Synthesis of LaMo3 (M = Fe, Co, Ni) using nitrate or nitrite molten salts
DOI:10.1016/j.jallcom.2010.08.073 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:15 AU: Yang, Jun;Li, Runsheng;Zhou, Junyi;Li, Xiaoci;Zhang, Yuanming;Long, Yulin;Li, Yongwang;
7:9:10:3 A "Green Chemistry" Approach to the Synthesis of Rare-Earth Aluminates: Perovskite-Type LaAlO3 Nanoparticles in Molten Nitrates
DOI:10.1111/j.1551-2916.2011.05043.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:11 AU: Mendoza-Mendoza, Esmeralda;Montemayor, Sagrario M.;Escalante-Garcia, Jose I.;Fuentes, Antonio F.;
7:9:10:4 Molten salts synthesis and electrical properties of Sr- and/or Mg-doped perovskite-type LaAlO3 powders
DOI:10.1007/s10853-012-6520-1 JN:JOURNAL OF MATERIALS SCIENCE PY:2012 TC:5 AU: Mendoza-Mendoza, Esmeralda;Padmasree, Karinjilottu P.;Montemayor, Sagrario M.;Fuentes, Antonio F.;
7:9:10:5 A facile and "green-chemistry" method to synthesize pure and Nd-doped Y3Al5O12 nanopowders at low-temperatures
DOI:10.1016/j.ceramint.2013.05.057 JN:CERAMICS INTERNATIONAL PY:2013 TC:1 AU: Mendoza-Mendoza, Esmeralda;Montemayor, Sagrario M.;Maczka, Miroslaw;Marciniak, Lukasz;Fuentes, Antonio F.;
7:9:10:6 Phase Transitions of BiFeO3-LaFeO3 Solid Solutions
DOI:10.1080/00150191003711301 JN:FERROELECTRICS PY:2010 TC:1 AU: Yoneda, Yasuhiro;Kohara, Shinji;Yoshii, Kenji;
7:9:11:1 Innovative solvo-combustion route for the rapid synthesis of MoO3 and Sm2O3 materials
DOI:10.1016/j.ceramint.2013.07.095 JN:CERAMICS INTERNATIONAL PY:2014 TC:2 AU: Ruiz-Gomez, Miguel A.;Gomez-Solis, Christian;Zarazua-Morin, Maria E.;Tones-Martinez, Leticia M.;Juarez-Ramirez, Isaias;Sanchez-Martinez, Daniel;Figueroa-Torres, Mayra Z.;
7:9:11:2 Effects of PVA content on the synthesis of LaFeO3 via sol-gel route
DOI:10.1016/j.ceramint.2010.11.045 JN:CERAMICS INTERNATIONAL PY:2011 TC:21 AU: Feng, Jiansheng;Liu, Ting;Xu, Yebin;Zhao, Jingyuan;He, Yanyan;
7:9:11:3 Low-temperature combustion synthesis of nanocrystalline HoFeO3 powders via a sol-gel method using glycin
DOI:10.1016/j.ceramint.2012.01.007 JN:CERAMICS INTERNATIONAL PY:2012 TC:6 AU: Jiang, Linwen;Liu, Weiliang;Wu, Anhua;Xu, Jun;Liu, Qian;Qian, Guoxing;Zhang, Huaijin;
7:9:11:4 Microstructural study of aged ferrite powders for sensing layers
DOI:10.1016/j.ceramint.2012.11.086 JN:CERAMICS INTERNATIONAL PY:2013 TC:2 AU: Tulliani, Jean-Marc;Borgna, Mirko;Grigioni, Ivan;Sora, Isabella Natali;
7:9:11:5 Microstructure and electrical properties of La1-xSrxFeO3(x=0-0.6) film by a screen-printing method
DOI:10.1016/j.matlet.2014.05.140 JN:MATERIALS LETTERS PY:2014 TC:0 AU: Cui, Xueying;Li, Shengli;Zhu, Xinde;
7:9:11:6 Solid-state combustion synthesis of spinel LiMn2O4 using glucose as a fuel
DOI:10.1016/j.ceramint.2012.11.068 JN:CERAMICS INTERNATIONAL PY:2013 TC:13 AU: Zhou, Xianyan;Chen, Mimi;Xiang, Mingwu;Bai, Hong Li;Guo, Junming;
7:9:11:7 Electrical characterization of room temperature humidity sensors in La0.8Sr0.2Fe1-xCuxO3 (x=0, 0.05, 0.10)
DOI:10.1016/j.ceramint.2011.11.059 JN:CERAMICS INTERNATIONAL PY:2012 TC:6 AU: Cavalieri, A.;Caronna, T.;Natali Sora, I.;Tulliani, J. M.;
7:9:12:1 Low temperature synthesis and photocatalytic property of perovskite-type LaCoO3 hollow spheres
DOI:10.1016/j.jallcom.2013.04.092 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:14 AU: Fu, Shasha;Niu, Helin;Tao, Zhiyin;Song, Jiming;Mao, Changjie;Zhang, Shengyi;Chen, Changle;Wang, Dong;
7:9:12:2 Sol-gel synthesis of Bi3.25La0.75Ti3O12 nanotubes
DOI:10.1016/j.jallcom.2011.01.115 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:4 AU: Wang, Wen;Ke, Hua;Rao, Jiancun;Feng, Jinbiao;Feng, Ming;Jia, Dechang;Zhou, Yu;
7:9:13:1 Screened hybrid functional applied to 3d(0)-> 3d(8) transition-metal perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing parameter on the structural, electronic, and magnetic properties
DOI:10.1103/PhysRevB.86.235117 JN:PHYSICAL REVIEW B PY:2012 TC:14 AU: ;FN Thomson Reuters Web of Scienceâ„¢;1.0;J;Aizin, Gregory R.;Dyer, Gregory C.;Transmission line theory of collective plasma excitations in periodic;two-dimensional electron systems: Finite plasmonic crystals and Tamm;states;PHYSICAL REVIEW B;86;23;235316;10.1103/PhysRevB.86.235316;DEC 28 2012;2012;We present a comprehensive theory of the one-dimensional plasmonic;crystal formed in the grating-gated two-dimensional electron gas (2DEG);in semiconductor heterostructures. To describe collective plasma;excitations in the 2DEG, we develop a generalized transmission line;theoretical formalism consistent with the plasma hydrodynamic model. We;then apply this formalism to analyze the plasmonic spectra of 2DEG;systems with steplike periodic changes of electron density, gate;screening, or both. We show that in a periodically modulated 2DEG, a;plasmonic crystal is formed, and we derive closed-form analytical;expressions describing its energy band spectrum for both infinite and;finite size crystals. Our results demonstrate a nonmonotonic dependence;of the plasmonic band gap width on the electron density modulation. At;so-called transparency points, where the plasmon propagates through the;periodic 2DEG in a resonant manner, the plasmonic band gaps vanish. In;semi-infinite plasmonic crystals, we demonstrate the formation of;plasmonic Tamm states and analytically derive their energy dispersion;and spatial localization. Finally, we present detailed numerical;analysis of the plasmonic band structure of a finite four-period;plasmonic crystal terminated either by an ohmic contact or by an;infinite barrier on each side. We trace the evolution of the plasmonic;band spectrum, including the Tamm states, with changing electron density;modulation and analyze the boundary conditions necessary for formation;of the Tamm states. We also analyze interaction between the Tamm states;formed at the opposite edges of the short length plasmonic crystal. The;validity of our theoretical approach was confirmed in experimental;studies of plasmonic crystals in short, modulated plasmonic cavities;[Dyer et al., Phys. Rev. Lett. 109, 126803 (2012)], which demonstrated;excellent quantitative agreement between theory and experiment.;DOI:10.1103/PhysRevB.86.235316;9;0;0;0;9;1098-0121;WOS:000312833200005;;;J;Arakawa, Tomonori;Tanaka, Takahiro;Chida, Kensaku;Matsuo, Sadashige;Nishihara, Yoshitaka;Chiba, Daichi;Kobayashi, Kensuke;Ono, Teruo;Fukushima, Akio;Yuasa, Shinji;Low-frequency and shot noises in CoFeB/MgO/CoFeB magnetic tunneling;junctions;PHYSICAL REVIEW B;86;22;224423;10.1103/PhysRevB.86.224423;DEC 28 2012;2012;The low-frequency and shot noises in spin-valve CoFeB/MgO/CoFeB magnetic;tunneling junctions were studied at low temperature. The measured 1/f;noise around the magnetic hysteresis loops of the free layer indicates;that the main origin of the 1/f noise is the magnetic fluctuation, which;is discussed in terms of a fluctuation-dissipation relation. Random;telegraph noise (RTN) is observed to be symmetrically enhanced in the;hysteresis loop with regard to the two magnetic configurations. We found;that this enhancement is caused by the fluctuation between two magnetic;states in the free layer. Although the 1/f noise is almost independent;of the magnetic configuration, the RTN is enhanced in the antiparallel;configuration. These findings indicate the presence of spin-dependent;activation of RTN. Shot noise reveals the spin-dependent coherent;tunneling process via a crystalline MgO barrier. DOI:;10.1103/PhysRevB.86.224423;Kobayashi, Kensuke/E-5404-2010;Kobayashi, Kensuke/0000-0001-7072-5945;4;0;0;0;4;1098-0121;WOS:000312832400004;;;J;Cucchiara, J.;Le Gall, S.;Fullerton, E. E.;Kim, J. -V.;Ravelosona, D.;Henry, Y.;Katine, J. A.;Kent, A. D.;Bedau, D.;Gopman, D.;Mangin, S.;Domain wall motion in nanopillar spin-valves with perpendicular;anisotropy driven by spin-transfer torques;PHYSICAL REVIEW B;86;21;214429;10.1103/PhysRevB.86.214429;DEC 28 2012;2012;Using transport measurements and micromagnetic simulations we have;investigated the domain wall motion driven by spin-transfer torques in;all-perpendicular hexagonal nanopillar spin-valves. In particular, we;probe domain walls nucleated in the free layer of the spin-valves, which;are then pinned in the devices. We have determined both the;field-current state diagrams for the domain-wall state and the thermally;activated dynamics of the nucleation and depinning processes. We show;that the nucleation process is well-described by a modified Neel-Brown;model taking into account the spin-transfer torque, whereas the;depinning process is independent of the current. This is confirmed by an;analytical calculation which shows that spin-torques have no effect on;the Arrhenius escape rate associated with thermally activated domain;wall depinning in this geometry. Furthermore, micromagnetic simulations;indicate that spin-transfer only weakly affects the domain wall motion,;but instead modifies the inner domain wall structure. DOI:;10.1103/PhysRevB.86.214429;Kim, Joo-Von/B-3672-2008; Fullerton, Eric/H-8445-2013;Kim, Joo-Von/0000-0002-3849-649X; Fullerton, Eric/0000-0002-4725-9509;0;0;0;0;0;1098-0121;WOS:000312830800003;;;J;Fernandez-Dominguez, A. I.;Zhang, P.;Luo, Y.;Maier, S. A.;Garcia-Vidal, F. J.;Pendry, J. B.;Transformation-optics insight into nonlocal effects in separated;nanowires;PHYSICAL REVIEW B;86;24;241110;10.1103/PhysRevB.86.241110;DEC 28 2012;2012;We present a transformation-optics approach which sheds analytical;insight into the impact that spatial dispersion has on the optical;response of separated dimers of metallic nanowires. We show that;nonlocal effects are apparent at interparticle distances one order of;magnitude larger than the longitudinal plasmon decay length, which;coincides with the spatial regime where electron tunneling phenomena;occur. Our method also clarifies the interplay between nonlocal and;radiation effects taking place in the nanostructure, yielding the dimer;dimensions that optimize its light harvesting capabilities. DOI:;10.1103/PhysRevB.86.241110;Luo, Yu/C-7799-2009; Fernandez-Dominguez, Antonio I./C-4448-2013; Garcia-Vidal, Francisco /B-8280-2011;Luo, Yu/0000-0003-2925-682X; Fernandez-Dominguez, Antonio;I./0000-0002-8082-395X; Garcia-Vidal, Francisco /0000-0003-4354-0982;10;0;0;0;10;1098-0121;WOS:000312834100001;;;J;Gati, E.;Koehler, S.;Guterding, D.;Wolf, B.;Knoener, S.;Ran, S.;Bud'ko, S. L.;Canfield, P. C.;Lang, M.;Hydrostatic-pressure tuning of magnetic, nonmagnetic, and;superconducting states in annealed Ca(Fe1-xCox)(2)As-2;PHYSICAL REVIEW B;86;22;220511;10.1103/PhysRevB.86.220511;DEC 28 2012;2012;We report on measurements of the magnetic susceptibility and electrical;resistance under He-gas pressure on single crystals of;Ca(Fe1-xCox)(2)As-2. We find that for properly heat-treated crystals;with modest Co concentration, x = 0.028, the salient ground states;associated with iron-arsenide superconductors, i.e.,;orthorhombic/antiferromagnetic (o/afm), superconducting, and nonmagnetic;collapsed-tetragonal (cT) states can be accessed all in one sample with;reasonably small and truly hydrostatic pressure. This is possible owing;to the extreme sensitivity of the o/afm (for T <= T-s,T-N) and;superconducting (T <= T-c) states against variation of pressure,;disclosing pressure coefficients of dT(s,N)/dP = -(1100 +/- 50) K/GPa;and dT(c)/dP = -(60 +/- 3) K/GPa, respectively. Systematic;investigations of the various phase transitions and ground states via;pressure tuning revealed no coexistence of bulk superconductivity (sc);with the o/afm state which we link to the strongly first-order character;of the corresponding structural/magnetic transition in this compound.;Our results, together with literature results, indicate that preserving;fluctuations associated with the o/afm transition to low enough;temperatures is vital for sc to form. DOI: 10.1103/PhysRevB.86.220511;Canfield, Paul/H-2698-2014;14;0;0;0;14;1098-0121;WOS:000312832400001;;;J;Hakobyan, Ye.;Tadmor, E. B.;James, R. D.;Objective quasicontinuum approach for rod problems;PHYSICAL REVIEW B;86;24;245435;10.1103/PhysRevB.86.245435;DEC 28 2012;2012;An objective quasicontinuum (OQC) method is developed for simulating;rodlike systems that can be represented as a combination of locally;objective structures. An objective structure (OS) is one for which a;group of atoms, called a "fundamental domain" (FD), is repeated using;specific rules of translation and rotation to build a more complex;structure. An objective Cauchy-Born rule defines the kinematics of the;OS atoms in terms of a set of symmetry parameters and the positions of;the FD atoms. The computational advantage lies in the capability of;representing a large system of atoms through a small set of symmetry;parameters and FD atom positions. As an illustrative example, we;consider the deformation of a copper single-crystal nanobeam which can;be described as an OS. OQC simulations are performed for uniform and;nonuniform bending for two different orientations (nanobeam axis;oriented along [111] and [100]) and compared with elastica results. In;the uniform bending case, the [111]-oriented single-crystal nanobeam;experiences elongation, while the [100]-oriented nanobeam experiences;contraction in total length. The nonuniform bending allows for;stretching, contraction, and bending as deformation. Under certain;loading conditions, dislocation nucleation is observed within the FD.;DOI: 10.1103/PhysRevB.86.245435 PACS number(s): 61.46.Km, 62.23.Hj,;81.07.Gf, 02.70.Ns;1;0;0;0;1;1098-0121;WOS:000312834100006;;;J;He, Jing;Wang, Bo;Kou, Su-Peng;Ferromagnetism and antiferromagnetism of a correlated topological;insulator with a flat band;PHYSICAL REVIEW B;86;23;235146;10.1103/PhysRevB.86.235146;DEC 28 2012;2012;In this paper, based on the mean-field approach and random-phase;approximation, we studied the magnetic properties of the spinfull;Haldane model on honeycomb lattice of topological flat band with onsite;repulsive Coulomb interaction. We found that the antiferromagnetic (AF);order is more stable than the ferromagnetic (FM) order at, or near, half;filling. Away from half filling, the phase diagram becomes complex: at;large doping, the FM order is more stable than the AF order due to the;flatness of band structure. In particular, we found that at quarter;filling, the system becomes a Chern number Q = 1 topological insulator;induced by the FM order. DOI:10.1103/PhysRevB.86.235146;1;0;0;0;1;1098-0121;WOS:000312833200002;;;J;Hu, Jianbo;Misochko, Oleg V.;Goto, Arihiro;Nakamura, Kazutaka G.;Delayed formation of coherent LO phonon-plasmon coupled modes in n- and;p-type GaAs measured using a femtosecond coherent control technique;PHYSICAL REVIEW B;86;23;235145;10.1103/PhysRevB.86.235145;DEC 28 2012;2012;Coherent control experiments using a pair of collinear femtosecond laser;pulses have been carried out to manipulate longitudinal optical (LO);phonon-plasmon coupled (LOPC) modes in both p-and n-type GaAs. By tuning;the interpulse separation, remarkably distinct responses have been;observed in the two samples. To understand the results obtained a;phenomenological model taking the delayed formation of coherent LOPC;modes into account is proposed. The model suggests that the lifetime of;coherent LOPC modes plays a key role and the interference of the;coherent LO phonons excited successively by two pump pulses strongly;affects the manipulation of coherent LOPC modes.;DOI:10.1103/PhysRevB.86.235145;Oleg, Misochko/E-6136-2013; Nakamura, Kazutaka/F-4095-2014;0;0;0;0;0;1098-0121;WOS:000312833200001;;;J;Imura, Ken-Ichiro;Okamoto, Mayuko;Yoshimura, Yukinori;Takane, Yositake;Ohtsuki, Tomi;Finite-size energy gap in weak and strong topological insulators;PHYSICAL REVIEW B;86;24;245436;10.1103/PhysRevB.86.245436;DEC 28 2012;2012;The nontrivialness of a topological insulator (TI) is characterized;either by a bulk topological invariant or by the existence of a;protected metallic surface state. Yet, in realistic samples of finite;size, this nontrivialness does not necessarily guarantee the gaplessness;of the surface state. Depending on the geometry and on the topological;indices, a finite-size energy gap of different nature can appear, and,;correspondingly, exhibit various scaling behaviors of the gap. The;spin-to-surface locking provides one such gap-opening mechanism,;resulting in a power-law scaling of the energy gap. Weak and strong TIs;show different degrees of sensitivity to the geometry of the sample. As;a noteworthy example, a strong TI nanowire of a rectangular-prism shape;is shown to be more gapped than that of a weak TI of precisely the same;geometry. DOI: 10.1103/PhysRevB.86.245436 PACS number(s): 73.22.-f,;73.20.At, 72.80.Sk;Imura, Ken/D-6633-2013;11;0;0;0;11;1098-0121;WOS:000312834100007;;;J;Lenertz, M.;Alaria, J.;Stoeffler, D.;Colis, S.;Dinia, A.;Mentre, O.;Andre, G.;Porcher, F.;Suard, E.;Magnetic structure of ground and field-induced ordered states of;low-dimensional alpha-CoV2O6: Experiment and theory;PHYSICAL REVIEW B;86;21;214428;10.1103/PhysRevB.86.214428;DEC 28 2012;2012;In this work, we investigate the magnetic properties of the monoclinic;alpha-CoV2O6 by powder neutron diffraction measurements and ab initio;calculations. An emphasis has been pointed towards the magnetic;structure and the interaction between the Co ions leading to magnetic;frustrations in this compound. Neutron diffraction experiments were;carried out both in the ground state (zero magnetic field) and under;applied external field of 2.5 and 5 T corresponding to the ferrimagnetic;and ferromagnetic states, respectively. The antiferromagnetic ground;state below 14 K corresponds to k = (1,0, 1/2) magnetic propagation;vector in C1 space group. The magnetic structure can be described by;ferromagnetic interactions along the chains (b axis) and;antiferromagnetic coupling between the chains (along a and c axes). The;ferrimagnetic structure implies a ninefold unit cell (3a, b, 3c) in;which ferromagnetic chains follow an "up-up-down" sequence along the a;and c axes. In the ferromagnetic state, the spin orientations remain;unchanged while every chain lies ferromagnetically ordered. In all;cases, the magnetic moments lie in the ac plane, along the CoO6;octahedra axis, at an angle of 9.3 degrees with respect to the c axis.;The magnetic structure of alpha-CoV2O6 resolved for all the ordered;states is successfully related to a theoretical model. Ab initio;calculations allowed us to (i) confirm the ground-state magnetic;structure, (ii) calculate the interactions between the Co ions, (iii);explain the frustration leading to the stepped variation of the;magnetization curves, (iv) calculate the orbital magnetic moment (1.5;mu(B)) on Co atoms, and (v) confirm the direction of the magnetic;moments near the c direction. DOI: 10.1103/PhysRevB.86.214428;10;0;0;0;10;1098-0121;WOS:000312830800002;;;J;Nakajima, Nobuo;Oki, Megumi;Isohama, Yoichi;Maruyama, Hiroshi;Tezuka, Yasuhisa;Ishiji, Kotaro;Iwazumi, Toshiaki;Okada, Kozo;Enhancement of dielectric constant of BaTiO3 nanoparticles studied by;resonant x-ray emission spectroscopy;PHYSICAL REVIEW B;86;22;224114;10.1103/PhysRevB.86.224114;DEC 28 2012;2012;The nanoscopic origin of the enhancement of the dielectric constant of;BaTiO3 nanoparticles was investigated by means of Ti K beta resonant;x-ray emission spectroscopy. Two inelastic peaks due to charge-transfer;excitations were observed, one of which disappeared as the particle size;(d) was reduced, while the other remained unchanged. This is consistent;with the fact that tetragonality was also reduced with decreasing d. The;origin of the large enhancement in the dielectric constant is briefly;discussed from a microscopic point of view. DOI:;10.1103/PhysRevB.86.224114;3;0;0;0;3;1098-0121;WOS:000312832400003;;;J;Olmon, Robert L.;Slovick, Brian;Johnson, Timothy W.;Shelton, David;Oh, Sang-Hyun;Boreman, Glenn D.;Raschke, Markus B.;Optical dielectric function of gold;PHYSICAL REVIEW B;86;23;235147;10.1103/PhysRevB.86.235147;DEC 28 2012;2012;In metal optics gold assumes a special status because of its practical;importance in optoelectronic and nano-optical devices, and its role as a;model system for the study of the elementary electronic excitations that;underlie the interaction of electromagnetic fields with metals. However,;largely inconsistent values for the frequency dependence of the;dielectric function describing the optical response of gold are found in;the literature. We performed precise spectroscopic ellipsometry;measurements on evaporated gold, template-stripped gold, and;single-crystal gold to determine the optical dielectric function across;a broad spectral range from 300 nm to 25 mu m (0.05-4.14 eV) with high;spectral resolution. We fit the data to the Drude free-electron model,;with an electron relaxation time tau(D) = 14 +/- 3 fs and plasma energy;h omega(p) = 8.45 eV. We find that the variation in dielectric functions;for the different types of samples is small compared to the range of;values reported in the literature. Our values, however, are comparable;to the aggregate mean of the collection of previous measurements from;over the past six decades. This suggests that although some variation;can be attributed to surface morphology, the past measurements using;different approaches seem to have been plagued more by systematic errors;than previously assumed. DOI:10.1103/PhysRevB.86.235147;22;2;0;0;22;1098-0121;WOS:000312833200003;;;J;Phuong, L. Q.;Ichimiya, M.;Ishihara, H.;Ashida, M.;Multiple light-coupling modes of confined excitons observable in;photoluminescence spectra of high-quality CuCl thin films;PHYSICAL REVIEW B;86;23;235449;10.1103/PhysRevB.86.235449;DEC 28 2012;2012;We report the observation of multiple light-coupling modes of excitons;confined in CuCl thin films with thicknesses of a few hundred nanometers;beyond the long-wavelength approximation in photoluminescence spectra.;Due to a remarkably long coupling length between light and;multinode-type excitons resulted from very high crystalline quality of;thin films, photoluminescence signals from the excitonic states;corresponding to not only odd but also even quantum numbers, which are;optically forbidden in the long-wavelength approximation, are clearly;observed. The full width at half maximum of the excitonic state deduced;qualitatively from the corresponding photoluminescence band shows almost;the same dependence on the quantum number as the theoretical prediction.;DOI:10.1103/PhysRevB.86.235449;0;0;0;0;0;1098-0121;WOS:000312833200008;;;J;Reynoso, Andres A.;Usaj, Gonzalo;Balseiro, C. A.;Feinberg, D.;Avignon, M.;Spin-orbit-induced chirality of Andreev states in Josephson junctions;PHYSICAL REVIEW B;86;21;214519;10.1103/PhysRevB.86.214519;DEC 28 2012;2012;We study Josephson junctions (JJs) in which the region between the two;superconductors is a multichannel system with Rashba spin-orbit coupling;(SOC) where a barrier or a quantum point contact (QPC) is present. These;systems might present unconventional Josephson effects such as Josephson;currents for zero phase difference or critical currents that depend on;the current direction. Here, we discuss how the spin polarizing;properties of the system in the normal state affect the spin;characteristics of the Andreev bound states inside the junction. This;results in a strong correlation between the spin of the Andreev states;and the direction in which they transport Cooper pairs. While the;current-phase relation for the JJ at zero magnetic field is;qualitatively unchanged by SOC, in the presence of a weak magnetic;field, a strongly anisotropic behavior and the mentioned anomalous;Josephson effects follow. We show that the situation is not restricted;to barriers based on constrictions such as QPCs and should generically;arise if in the normal system the direction of the carrier's spin is;linked to its direction of motion. DOI: 10.1103/PhysRevB.86.214519;Usaj, Gonzalo/E-6394-2010;Usaj, Gonzalo/0000-0002-3044-5778;5;0;0;0;5;1098-0121;WOS:000312830800005;;;J;Sato, W.;Komatsuda, S.;Ohkubo, Y.;Characteristic local association of In impurities dispersed in ZnO;PHYSICAL REVIEW B;86;23;235209;10.1103/PhysRevB.86.235209;DEC 28 2012;2012;Local environments in 0.5 at.% In-doped ZnO were investigated by means;of the time-differential perturbed angular correlation (TDPAC) method.;In a comparative study, using the Cd-111 probe nuclei as the decay;products of different parents, In-111 and Cd-111m, we found that In-111;microscopically forms a unique structure with nonradioactive In ion(s);dispersed in ZnO, whereas (111)mCd has no specific interaction with the;In impurities. The spectral damping of the TDPAC spectra is attributed;to the aftereffect following the EC decay of In-111. It was demonstrated;from the aftereffect that the local density and/or mobility of;conduction electrons at the In-111 probe site in the In-doped ZnO is;lowered due to the characteristic structure locally formed by the;dispersed In ion(s). DOI:10.1103/PhysRevB.86.235209;1;0;0;0;1;1098-0121;WOS:000312833200004;;;J;Sherman, Benjamin L.;Wilson, Hugh F.;Weeraratne, Dayanthie;Militzer, Burkhard;Ab initio simulations of hot dense methane during shock experiments;PHYSICAL REVIEW B;86;22;224113;10.1103/PhysRevB.86.224113;DEC 28 2012;2012;Using density functional theory molecular dynamics simulations, we;predict shock Hugoniot curves of precompressed methane up to 75 000 K;for initial densities ranging from 0.35 to 0.70 g cm(-3). At 4000 K, we;observe the transformation into a metallic, polymeric state consisting;of long hydrocarbon chains. These chains persist when the sample is;quenched to 300 K, leading to an increase in shock compression. At 6000;K, the sample transforms into a plasma composed of many, short-lived;chemical species. We conclude by discussing implications for the;interiors of Uranus and Neptune and analyzing the possibility of;creating a superionic state of methane in high pressure experiments.;DOI:10.1103/PhysRevB.86.224113;Wilson, Hugh/B-3447-2009;4;0;0;0;4;1098-0121;WOS:000312832400002;;;J;Trescher, Maximilian;Bergholtz, Emil J.;Flat bands with higher Chern number in pyrochlore slabs;PHYSICAL REVIEW B;86;24;241111;10.1103/PhysRevB.86.241111;DEC 28 2012;2012;A large number of recent works point to the emergence of intriguing;analogs of fractional quantum Hall states in lattice models due to;effective interactions in nearly flat bands with Chern number C = 1.;Here, we provide an intuitive and efficient construction of almost;dispersionless bands with higher Chern numbers. Inspired by the physics;of quantum Hall multilayers and pyrochlore-based transition-metal;oxides, we study a tight-binding model describing spin-orbit coupled;electrons in N parallel kagome layers connected by apical sites forming;N - 1 intermediate triangular layers (as in the pyrochlore lattice). For;each N, we find finite regions in parameter space giving a virtually;flat band with C = N. We analytically express the states within these;topological bands in terms of single-layer states and thereby explicitly;demonstrate that the C = N wave functions have an appealing structure in;which layer index and translations in reciprocal space are intricately;coupled. This provides a promising arena for new collective states of;matter. DOI: 10.1103/PhysRevB.86.241111;Bergholtz, Emil/C-3820-2008;Bergholtz, Emil/0000-0002-9739-2930;29;0;1;0;29;1098-0121;WOS:000312834100002;;;J;van Duijn, J.;Ruiz-Bustos, R.;Daoud-Aladine, A.;Kagome-like lattice distortion in the pyrochlore material Hg2Ru2O7;PHYSICAL REVIEW B;86;21;214111;10.1103/PhysRevB.86.214111;DEC 28 2012;2012;The structural transition which accompanies the metal to insulator;transition (MIT), at T = 107 K, in the pyrochlore material Hg2Ru2O7, was;investigated by high-resolution neutron powder diffraction measurements.;Below the MIT the symmetry is lowered from cubic to monoclinic and the;Ru-Ru bonds, which are equal in the pyrochlore phase (3.60147 angstrom),;become split into short (3.599 37 angstrom), medium (3.6028 angstrom),;and long bonds (3.6047 angstrom). As a result the exchange interactions;between the Ru atoms become more two dimensional. The short and medium;bonds form layers, which are separated by the long bonds, that run;parallel to the monoclinic ab plane. Overall the low-temperature;structure of Hg2Ru2O7 can best be described as a stacking of Kagome-like;layers. DOI: 10.1103/PhysRevB.86.214111;0;0;0;0;0;1098-0121;WOS:000312830800001;;;J;Vanevic, Mihajlo;Belzig, Wolfgang;Control of electron-hole pair generation by biharmonic voltage drive of;a quantum point contact;PHYSICAL REVIEW B;86;24;241306;10.1103/PhysRevB.86.241306;DEC 28 2012;2012;A time-dependent electromagnetic field creates electron-hole excitations;in a Fermi sea at low temperature. We show that the electron-hole pairs;can be generated in a controlled way using harmonic and biharmonic;time-dependent voltages applied to a quantum contact, and we obtain the;probabilities of the pair creations. For a biharmonic voltage drive, we;find that the probability of a pair creation decreases in the presence;of an in-phase second harmonic. This accounts for the suppression of the;excess noise observed experimentally (Gabelli and Reulet,;arXiv:1205.3638), proving that dynamic control and detection of;elementary excitations in quantum conductors are within the reach of the;present technology. DOI: 10.1103/PhysRevB.86.241306;6;1;0;0;6;1098-0121;WOS:000312834100004;;;J;Virgus, Yudistira;Purwanto, Wirawan;Krakauer, Henry;Zhang, Shiwei;Ab initio many-body study of cobalt adatoms adsorbed on graphene;PHYSICAL REVIEW B;86;24;241406;10.1103/PhysRevB.86.241406;DEC 28 2012;2012;Many recent calculations have been performed to study a Co atom adsorbed;on graphene, with significantly varying results on the nature of the;bonding. We use the auxiliary-field quantum Monte Carlo method and a;size-correction embedding scheme to accurately calculate the binding;energy of Co on graphene. We find that as a function of the distance h;between the Co atom and the sixfold hollow site, there are three;distinct ground states corresponding to three electronic configurations;of the Co atom. Two of these states provide binding and exhibit a;double-well feature with nearly equal binding energy of 0.4 eV at h =;1.51 and h = 1.65 angstrom, corresponding to low-spin Co-2 (3d(9) 4s(0));and high-spin Co-4 (3d(8) 4s(1)), respectively. DOI:;10.1103/PhysRevB.86.241406;3;0;0;0;3;1098-0121;WOS:000312834100005;;;J;Xing, Jie;Li, Sheng;Ding, Xiaxin;Yang, Huan;Wen, Hai-Hu;Superconductivity appears in the vicinity of semiconducting-like;behavior in CeO1-xFxBiS2;PHYSICAL REVIEW B;86;21;214518;10.1103/PhysRevB.86.214518;DEC 28 2012;2012;Resistive and magnetic properties have been measured in BiS2-based;samples CeO1-xFxBiS2 with a systematic substitution of O with F (0 < x <;0.6). In contrast to the band-structure calculations, it is found that;the parent phase of CeOBiS2 is a bad metal instead of a band insulator.;By doping electrons into the system, it is surprising to find that;superconductivity appears together with a semiconducting normal state.;This evolution is clearly different from the cuprate and the iron;pnictide systems, and is interpreted as approaching the Pomeranchuk;transition with a von Hove singularity and the possible;charge-density-wave instability. Furthermore, ferromagnetism, which may;arise from the Ce magnetic moments, has been observed in the;low-temperature region in all samples, suggesting the coexistence of;superconductivity and ferromagnetism in the superconducting samples.;DOI: 10.1103/PhysRevB.86.214518;55;0;1;0;56;1098-0121;WOS:000312830800004;;;J;Yaji, Koichiro;Hatta, Shinichiro;Aruga, Tetsuya;Okuyama, Hiroshi;Structural and electronic properties of the Pb/Ge(111)-beta(root 3 x;root 3)R30 degrees surface studied by photoelectron spectroscopy and;first-principles calculations;PHYSICAL REVIEW B;86;23;235317;10.1103/PhysRevB.86.235317;DEC 28 2012;2012;We have studied structural and electronic properties of a Ge(111);surface covered with a monatomic Pb layer [Pb/Ge(111)-beta] by means of;core-level photoelectron spectroscopy, angle-resolved photoelectron;spectroscopy (ARPES), and a first-principles band structure calculation.;There has been a controversy about the surface structure of;Pb/Ge(111)-beta between a close-packed model with a coverage of 4/3;monolayers and a trimer model with a coverage of 1 monolayer. This;problem has been examined by analyzing the line shape of a Pb 5d;core-level spectrum and comparing the experimental band structure with;those calculated for two models. The line shape of the core-level;spectrum agrees with a close-packed model. The valence band structure;observed by ARPES has been well reproduced by the calculation employing;the close-packed model. The close-packed model therefore describes;correctly the surface structure of Pb/Ge(111)-beta. The;scanning-tunneling microscopy (STM) image simulated for the close-packed;model is in good agreement with the experimental filled-state STM image,;in which three protrusions per unit cell were observed.;DOI:10.1103/PhysRevB.86.235317;Aruga, Tetsuya/B-7782-2010; Okuyama, Hiroshi/H-7570-2014;2;1;0;0;2;1098-0121;WOS:000312833200006;;;J;Yang, Shuo;Gu, Zheng-Cheng;Sun, Kai;Das Sarma, S.;Topological flat band models with arbitrary Chern numbers;PHYSICAL REVIEW B;86;24;241112;10.1103/PhysRevB.86.241112;DEC 28 2012;2012;We report the theoretical discovery of a systematic scheme to produce;topological flat bands (TFBs) with arbitrary Chern numbers. We find that;generically a multiorbital high Chern number TFB model can be;constructed by considering multilayer Chern number C = 1 TFB models with;enhanced translational symmetry. A series of models are presented as;examples, including a two-band model on a triangular lattice with a;Chern number C = 3 and an N-band square lattice model with C = N for an;arbitrary integer N. In all these models, the flatness ratio for the;TFBs is larger than 30 and increases with increasing Chern number. In;the presence of appropriate interparticle interactions, these models are;likely to lead to the formation of Abelian and non-Abelian fractional;Chern insulators. As a simple example, we test the C = 2 model with;hardcore bosons at 1/3 filling, and an intriguing fractional quantum;Hall state is observed. DOI: 10.1103/PhysRevB.86.241112;Sun, Kai/F-2282-2010; Yang, Shuo/D-1372-2011; Das Sarma, Sankar/B-2400-2009; Gu, Zheng-Cheng/L-5415-2014;Sun, Kai/0000-0001-9595-7646; Yang, Shuo/0000-0001-9733-8566;;24;0;1;0;24;1098-0121;WOS:000312834100003;;;J;Yue, Qu;Chang, Shengli;Tan, Jichun;Qin, Shiqiao;Kang, Jun;Li, Jingbo;Symmetry-dependent transport properties and bipolar spin filtering in;zigzag alpha-graphyne nanoribbons;PHYSICAL REVIEW B;86;23;235448;10.1103/PhysRevB.86.235448;DEC 28 2012;2012;First-principles calculations are performed to investigate the transport;properties of zigzag alpha-graphyne nanoribbons (ZaGNRs). It is found;that asymmetric Z alpha GNRs behave as conductors with linear;current-voltage relationships, whereas symmetric Z alpha GNRs have very;small currents under finite bias voltages, similar to those of zigzag;graphene nanoribbons. The symmetry-dependent transport properties arise;from different coupling rules between the pi and pi* subbands around the;Fermi level, which are dependent on the wave-function symmetry of the;two subbands. Based on the coupling rules, we further demonstrate the;bipolar spin-filtering effect in the symmetric Z alpha GNRs. It is shown;that nearly 100% spin-polarized current can be produced and modulated by;the direction of bias voltage and/or magnetization configuration of the;electrodes. Moreover, the magnetoresistance effect with the order larger;than 500 000% is also predicted. Our calculations suggest Z alpha GNRs;as a promising candidate material for spintronics.;DOI:10.1103/PhysRevB.86.235448;Kang, Jun/F-7105-2011;7;1;0;0;7;1098-0121;WOS:000312833200007;;;J;Berry, Joel;Provatas, Nikolas;Rottler, Joerg;Sinclair, Chad W.;Defect stability in phase-field crystal models: Stacking faults and;partial dislocations;PHYSICAL REVIEW B;86;22;224112;10.1103/PhysRevB.86.224112;DEC 27 2012;2012;The primary factors controlling defect stability in phase-field crystal;(PFC) models are examined, with illustrative examples involving several;existing variations of the model. Guidelines are presented for;constructing models with stable defect structures that maintain high;numerical efficiency. The general framework combines both long-range;elastic fields and basic features of atomic-level core structures, with;defect dynamics operable over diffusive time scales. Fundamental;elements of the resulting defect physics are characterized for the case;of fcc crystals. Stacking faults and split Shockley partial dislocations;are stabilized for the first time within the PFC formalism, and various;properties of associated defect structures are characterized. These;include the dissociation width of perfect edge and screw dislocations,;the effect of applied stresses on dissociation, Peierls strains for;glide, and dynamic contraction of gliding pairs of partials. Our results;in general are shown to compare favorably with continuum elastic;theories and experimental findings. DOI: 10.1103/PhysRevB.86.224112;Rottler, Joerg/L-5539-2013;8;0;0;0;8;1098-0121;WOS:000312831900001;;;J;Emary, Clive;Lambert, Neill;Nori, Franco;Leggett-Garg inequality in electron interferometers;PHYSICAL REVIEW B;86;23;235447;10.1103/PhysRevB.86.235447;DEC 27 2012;2012;We consider the violation of the Leggett-Garg inequality in electronic;Mach-Zehnder inteferometers. This setup has two distinct advantages over;earlier quantum-transport proposals: Firstly, the required correlation;functions can be obtained without time-resolved measurements. Secondly,;the geometry of an interferometer allows one to construct the;correlation functions from ideal negative measurements, which addresses;the noninvasiveness requirement of the Leggett-Garg inequality. We;discuss two concrete realizations of these ideas: the first in quantum;Hall edge-channels, the second in a double quantum dot interferometer.;DOI: 10.1103/PhysRevB.86.235447 PACS number(s): 03.65.Ud, 73.23.-b,;03.65.Ta, 42.50.Lc;Lambert, Neill/B-4998-2009; Emary, Clive/B-9596-2008; Nori, Franco/B-1222-2009;Emary, Clive/0000-0002-9822-8390; Nori, Franco/0000-0003-3682-7432;3;0;0;0;3;1098-0121;WOS:000312832900004;;;J;Kato, Yuto;Endo, Akira;Katsumoto, Shingo;Iye, Yasuhiro;Geometric resonances in the magnetoresistance of hexagonal lateral;superlattices;PHYSICAL REVIEW B;86;23;235315;10.1103/PhysRevB.86.235315;DEC 27 2012;2012;We have measured magnetoresistance of hexagonal lateral superlattices.;We observe three types of oscillations engendered by periodic potential;modulation having hexagonal-lattice symmetry: amplitude modulation of;the Shubnikov-de Haas oscillations, commensurability oscillations, and;the geometric resonances of open orbits generated by Bragg reflections.;The latter two reveal the presence of two characteristic periodicities,;root 3a/2 and a/2, inherent in a hexagonal lattice with the lattice;constant a. The formation of the hexagonal-superlattice minibands;manifested by the observation of open orbits marks the first step toward;realizing massless Dirac fermions in semiconductor 2DEGs. DOI:;10.1103/PhysRevB.86.235315 PACS number(s): 73.43.Qt, 73.23.-b, 73.21.Cd;1;0;0;0;1;1098-0121;WOS:000312832900002;;;J;Lin, I-Tan;Liu, Jia-Ming;Shi, Kai-Yao;Tseng, Pei-Shan;Wu, Kuang-Hsiung;Luo, Chih-Wei;Li, Lain-Jong;Terahertz optical properties of multilayer graphene: Experimental;observation of strong dependence on stacking arrangements and;misorientation angles;PHYSICAL REVIEW B;86;23;235446;10.1103/PhysRevB.86.235446;DEC 27 2012;2012;The optical conductivity of monolayer and multilayer graphene in the;terahertz spectral region is experimentally measured using terahertz;time-domain spectroscopy. The stacking arrangement and the;misorientation angle of each sample are determined by Raman;spectroscopy. The chemical potential of each sample is measured using;ultrafast midinfrared pump-probe spectroscopy to be 63 or 64 meV for all;samples. The intraband scattering rate can be obtained by fitting the;measured data with theoretical models. Other physical parameters,;including carrier density, dc conductivity, and carrier mobility, of;each sample can also be deduced from the theoretical fitting. The;fitting results show the existence of misoriented or AA-stacked layers;with an interaction energy of alpha(1) = 217 meV in our multilayer;samples. Here we show that the scattering rate strongly depends on the;stacking arrangement of the sample. High scattering rates and high;optical conductivity are associated with AA-stacked samples, while lower;ones are associated with misoriented multilayer graphene. This implies;that the THz optoelectronic properties of multilayer graphene can be;tuned by purposefully misorienting layers or employing different;stacking schemes. DOI: 10.1103/PhysRevB.86.235446 PACS number(s):;78.67.Wj, 61.48.Gh, 72.80.Vp, 73.50.Mx;Li, Lain-Jong/D-5244-2011; Luo, Chih Wei/D-3485-2013;Li, Lain-Jong/0000-0002-4059-7783; Luo, Chih Wei/0000-0002-6453-7435;11;0;0;0;11;1098-0121;WOS:000312832900003;;;J;Lundgren, Rex;Chua, Victor;Fiete, Gregory A.;Entanglement entropy and spectra of the one-dimensional Kugel-Khomskii;model;PHYSICAL REVIEW B;86;22;224422;10.1103/PhysRevB.86.224422;DEC 27 2012;2012;We study the quantum entanglement of the spin and orbital degrees of;freedom in the one-dimensional Kugel-Khomskii model, which includes both;gapless and gapped phases, using analytical techniques and exact;diagonalization with up to 16 sites. We compute the entanglement entropy;and the entanglement spectra using a variety of partitions or "cuts" of;the Hilbert space, including two distinct real-space cuts and a;momentum-space cut. Our results show that the Kugel-Khomski model;possesses a number of new features not previously encountered in studies;of the entanglement spectra. Notably, we find robust gaps in the;entanglement spectra for both gapped and gapless phases with the orbital;partition, and show these are not connected to each other. The counting;of the low-lying entanglement eigenvalues shows that the "virtual edge";picture, which equates the low-energy Hamiltonian of a virtual edge,;here one gapless leg of a two-leg ladder, to the "low-energy";entanglement Hamiltonian, breaks down for this model, even though the;equivalence has been shown to hold for a similar cut in a large class of;closely related models. In addition, we show that a momentum space cut;in the gapless phase leads to qualitative differences in the;entanglement spectrum when compared with the same cut in the gapless;spin-1/2 Heisenberg spin chain. We emphasize the new information content;in the entanglement spectra compared to the entanglement entropy, and;using quantum entanglement, we present a refined phase diagram of the;model. Using analytical arguments, exploiting various symmetries of the;model, and applying arguments of adiabatic continuity from two exactly;solvable points of the model, we are also able to prove several results;regarding the structure of the low-lying entanglement eigenvalues. DOI:;10.1103/PhysRevB.86.224422;11;0;1;0;12;1098-0121;WOS:000312831900002;;;J;L'vov, Victor S.;Nazarenko, Sergey V.;Comment on "Symmetry of Kelvin-wave dynamics and the Kelvin-wave cascade;in the T=0 superfluid turbulence";PHYSICAL REVIEW B;86;22;226501;10.1103/PhysRevB.86.226501;DEC 27 2012;2012;We comment on the paper by Sonin [Phys. Rev. B 85, 104516 (2012)] with;most statements of which we disagree. We use this option to shed light;on some important issues of a theory of Kelvin-wave turbulence, touched;on in Sonin's paper, in particular, on the relation between the Vinen;spectrum of strong and the L'vov-Nazarenko spectrum of weak turbulence;of Kelvin waves. We also discuss the role of explicit calculation of the;Kelvin-wave interaction Hamiltonian and "symmetry arguments" that have;to resolve a contradiction between the Kozik-Svistunov and the;L'vov-Nazarenko spectrum of weak turbulence of Kelvin waves. DOI:;10.1103/PhysRevB.86.226501;5;1;0;0;5;1098-0121;WOS:000312831900003;;;J;Misguich, G.;Schwinger boson mean-field theory: Numerics for the energy landscape and;gauge excitations in two-dimensional antiferromagnets;PHYSICAL REVIEW B;86;24;245132;10.1103/PhysRevB.86.245132;DEC 27 2012;2012;We perform some systematic numerical search for Schwinger boson;mean-field states on square and triangular clusters. We look for;possible inhomogeneous ground states as well as low-energy excited;saddle points. The spectrum of the Hessian is also computed for each;solution. On the square lattice, we find gapless U(1) gauge modes in the;nonmagnetic phase. In the Z(2) liquid phase of the triangular lattice,;we identify the topological degeneracy as well as vison states.;DOI:10.1103/PhysRevB.86.245132;2;0;0;0;2;1098-0121;WOS:000312833600001;;;J;Mokhlespour, Salman;Haverkort, J. E. M.;Slepyan, Gregory;Maksimenko, Sergey;Hoffmann, A.;Collective spontaneous emission in coupled quantum dots: Physical;mechanism of quantum nanoantenna;PHYSICAL REVIEW B;86;24;245322;10.1103/PhysRevB.86.245322;DEC 27 2012;2012;We investigate the collective spontaneous emission in a system of two;identical quantum dots (QDs) strongly coupled through the dipole-dipole;(d-d) interaction. The QDs are modeled as two-level quantum objects,;while the d-d interaction is described as the exchange of a virtual;photon through the photonic reservoir. The master equation approach is;used in the analysis. The main attention is focused on antenna;characteristics of the two-QD system-the radiation intensity dependence;on the meridian and azimuthal angles of observation. We show that the;radiation pattern of such a system is nonstationary and its temporal;behavior depends on the initial quantum state. In particular, for;entangled initial states the radiative pattern exhibits oscillations on;the frequency which corresponds to the d-d interaction energy. We also;analyze spectral properties of the directional diagram. The comparison;of radiation patterns is carried out for two QDs and two classical;dipoles. The concept of quantum nanoantenna is proposed based on;collective spontaneous emission in QD ensembles.;DOI:10.1103/PhysRevB.86.245322;Maksimenko, Sergey/F-1888-2011;Maksimenko, Sergey/0000-0002-8271-0449;8;1;0;0;8;1098-0121;WOS:000312833600002;;;J;Muravev, V. M.;Gusikhin, P. A.;Tsydynzhapov, G. E.;Fortunatov, A. A.;Kukushkin, I. V.;Spectroscopy of terahertz radiation using high-Q photonic crystal;microcavities;PHYSICAL REVIEW B;86;23;235144;10.1103/PhysRevB.86.235144;DEC 27 2012;2012;We report observation of high-Q resonance in the photoresponse of a;detector embedded in the 2D photonic crystal slab (PCS) microcavity;illuminated by terahertz radiation. The detector and PCS are fabricated;from a single GaAs wafer in a unified process. The influence of the;period of PCS lattice, microcavity geometry, and detector location on;the resonant photoresponse is studied. The resonance is found to;originate from coupling of the fundamental PCS microcavity photon mode;to the detector. The phenomenon can be exploited to devise a;spectrometer-on-a-chip for terahertz range. DOI:;10.1103/PhysRevB.86.235144 PACS number(s): 42.50.-p, 42.70.Qs, 42.79.-e,;73.21.-b;0;0;0;0;0;1098-0121;WOS:000312832900001;;;J;Reguzzoni, M.;Fasolino, A.;Molinari, E.;Righi, M. C.;Potential energy surface for graphene on graphene: Ab initio derivation,;analytical description, and microscopic interpretation;PHYSICAL REVIEW B;86;24;245434;10.1103/PhysRevB.86.245434;DEC 27 2012;2012;We derive an analytical expression that describes the interaction energy;between two graphene layers identically oriented as a function of the;relative lateral and vertical positions, in excellent agreement with;first principles calculations. Thanks to its formal simplicity, the;proposed model allows for an immediate interpretation of the;interactions, in particular of the potential corrugation. This last;quantity plays a crucial role in determining the intrinsic resistance to;interlayer sliding and its increase upon compression influences the;frictional behavior under load. We show that, for these weakly adherent;layers, the corrugation possesses the same nature and z dependence of;Pauli repulsion. We investigate the microscopic origin of these;phenomena by analyzing the electronic charge distribution: We observe a;pressure-induced charge transfer from the interlayer region toward the;near-layer regions, with a much more consistent depletion of charge;occurring for the AA stacking than for the AB stacking of the two;layers. DOI:10.1103/PhysRevB.86.245434;8;0;0;0;8;1098-0121;WOS:000312833600003;;;J;Sonin, E. B.;Reply to "Comment on 'Symmetry of Kelvin-wave dynamics and the;Kelvin-wave cascade in the T=0 superfluid turbulence'";PHYSICAL REVIEW B;86;22;226502;10.1103/PhysRevB.86.226502;DEC 27 2012;2012;The goal of the Comment by L'vov and Nazarenko is to refute my;perviously published criticism of their mechanism of the Kelvin-wave;cascade. It is important, however, that, in their Comment, L'vov and;Nazarenko admitted that the Hamiltonian, from which they derived their;mechanism, is not tilt invariant. This provides full ammunition to their;critics, who believe that their mechanism is in conflict with the tilt;symmetry of the Kelvin-wave dynamics and, therefore, is not valid for;the real isotropic world. DOI: 10.1103/PhysRevB.86.226502;3;1;0;0;3;1098-0121;WOS:000312831900004;;;J;Swaminathan, Narasimhan;Morgan, Dane;Szlufarska, Izabela;Role of recombination kinetics and grain size in radiation-induced;amorphization;PHYSICAL REVIEW B;86;21;214110;10.1103/PhysRevB.86.214110;DEC 27 2012;2012;Using a rate theory model for a generic one-component material, we;investigated interactions between grain size and recombination kinetics;of radiation-induced defects. Specifically, by varying parametrically;nondimensional kinetic barriers for defect diffusion and recombination,;we determined the effect of these parameters on the shape of the dose to;amorphization versus temperature curves. We found that whether grain;refinement to the nanometer regime improves or deteriorates radiation;resistance of a material depends on the barriers to defect migration and;recombination, as well as on the temperature for the intended use of the;material. We show that the effects of recombination barriers and of;grain refinement can be coupled to each other to produce a phenomenon of;interstitial starvation. In interstitial starvation, a significant;number of interstitials annihilate at the grain boundary, leaving behind;unrecombined vacancies, which in turn amorphize the material. The same;rate theory model with material-specific parameters was used to predict;the grain-size dependence of the critical amorphization temperature in;SiC. Parameters for the SiC model were taken from ab initio;calculations. We find that the fine-grained SiC has a lower radiation;resistance when compared to the polycrystalline SiC due to the presence;of high-energy barrier for recombination of carbon Frenkel pairs and due;to the interstitial starvation phenomenon. DOI:;10.1103/PhysRevB.86.214110;Morgan, Dane/B-7972-2008;Morgan, Dane/0000-0002-4911-0046;5;0;0;0;5;1098-0121;WOS:000312830600001;;;J;Ahart, Muhtar;Sinogeikin, Stanislav;Shebanova, Olga;Ikuta, Daijo;Ye, Zuo-Guang;Mao, Ho-kwang;Cohen, R. E.;Hemley, Russell J.;Pressure dependence of the monoclinic phase in;(1-x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) solid solutions;PHYSICAL REVIEW B;86;22;224111;10.1103/PhysRevB.86.224111;DEC 26 2012;2012;We combine high-pressure x-ray diffraction, high-pressure Raman;scattering, and optical microscopy to investigate a series of (1 -;x)Pb(Mg1/3Nb2/3)O-3-xPbTiO(3) (PMN-xPT) solid solutions (x = 0.2, 0.3,;0.33, 0.35, 0.37, 0.4) in diamond anvil cells up to 20 GPa at 300 K. The;Raman spectra show a peak centered at 380 cm(-1) starting above 6 GPa;for all samples, in agreement with previous observations. X-ray;diffraction measurements are consistent with this spectral change;indicating a structural phase transition; we find that the triplet at;the pseudocubic (220) Bragg peak merges into a doublet above 6 GPa. Our;results indicate that the morphotropic phase boundary region (x = 0.33 -;0.37) with the presence of monoclinic symmetry persists up to 7 GPa. The;pressure dependence of ferroelectric domains in PMN-0.32PT single;crystals was observed using a polarizing optical microscope. The domain;wall density decreases with pressure and the domains disappear at a;modest pressure of 3 GPa. We propose a pressure-composition phase;diagram for PMN-xPT solid solutions. DOI: 10.1103/PhysRevB.86.224111;Cohen, Ronald/B-3784-2010;Cohen, Ronald/0000-0001-5871-2359;2;0;0;0;2;1098-0121;WOS:000312831800006;;;J;Akrap, Ana;Tran, Michael;Ubaldini, Alberto;Teyssier, Jeremie;Giannini, Enrico;van der Marel, Dirk;Lerch, Philippe;Homes, Christopher C.;Optical properties of Bi2Te2Se at ambient and high pressures;PHYSICAL REVIEW B;86;23;235207;10.1103/PhysRevB.86.235207;DEC 26 2012;2012;The temperature dependence of the complex optical properties of the;three-dimensional topological insulator Bi2Te2Se is reported for light;polarized in the a-b planes at ambient pressure, as well as the effects;of pressure at room temperature. This material displays a semiconducting;character with a bulk optical gap of E-g similar or equal to 300 meV at;295 K. In addition to the two expected infrared-active vibrations;observed in the planes, there is an additional fine structure that is;attributed to either the removal of degeneracy or the activation of;Raman modes due to disorder. A strong impurity band located at similar;or equal to 200 cm(-1) is also observed. At and just above the optical;gap, several interband absorptions are found to show a strong;temperature and pressure dependence. As the temperature is lowered these;features increase in strength and harden. The application of pressure;leads to a very abrupt closing of the gap above 8 GPa, and strongly;modifies the interband absorptions in the midinfrared spectral range.;While ab initio calculations fail to predict the collapse of the gap,;they do successfully describe the size of the band gap at ambient;pressure, and the magnitude and shape of the optical conductivity. DOI:;10.1103/PhysRevB.86.235207;Teyssier, Jeremie/A-6867-2013; Akrap, Ana/G-1409-2013;Akrap, Ana/0000-0003-4493-5273;10;0;0;0;10;1098-0121;WOS:000312832600007;;;J;Andersen, Kirsten;Jacobsen, Karsten W.;Thygesen, Kristian S.;Spatially resolved quantum plasmon modes in metallic nano-films from;first-principles;PHYSICAL REVIEW B;86;24;245129;10.1103/PhysRevB.86.245129;DEC 26 2012;2012;Electron energy loss spectroscopy (EELS) can be used to probe plasmon;excitations in nanostructured materials with atomic-scale spatial;resolution. For structures smaller than a few nanometers, quantum;effects are expected to be important, limiting the validity of widely;used semiclassical response models. Here we present a method to identify;and compute spatially resolved plasmon modes from first-principles based;on a spectral analysis of the dynamical dielectric function. As an;example we calculate the plasmon modes of 0.5 to 4 nm thick Na films and;find that they can be classified as (conventional) surface modes,;subsurface modes, and a discrete set of bulk modes resembling standing;waves across the film. We find clear effects of both quantum confinement;and nonlocal response. The quantum plasmon modes provide an intuitive;picture of collective excitations of confined electron systems and offer;a clear interpretation of spatially resolved EELS spectra. DOI:;10.1103/PhysRevB.86.245129;Jacobsen, Karsten/B-3602-2009; Thygesen, Kristian /B-1062-2011;6;0;0;0;6;1098-0121;WOS:000312833400007;;;J;Baker, A. M. R.;Alexander-Webber, J. A.;Altebaeumer, T.;Janssen, T. J. B. M.;Tzalenchuk, A.;Lara-Avila, S.;Kubatkin, S.;Yakimova, R.;Lin, C. -T.;Li, L. -J.;Nicholas, R. J.;Weak localization scattering lengths in epitaxial, and CVD graphene;PHYSICAL REVIEW B;86;23;235441;10.1103/PhysRevB.86.235441;DEC 26 2012;2012;Weak localization in graphene is studied as a function of carrier;density in the range from 1 x 10(11) cm(-2) to 1.43 x 10(13) cm(-2);using devices produced by epitaxial growth onto SiC and CVD growth on;thin metal film. The magnetic field dependent weak localization is found;to be well fitted by theory, which is then used to analyze the;dependence of the scattering lengths L-phi, L-i, and L-* on carrier;density. We find no significant carrier dependence for L-phi, a weak;decrease for L-i with increasing carrier density just beyond a large;standard error, and a n(-1/4) dependence for L-*. We demonstrate that;currents as low as 0.01 nA are required in smaller devices to avoid;hot-electron artifacts in measurements of the quantum corrections to;conductivity. DOI: 10.1103/PhysRevB.86.235441;Lara-Avila, Samuel/B-4878-2013; Lin, Cheng-Te/D-5203-2011; Materials, Semiconductor/I-6323-2013;Lara-Avila, Samuel/0000-0002-8331-718X; Lin,;Cheng-Te/0000-0002-7090-9610;;11;0;0;0;11;1098-0121;WOS:000312832600015;;;J;Bergeret, F. S.;Verso, A.;Volkov, A. F.;Electronic transport through ferromagnetic and superconducting junctions;with spin-filter tunneling barriers;PHYSICAL REVIEW B;86;21;214516;10.1103/PhysRevB.86.214516;DEC 26 2012;2012;We present a theoretical study of the quasiparticle and subgap;conductance of generic X/I-sf/S-M junctions with a spin-filter barrier;I-sf, where X is either a normal N or a ferromagnetic metal F and S-M is;a superconductor with a built-in exchange field. Our study is based on;the tunneling Hamiltonian and the Green's-function technique. First, we;focus on the quasiparticle transport, both above and below the;superconducting critical temperature. We obtain a general expression for;the tunneling conductance which is valid for arbitrary values of the;exchange field and arbitrary magnetization directions in the electrodes;and in the spin-filter barrier. In the second part, we consider the;subgap conductance of a N/I-sf/S junction, where S is a conventional;superconductor. In order to account for the spin-filter effect at;interfaces, we heuristically derive boundary conditions for the;quasiclassical Green's functions. With the help of these boundary;conditions, we show that the proximity effect and the subgap conductance;are suppressed by spin filtering in a N/I-sf/S junction. Our work;provides useful tools for the study of spin-polarized transport in;hybrid structures both in the normal and in the superconducting state.;DOI: 10.1103/PhysRevB.86.214516;CSIC-UPV/EHU, CFM/F-4867-2012; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;7;1;0;0;7;1098-0121;WOS:000312830400009;;;J;Beugnot, Jean-Charles;Laude, Vincent;Electrostriction and guidance of acoustic phonons in optical fibers;PHYSICAL REVIEW B;86;22;224304;10.1103/PhysRevB.86.224304;DEC 26 2012;2012;We investigate the generation of acoustic phonons in optical fibers via;electrostriction from coherent optical waves. Solving the elastodynamic;equation subject to the electrostrictive force, we are able to reproduce;the experimental spectra found in standard and photonic crystal fibers.;We discuss the two important practical cases of forward interaction,;dominated by elastic resonances of the fiber, and backward interaction,;for which an efficient mechanism of phonon guidance is found. The last;result describes the formation of the coherent phonon beam involved in;stimulated Brillouin scattering. DOI: 10.1103/PhysRevB.86.224304;Laude, Vincent/C-4484-2008;Laude, Vincent/0000-0001-8930-8797;3;0;0;0;3;1098-0121;WOS:000312831800007;;;J;Blanc, Nils;Coraux, Johann;Vo-Van, Chi;N'Diaye, Alpha T.;Geaymond, Olivier;Renaud, Gilles;Local deformations and incommensurability of high-quality epitaxial;graphene on a weakly interacting transition metal;PHYSICAL REVIEW B;86;23;235439;10.1103/PhysRevB.86.235439;DEC 26 2012;2012;We investigate the fine structure of graphene on iridium, which is a;model for graphene weakly interacting with a transition-metal substrate.;Even the highest-quality epitaxial graphene displays tiny imperfections,;i.e., small biaxial strains of similar to 0.3%, rotations of similar to;0.5 degrees, and shears over distances of similar to 100 nm, and is;found incommensurate, as revealed by x-ray diffraction and scanning;tunneling microscopy. These structural variations are mostly induced by;the increase of the lattice parameter mismatch when cooling the sample;from the graphene preparation temperature to the measurement;temperature. Although graphene weakly interacts with iridium, its;thermal expansion is found to be positive, contrary to free-standing;graphene. The structure of graphene and its variations is very sensitive;to the preparation conditions. All these effects are consistent with;initial growth and subsequent pinning of graphene at steps. DOI:;10.1103/PhysRevB.86.235439;Coraux, Johann/A-7897-2008;5;0;0;0;5;1098-0121;WOS:000312832600013;;;J;Blomeier, S.;Candeloro, P.;Hillebrands, B.;Reuscher, B.;Brodyanski, A.;Kopnarski, M.;Micromagnetism and magnetization reversal of embedded ferromagnetic;elements (vol 74, 184405, 2006);PHYSICAL REVIEW B;86;21;219904;10.1103/PhysRevB.86.219904;DEC 26 2012;2012;Hillebrands, Burkard/C-6242-2008;Hillebrands, Burkard/0000-0001-8910-0355;0;0;0;0;0;1098-0121;WOS:000312830400011;;;J;Bud'ko, Sergey L.;Liu, Yong;Lograsso, Thomas A.;Canfield, Paul C.;Hydrostatic and uniaxial pressure dependence of superconducting;transition temperature of KFe2As2 single crystals;PHYSICAL REVIEW B;86;22;224514;10.1103/PhysRevB.86.224514;DEC 26 2012;2012;We present heat capacity, c-axis thermal expansion and;pressure-dependent, low-field, temperature-dependent magnetization for;pressures up to similar to 12 kbar, data for KFe2As2 single crystals.;T-c decreases under pressure with dT(c)/dP approximate to -0.10 K/kbar.;The inferred uniaxial, c-axis, pressure derivative is positive,;dT(c)/dp(c) approximate to 0.11 K/kbar. The data are analyzed in;comparison with those for overdoped Fe-based superconductors. Arguments;are presented that superconductivity in KFe2As2 may be different from;the other overdoped, Fe-based materials in the 122 family. DOI:;10.1103/PhysRevB.86.224514;Canfield, Paul/H-2698-2014;9;0;0;0;9;1098-0121;WOS:000312831800013;;;J;Bulaevskii, Lev N.;Lin, Shi-Zeng;Self-induced pinning of vortices in the presence of ac driving force in;magnetic superconductors;PHYSICAL REVIEW B;86;22;224513;10.1103/PhysRevB.86.224513;DEC 26 2012;2012;We derive the response of the magnetic superconductors in the vortex;state to the ac Lorentz force, F-L (t) = F-ac sin(omega t), taking into;account the interaction of vortices with the magnetic moments described;by the relaxation dynamics (polaronic effect). At low amplitudes of the;driving force F-ac the dissipation in the system is suppressed due to;the enhancement of the effective viscosity at low frequencies and due to;formation of the magnetic pinning at high frequencies omega. In the;adiabatic limit with low frequencies omega and high amplitude of the;driving force F-ac, the vortex and magnetic polarization form a vortex;polaron when F-L (t) is small. When F-L increases, the vortex polaron;accelerates and at a threshold driving force, the vortex polaron;dissociates and the motion of vortex and the relaxation of magnetization;are decoupled. When F-L decreases, the vortex is retrapped by the;background of remnant magnetization and they again form vortex polaron.;This process repeats when F-L (t) increases in the opposite direction.;Remarkably, after dissociation, decoupled vortices move in the periodic;potential induced by magnetization which remains for some periods of;time due to retardation after the decoupling. At this stage vortices;oscillate with high frequencies determined by the Lorentz force at the;moment of dissociation. We derive also the creep rate of vortices and;show that magnetic moments suppress creep rate. DOI:;10.1103/PhysRevB.86.224513;Lin, Shi-Zeng/B-2906-2008;Lin, Shi-Zeng/0000-0002-4368-5244;3;0;0;0;3;1098-0121;WOS:000312831800012;;;J;Butler, C. A. M.;Hobson, P. A.;Hibbins, A. P.;Sambles, J. R.;Resonant microwave transmission from a double layer of subwavelength;metal square arrays: Evanescent handedness;PHYSICAL REVIEW B;86;24;241109;10.1103/PhysRevB.86.241109;DEC 26 2012;2012;Adouble layer of identical subwavelengthmetal patch arrays is;experimentally shown to be electromagnetically chiral due to the;evanescent coupling of the near fields between nonchiral layers-it;exhibits "evanescent handedness." Despite each layer being intrinsically;isotropic in the plane with four mirror planes orthogonal to the plane;of the structure, circular dichroism, leading to significant;polarization rotation, is found in the resonant microwave transmission;for any incident linear polarization. DOI: 10.1103/PhysRevB.86.241109;1;0;0;0;1;1098-0121;WOS:000312833400002;;;J;Calder, S.;Cao, G. -X.;Lumsden, M. D.;Kim, J. W.;Gai, Z.;Sales, B. C.;Mandrus, D.;Christianson, A. D.;Magnetic structural change of Sr2IrO4 upon Mn doping;PHYSICAL REVIEW B;86;22;220403;10.1103/PhysRevB.86.220403;DEC 26 2012;2012;The layered 5d transition-metal oxide Sr2IrO4 has been shown to host a;novel J(eff) = 1/2 Mott spin-orbit insulating state with;antiferromagnetic ordering, leading to comparisons with the layered;cuprates. Here we study the effect of substituting Mn for Ir in single;crystals of Sr2Ir0.9Mn0.1O4 through an investigation involving bulk;measurements and resonant x-ray and neutron scattering. We observe a new;long-range magnetic structure emerge upon doping through a reordering of;the spins from the basal plane to the c axis with a reduced ordering;temperature compared to Sr2IrO4 . The strong enhancement of the magnetic;x-ray scattering intensity at the L-3 edge relative to the L-2 edge;indicates that the J(eff) = 1/2 state is robust and capable of hosting a;variety of ground states. DOI: 10.1103/PhysRevB.86.220403;Gai, Zheng/B-5327-2012; Mandrus, David/H-3090-2014;Gai, Zheng/0000-0002-6099-4559;;9;1;0;0;9;1098-0121;WOS:000312831800002;;;J;Camjayi, Alberto;Arrachea, Liliana;Conductance of a quantum dot in the Kondo regime connected to dirty;wires;PHYSICAL REVIEW B;86;23;235143;10.1103/PhysRevB.86.235143;DEC 26 2012;2012;We study the transport behavior induced by a small bias voltage through;a quantum dot connected to one-channel disordered wires by means of a;quantum Monte Carlo method. We model the quantum dot by the;Hubbard-Anderson impurity and the wires by the one-dimensional Anderson;model with diagonal disorder within a length. We present a complete;description of the probability distribution function of the conductance;within the Kondo regime. DOI: 10.1103/PhysRevB.86.235143;1;0;0;0;1;1098-0121;WOS:000312832600005;;;J;Chen, Ying;Liu, Rui;Cai, Min;Shinar, Ruth;Shinar, Joseph;Extremely strong room-temperature transient photocurrent-detected;magnetic resonance in organic devices;PHYSICAL REVIEW B;86;23;235442;10.1103/PhysRevB.86.235442;DEC 26 2012;2012;An extremely strong room-temperature photocurrent- (PC- or I-PC-);detected magnetic resonance (PCDMR) that elucidates transport and;trapping phenomena in organic devices, in particular solar cells, is;described. When monitoring the transient PCDMR in indium tin oxide;(ITO)/poly(2-methoxy-5-(2'-ethyl)-hexoxy-1,4-phenylenevinylene);(MEH-PPV)/Al devices, where the MEH-PPV film was baked overnight at 100;degrees C in O-2, it is observed that | Delta I-PC/I-PC| peaks at values;>> 1, where Delta I-PC is the change in I-PC induced by magnetic;resonance conditions. Importantly, Delta I-PC and I-PC are of different;origin. The mechanism most likely responsible for this effect is the;spin-dependent formation of spinless bipolarons adjacent to negatively;charged deep traps, apparently induced in particular by oxygen centers,;to form trions. DOI: 10.1103/PhysRevB.86.235442;Cai, Min/A-2678-2014;1;0;0;0;1;1098-0121;WOS:000312832600016;;;J;Cho, Gil Young;Bardarson, Jens H.;Lu, Yuan-Ming;Moore, Joel E.;Superconductivity of doped Weyl semimetals: Finite-momentum pairing and;electronic analog of the He-3-A phase;PHYSICAL REVIEW B;86;21;214514;10.1103/PhysRevB.86.214514;DEC 26 2012;2012;We study superconducting states of doped inversion-symmetric Weyl;semimetals. Specifically, we consider a lattice model realizing a Weyl;semimetal with an inversion symmetry and study the superconducting;instability in the presence of a short-ranged attractive interaction.;With a phonon-mediated attractive interaction, we find two competing;states: a fully gapped finite-momentum Fulde-Ferrell-Larkin-Ovchinnikov;pairing state and a nodal even-parity pairing state. We show that, in a;BCS-type approximation, the finite-momentum pairing state is;energetically favored over the usual even-parity paired state and is;robust against weak disorder. Although energetically unfavorable, the;even-parity pairing state provides an electronic analog of the He-3-A;phase in that the nodes of the even-parity state carry nontrivial;winding numbers and therefore support a surface flat band. We briefly;discuss other possible superconducting states that may be realized in;Weyl semimetals. DOI: 10.1103/PhysRevB.86.214514;12;0;0;0;12;1098-0121;WOS:000312830400007;;;J;Duivenvoorden, Kasper;Quella, Thomas;Discriminating string order parameter for topological phases of gapped;SU(N) spin chains;PHYSICAL REVIEW B;86;23;235142;10.1103/PhysRevB.86.235142;DEC 26 2012;2012;One-dimensional gapped spin chains with symmetry PSU(N) = SU(N)/Z(N) are;known to possess N different topological phases. In this paper, we;introduce a nonlocal string order parameter which characterizes each of;these N phases unambiguously. Numerics confirm that our order parameter;allows one to extract a quantized topological invariant from a given;nondegenerate gapped ground state wave function. Discontinuous jumps in;the discrete topological order that arise when varying physical;couplings in the Hamiltonian may be used to detect quantum phase;transitions between different topological phases. DOI:;10.1103/PhysRevB.86.235142;Quella, Thomas/A-2630-2012;Quella, Thomas/0000-0002-5441-4124;6;0;0;0;6;1098-0121;WOS:000312832600004;;;J;Gao Xianlong;Chen, A-Hai;Tokatly, I. V.;Kurth, S.;Lattice density functional theory at finite temperature with strongly;density-dependent exchange-correlation potentials;PHYSICAL REVIEW B;86;23;235139;10.1103/PhysRevB.86.235139;DEC 26 2012;2012;The derivative discontinuity of the exchange-correlation (xc) energy at;an integer particle number is a property of the exact, unknown xc;functional of density functional theory (DFT) which is absent in many;popular local and semilocal approximations. In lattice DFT,;approximations exist which exhibit a discontinuity in the xc potential;at half-filling. However, due to convergence problems of the Kohn-Sham;(KS) self-consistency cycle, the use of these functionals is mostly;restricted to situations where the local density is away from;half-filling. Here a numerical scheme for the self-consistent solution;of the lattice KS Hamiltonian with a local xc potential with rapid (or;quasidiscontinuous) density dependence is suggested. The problem is;formulated in terms of finite-temperature DFT where the discontinuity in;the xc potential emerges naturally in the limit of zero temperature. A;simple parametrization is suggested for the xc potential of the uniform;one-dimensional (1D) Hubbard model at finite temperature which is;obtained from the solution of the thermodynamic Bethe ansatz. The;feasibility of the numerical scheme is demonstrated by application to a;model of fermionic atoms in a harmonic trap. The corresponding density;profile exhibits a plateau of integer occupation at low temperatures;which melts away for higher temperatures. DOI:;10.1103/PhysRevB.86.235139;Tokatly, Ilya/D-9554-2011; Chen, Ahai/D-6169-2013; Xianlong, Gao/K-8744-2012;Tokatly, Ilya/0000-0001-6288-0689; Xianlong, Gao/0000-0001-6914-3163;4;0;0;0;4;1098-0121;WOS:000312832600001;;;J;Hanson, George W.;Forati, Ebrahim;Linz, Whitney;Yakovlev, Alexander B.;Excitation of terahertz surface plasmons on graphene surfaces by an;elementary dipole and quantum emitter: Strong electrodynamic effect of;dielectric support;PHYSICAL REVIEW B;86;23;235440;10.1103/PhysRevB.86.235440;DEC 26 2012;2012;The excitation of transverse magnetic (TM) surface plasmons by a point;dipole in the vicinity of a multilayered graphene/dielectric system is;examined. It was previously shown that the surface plasmon (SP) excited;by a vertical dipole on an isolated graphene sheet exhibits a strong;excitation peak in the THz region; here we show that, in the presence of;a finite-thickness dielectric support layer such as SiO2, considerable;spectral content is transferred to a second (perturbed dielectric slab);mode, greatly decreasing and redshifting the excitation peak. The;presence of a Si half-space also diminishes the excitation strength, but;for graphene on top of SiO2-Si the presence of the SiO2 layer creates a;spacer restoring the excitation peak. A two-level quantum emitter is;also considered, where it is shown that the addition of a thin;dielectric support slab and SiO2-Si geometries affects the spontaneous;decay rate in a manner similar to the classical dipole SP excitation;peak. DOI: 10.1103/PhysRevB.86.235440;10;0;0;0;10;1098-0121;WOS:000312832600014;;;J;Hillier, N. J.;Foroozani, N.;Zocco, D. A.;Hamlin, J. J.;Baumbach, R. E.;Lum, I. K.;Maple, M. B.;Schilling, J. S.;Intrinsic dependence of T-c on hydrostatic (He-gas) pressure for;superconducting LaFePO, PrFePO, and NdFePO single crystals;PHYSICAL REVIEW B;86;21;214517;10.1103/PhysRevB.86.214517;DEC 26 2012;2012;Since their discovery in 2008, the Fe-based superconductors have;attracted a great deal of interest. Regrettably, themechanism(s);responsible for the superconductivity has yet to be unequivocally;identified. High pressure is an important variable since its application;moderates the pairing interaction. Thus far, the LnFePO (Ln = La, Pr,;Nd, Sm, Gd) family of superconductors has received relatively little;attention. Early high-pressure studies on LaFePO found that T-c;initially increased with pressure before passing through a maximum at;higher pressures. The present studies on both polycrystalline and;single-crystalline LaFePO, PrFePO, and NdFePO utilize the most;hydrostatic pressure medium available, i.e., dense He. Surprisingly, for;all samples, T-c is found to initially decrease rapidly with pressure at;the rate dT(c)/dP similar or equal to -2 to -3K/GPa. Less hydrostatic;pressure media thus appear to enhance the value of T-c in these;materials. These results give yet further evidence that the;superconducting state in Fe-based superconductors is extraordinarly;sensitive to lattice strain. DOI: 10.1103/PhysRevB.86.214517;Foroozani, Neda/H-2720-2013; Zocco, Diego/O-3440-2014;2;0;0;0;2;1098-0121;WOS:000312830400010;;;J;Hinuma, Yoyo;Oba, Fumiyasu;Kumagai, Yu;Tanaka, Isao;Ionization potentials of (112) and (11(2)over-bar) facet surfaces of;CuInSe2 and CuGaSe2;PHYSICAL REVIEW B;86;24;245433;10.1103/PhysRevB.86.245433;DEC 26 2012;2012;The ionization potentials of the faceted and nonfaceted (110) surfaces;of CuInSe2 (CIS) and CuGaSe2 (CGS), which are key components of;CuIn1-xGaxSe2 (CIGS) thin-film solar cells, are investigated using;first-principles calculations based on a hybrid Hartree-Fock density;functional theory approach. Slab models of the chalcopyrite (110);surface with both (112) and (11 (2) over bar) facets on each surface of;the slab are employed. Surface energy evaluations point out that two;types of faceted surfaces with point defects, namely a combination of;Cu-In (Cu-Ga) and In-Cu (Ga-Cu) antisites and a combination of Cu;vacancies and In-Cu (Ga-Cu) antisites, are the most stable depending on;the chemical potentials. The ionization potentials are evaluated with;two definitions: One highly sensitive to and the other less sensitive to;localized surface states. The latter varies by 0.4 eV in CIS and 0.5 eV;in CGS with the surface structure. The ionization potentials are reduced;by 0.2 eV for faceted surfaces with Cu-In (Cu-Ga) and In-Cu (Ga-Cu);antisites when the effects of the localized surface states are;considered. The values of both ionization potentials are similar between;CIS and CGS with a difference of about 0.1 eV for the most stable;surface structures. DOI: 10.1103/PhysRevB.86.245433;Kumagai, Yu/H-8104-2012; Tanaka, Isao/B-5941-2009; Oba, Fumiyasu/J-9723-2014;9;0;1;0;9;1098-0121;WOS:000312833400018;;;J;Hortamani, M.;Wiesendanger, R.;Role of hybridization in the Rashba splitting of noble metal monolayers;on W(110);PHYSICAL REVIEW B;86;23;235437;10.1103/PhysRevB.86.235437;DEC 26 2012;2012;In contradiction to the nature of the spin-orbit driven Rashba splitting;of surface states which increases with atomic number, Shikin et al.;[Phys. Rev. Lett. 100, 057601 (2008)] have observed that the size of the;splitting in Au overlayers on W(110) is smaller than for Ag overlayers.;In the framework of first-principle density functional theory, we have;studied the origin of the Rashba splitting at Au/Ag overlayers on the;W(110) surface. We show how the asymmetric behavior of the wave function;in the vicinity of the surface atom nucleus, in addition to the strength;of the nuclear potential gradient, plays a crucial role for the size of;the splitting. The influence of the electronic structure and spin;dependent hybridization on the Rashba splitting is discussed. The;asymmetric behavior of the surface wave function originates from the;surface-interface sp-d hybridization. We find that a spin dependent;hybridization in the Ag overlayer influences strongly the size of the;Rashba splitting. DOI: 10.1103/PhysRevB.86.235437;1;0;0;0;1;1098-0121;WOS:000312832600011;;;J;Hu, Xiang;Rueegg, Andreas;Fiete, Gregory A.;Topological phases in layered pyrochlore oxide thin films along the;[111] direction;PHYSICAL REVIEW B;86;23;235141;10.1103/PhysRevB.86.235141;DEC 26 2012;2012;We theoretically study a multiband Hubbard model of pyrochlore oxides of;the form A(2)B(2)O(7), where B is a heavy transition metal ion with;strong spin-orbit coupling, in a thin-film geometry orientated along the;[111] direction. Along this direction, the pyrochlore lattice consists;of alternating kagome and triangular lattice planes of B ions. We;consider a single kagome layer, a bilayer, and the two different;trilayers. As a function of the strength of the spin-orbit coupling, the;direct and indirect d-orbital hopping, and the band filling, we identify;a number of scenarios where a noninteracting time-reversal-invariant;Z(2) topological phase is expected and we suggest some candidate;materials. We study the interactions in the half-filled d shell within;Hartree-Fock theory and identify parameter regimes where a zero magnetic;field Chern insulator with Chern number +/- 1 can be found. The most;promising geometries for topological phases appear to be the bilayer;which supports both a Z(2) topological insulator and a Chern insulator,;and the triangular-kagome-triangular trilayer which supports a;relatively robust Chern insulator phase. DOI: 10.1103/PhysRevB.86.235141;Ruegg, Andreas/B-4498-2010;12;0;0;0;12;1098-0121;WOS:000312832600003;;;J;Janotti, A.;Bjaalie, L.;Gordon, L.;Van de Walle, C. G.;Controlling the density of the two-dimensional electron gas at the;SrTiO3/LaAlO3 interface;PHYSICAL REVIEW B;86;24;241108;10.1103/PhysRevB.86.241108;DEC 26 2012;2012;The polar discontinuity at the SrTiO3/LaAlO3 interface (STO/LAO) can in;principle sustain an electron density of 3.3 x 10(14) cm(-2) (0.5;electrons per unit cell). However, experimentally observed densities are;more than an order of magnitude lower. Using a combination of;first-principles and Schrodinger-Poisson simulations we show that the;problem lies in the asymmetric nature of the structure, i.e., the;inability to form a second LAO/STO interface that is a mirror image of;the first, or to fully passivate the LAO surface. Our insights apply to;oxide interfaces in general, explaining for instance why the;SrTiO3/GdTiO3 interface has been found to exhibit the full density of;3.3 x 10(14) cm(-2). DOI: 10.1103/PhysRevB.86.241108;Janotti, Anderson/F-1773-2011; Van de Walle, Chris/A-6623-2012;Janotti, Anderson/0000-0001-5028-8338; Van de Walle,;Chris/0000-0002-4212-5990;11;0;0;0;11;1098-0121;WOS:000312833400001;;;J;Kim, Changsoo;Jo, Euna;Kang, Byeongki;Kwon, Sangil;Lee, Soonchil;Shim, Jeong Hyun;Suzuki, Takehiko;Katsufuji, Takuro;Giant magnetic anisotropy in Mn3O4 investigated by Mn-55(2+) and;Mn-55(3+) NMR;PHYSICAL REVIEW B;86;22;224420;10.1103/PhysRevB.86.224420;DEC 26 2012;2012;In Mn3O4, the magnetization along the c axis is different from that;along the ab plane even in the strong field of 30 T. To investigate the;origin of the huge magnetic anisotropy, Mn2+ and Mn3+ nuclear magnetic;resonance spectra were measured in the 7-T magnetic field. The canting;angle of the magnetic moments was estimated for various directions of;field by rotating a single-crystalline Mn3O4 sample. One of the main;results is that Mn3+ moments lie nearly in the ab plane in the external;field perpendicular to the plane, meaning that the macroscopic magnetic;anisotropy of Mn3O4 originates from the magnetic anisotropy of Mn3+ in;the ab plane. The anisotropy field is estimated to be about 65 T. It is;obvious that the Yafet-Kittel structure made of Mn2+ and Mn3+ spins lies;in the ab plane due to this huge magnetic anisotropy, contrary to the;previous reports. By the least-squares fit of the canting angle data for;various field directions to a simple model, we obtained that J(BB) =;1.88J(AB) - 0.09 meV and K-A = -14.7J(AB) + 2.0 meV, where J(AB), J(BB),;and K-A are the exchange interaction constants between Mn2+ moments,;Mn2+ and Mn3+ moments, and an anisotropy constant of Mn2+, respectively.;DOI: 10.1103/PhysRevB.86.224420;Suzuki, Takehito/B-3038-2013; Lee, Soonchil/C-1963-2011;3;0;0;0;3;1098-0121;WOS:000312831800010;;;J;Kimber, Robin G. E.;Wright, Edward N.;O'Kane, Simon E. J.;Walker, Alison B.;Blakesley, James C.;Mesoscopic kinetic Monte Carlo modeling of organic photovoltaic device;characteristics;PHYSICAL REVIEW B;86;23;235206;10.1103/PhysRevB.86.235206;DEC 26 2012;2012;Measured mobility and current-voltage characteristics of single layer;and photovoltaic (PV) devices composed of;poly{9,9-dioctylfluorene-co-bis[N,N'-(4-butylphenyl)]bis(N,N'-phenyl-1,4;-phenylene)diamine} (PFB) and;poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT) have been;reproduced by a mesoscopic model employing the kinetic Monte Carlo (KMC);approach. Our aim is to show how to avoid the uncertainties common in;electrical transport models arising from the need to fit a large number;of parameters when little information is available, for example, a;single current-voltage curve. Here, simulation parameters are derived;from a series of measurements using a self-consistent "building-blocks";approach, starting from data on the simplest systems. We found that site;energies show disorder and that correlations in the site energies and a;distribution of deep traps must be included in order to reproduce;measured charge mobility-field curves at low charge densities in bulk;PFB and F8BT. The parameter set from the mobility-field curves;reproduces the unipolar current in single layers of PFB and F8BT and;allows us to deduce charge injection barriers. Finally, by combining;these disorder descriptions and injection barriers with an optical;model, the external quantum efficiency and current densities of blend;and bilayer organic PV devices can be successfully reproduced across a;voltage range encompassing reverse and forward bias, with the;recombination rate the only parameter to be fitted, found to be 1 x;10(7) s(-1). These findings demonstrate an approach that removes some of;the arbitrariness present in transport models of organic devices, which;validates the KMC as an accurate description of organic optoelectronic;systems, and provides information on the microscopic origins of the;device behavior. DOI: 10.1103PhysRevB.86.235206;20;0;1;0;20;1098-0121;WOS:000312832600006;;;J;Kishine, Jun-ichiro;Bostrem, I. G.;Ovchinnikov, A. S.;Sinitsyn, Vl. E.;Coherent sliding dynamics and spin motive force driven by crossed;magnetic fields in a chiral helimagnet;PHYSICAL REVIEW B;86;21;214426;10.1103/PhysRevB.86.214426;DEC 26 2012;2012;We demonstrate that the chiral soliton lattice formed from a chiral;helimagnet exhibits a coherent sliding motion when a time-dependent;magnetic field is applied parallel to the helical axis, in addition to a;static field perpendicular to the helical axis. To describe the coherent;sliding, we use the collective coordinate method and a numerical;analysis. We also show that the time-dependent sliding velocity causes a;time-varying Berry cap which creates a spin motive force. A salient;feature of the chiral soliton lattice is the appearance of a strongly;amplified spin motive force which is directly proportional to the;macroscopic number of solitons (magnetic kinks). DOI:;10.1103/PhysRevB.86.214426;2;0;0;0;2;1098-0121;WOS:000312830400005;;;J;Kratzer, M.;Rubezhanska, M.;Prehal, C.;Beinik, I.;Kondratenko, S. V.;Kozyrev, Yu N.;Teichert, C.;Electrical and photovoltaic properties of self-assembled Ge nanodomes on;Si(001);PHYSICAL REVIEW B;86;24;245320;10.1103/PhysRevB.86.245320;DEC 26 2012;2012;SiGe nano-size islands play a key role in novel electronic and;optoelectronic devices. Therefore, the understanding of basic electrical;properties of individual nanoislands is crucial. Here, the electrical;and photovoltaic properties of individual self-assembled Ge nanodomes;(NDs) on Si(001) have been studied by conductive and photoconductive;atomic force microscopy (AFM). The transition areas between the {113};and {15 3 23} facets turned out to be most conductive whereas the {113};facets exhibit minimum conductivity, which is attributed to a local;increase in Si concentration. Local current-to-voltage measurements;revealed that the NDs show an ohmic resistance, which is in the M Omega;region and scales with the ND-substrate interface area. Upon;illumination by the AFM feedback laser at 860 nm, a photovoltage is;generated. This photovoltage originates in the p-i-n structure formed;between the p-type substrate, the Ge ND, and the n-type diamond AFM;probe. DOI: 10.1103/PhysRevB.86.245320;Teichert, Christian/F-1003-2013;3;0;0;0;3;1098-0121;WOS:000312833400010;;;J;Kudasov, Yu. B.;Maslov, D. A.;Frustration and charge order in LuFe2O4;PHYSICAL REVIEW B;86;21;214427;10.1103/PhysRevB.86.214427;DEC 26 2012;2012;The nature of a transition from two-to three-dimensional charge order;(2D-CO -> 3D-CO) in the multiferroic material LuFe2O4 is discussed. It;is shown that a high-temperature ordered phase of the Ising model with;antiferromagnetic or antiferroelectric (AF) interactions on a triangular;bilayer (W layer) is a dimer partially disordered AF (DPDA) state, which;is a generalization of a well-known partially disordered AF structure;for the triangular lattice. The DPDA state is stable against a variation;of interaction parameters in a wide range. It is demonstrated that the;transition of W layers to the DPDA state gives rise to the 2D-CO phase;in LuFe2O4 at a high temperature. DOI: 10.1103/PhysRevB.86.214427;1;1;0;0;1;1098-0121;WOS:000312830400006;;;J;Lee, Janghee;Park, Joonbum;Lee, Jae-Hyeong;Kim, Jun Sung;Lee, Hu-Jong;Gate-tuned differentiation of surface-conducting states in;Bi1.5Sb0.5Te1.7Se1.3 topological-insulator thin crystals;PHYSICAL REVIEW B;86;24;245321;10.1103/PhysRevB.86.245321;DEC 26 2012;2012;Using field-angle, temperature, and back-gate-voltage dependence of the;weak antilocalization (WAL) and universal conductance fluctuations of;thin Bi1.5Sb0.5Te1.7Se1.3 topological-insulator single crystals, in;combination with gate-tuned Hall resistivity measurements, we reliably;separated the surface conduction of the topological nature from both the;bulk conduction and topologically trivial surface conduction. We;minimized the bulk conduction in the crystals and back-gate tuned the;Fermi level to the topological bottom-surface band while keeping the top;surface insensitive to back-gating with the optimal crystal thickness of;similar to 100 nm. We argue that the WAL effect occurring by the;coherent diffusive motion of carriers in relatively low magnetic fields;is more essential than other transport tools such as the Shubnikov-de;Hass oscillations for confirming the conduction by the topologically;protected surface state. Our approach provides a highly coherent picture;of the surface transport properties of topological insulators and a;reliable means of investigating the fundamental topological nature of;surface conduction and possible quantum-device applications related to;momentum-locked spin polarization in surface states. DOI:;10.1103/PhysRevB.86.245321;Kim, Jun Sung/G-8861-2012; Lee, Janghee/E-7471-2013;Lee, Janghee/0000-0002-7398-9097;11;2;1;0;11;1098-0121;WOS:000312833400011;;;J;Lee, Soo-Yong;Lee, Hyun-Woo;Sim, H. -S.;Visibility recovery by strong interaction in an electronic Mach-Zehnder;interferometer;PHYSICAL REVIEW B;86;23;235444;10.1103/PhysRevB.86.235444;DEC 26 2012;2012;We study the evolution of a single-electron packet of Lorentzian shape;along an edge of the integer quantum Hall regime or in a Mach-Zehnder;interferometer, considering a capacitive Coulomb interaction and using a;bosonization approach. When the packet propagates along a chiral quantum;Hall edge, we find that its electron density profile becomes more;distorted from Lorentzian due to the generation of electron-hole;excitations, as the interaction strength increases yet stays in a;weak-interaction regime. However, as the interaction strength becomes;larger and enters a strong-interaction regime, the distortion becomes;weaker and eventually the Lorentzian packet shape is recovered. The;recovery of the packet shape leads to an interesting feature of the;interference visibility of the symmetric Mach-Zehnder interferometer;whose two arms have the same interaction strength. As the interaction;strength increases, the visibility decreases from the maximum value in;the weak-interaction regime and then increases to the maximum value in;the strong-interaction regime. We argue that this counterintuitive;result also occurs under other types of interactions. DOI:;10.1103/PhysRevB.86.235444;Lee, Hyun-Woo/B-8995-2008; Sim, Heung-Sun/C-1624-2011;Lee, Hyun-Woo/0000-0002-1648-8093;;1;0;0;0;1;1098-0121;WOS:000312832600018;;;J;Li, Qiuzi;Rossi, E.;Das Sarma, S.;Two-dimensional electronic transport on the surface of three-dimensional;topological insulators;PHYSICAL REVIEW B;86;23;235443;10.1103/PhysRevB.86.235443;DEC 26 2012;2012;We present a theoretical approach to describe the two-dimensional (2D);transport properties of the surfaces of three-dimensional topological;insulators (3DTIs) including disorder and phonon scattering effects. The;method that we present is able to take into account the effects of the;strong disorder-induced carrier density inhomogeneities that;characterize the ground state of the surfaces of 3DTIs, especially at;low doping, as recently shown experimentally. Due to the inhomogeneous;nature of the carrier density landscape, standard theoretical techniques;based on ensemble averaging over disorder assuming a spatially uniform;average carrier density are inadequate. Moreover the presence of strong;spatial potential and density fluctuations greatly enhances the effect;of thermally activated processes on the transport properties. The theory;presented is able to take into account all the effects due to the;disorder-induced inhomogeneities, momentum scattering by disorder, and;the effect of electron-phonon scattering processes. As a result the;developed theory is able to accurately describe the transport properties;of the surfaces of 3DTIs both at zero and finite temperature. DOI:;10.1103/PhysRevB.86.235443;Rossi, Enrico/K-2837-2012; Li, Qiuzi/F-6474-2011; Das Sarma, Sankar/B-2400-2009;Rossi, Enrico/0000-0002-2647-3610;;8;1;0;0;8;1098-0121;WOS:000312832600017;;;J;Liang, S. H.;Liu, D. P.;Tao, L. L.;Han, X. F.;Guo, Hong;Organic magnetic tunnel junctions: The role of metal-molecule interface;PHYSICAL REVIEW B;86;22;224419;10.1103/PhysRevB.86.224419;DEC 26 2012;2012;We report a first-principles theoretical investigation of spin-polarized;quantum transport in organic magnetic tunnel junctions (OMTJs) to;provide a microscopic understanding on the sign of the tunnel;magnetoresistance ratio (TMR). We consider two different OMTJs, formed;by sandwiching 1-stearic acid radicals (1-SAR) or 1,18-stearic diacid;radicals (1,18-SDR) between two Ni electrodes. Even though the main;difference between them is only on one of the Ni/molecule contacts, such;a structure difference is found to induce a significant sign change of;the TMR. The TMR is negative for 1-SAR at -19.6%, but is positive for;1,18-SDR at 13.7%. By investigating the concept of scattering density of;states (SDOS), we found that scattering processes of p electrons at the;Ni/molecule interface determines the sign of TMR. Based on spin;polarization of the SDOS, we extend the Julliere model to explain both;the sign and the value of the TMR qualitatively and semiquantitatively.;It is concluded that understanding spin-polarized quantum transport in;organic magnetic tunnel junction requires a comprehensive knowledge of;the electronic structures of the molecule, the metal electrode, and the;metal-molecule contacts. DOI: 10.1103/PhysRevB.86.224419;Guo, Hong/A-8084-2010;4;0;0;0;4;1098-0121;WOS:000312831800009;;;J;Liew, T. C. H.;Holographic arrays based on semiconductor microstructures;PHYSICAL REVIEW B;86;23;235314;10.1103/PhysRevB.86.235314;DEC 26 2012;2012;A concept of complex reflectivity modulation is proposed based on the;electrical control of quantum well exciton resonances that influence the;propagation of light in a layered semiconductor structure. By variation;in exciton energies, both the intensity and the phase of reflected light;can be fully controlled. Unlike previous devices, for full complex light;modulation, the design is based on a single device in a single;structure. The device allows complete 100% intensity contrast and allows;for the construction of small pixel sizes with fast response times. DOI:;10.1103/PhysRevB.86.235314;1;0;0;0;1;1098-0121;WOS:000312832600010;;;J;Lin, Chien-Hung;Sensarma, Rajdeep;Sengupta, K.;Sarma, S. Das;Quantum dynamics of disordered bosons in an optical lattice;PHYSICAL REVIEW B;86;21;214207;10.1103/PhysRevB.86.214207;DEC 26 2012;2012;We study the equilibrium and nonequilibrium properties of strongly;interacting bosons on a lattice in the presence of a random bounded;disorder potential. Using a Gutzwiller projected variational technique,;we study the equilibrium phase diagram of the disordered Bose-Hubbard;model and obtain the Mott insulator, Bose glass, and superfluid phases.;We also study the nonequilibrium response of the system under a periodic;temporal drive where, starting from the superfluid phase, the hopping;parameter is ramped down linearly in time, and back to its initial;value. We study the density of excitations created, the change in the;superfluid order parameter, and the energy pumped into the system in;this process as a function of the inverse ramp rate tau. For the clean;case the density of excitations goes to a constant, while the order;parameter and energy relax as 1/tau and 1/tau(2) respectively. With;disorder, the excitation density decays exponentially with t, with the;decay rate increasing with the disorder, to an asymptotic value;independent of the disorder. The energy and change in order parameter;also decrease as tau is increased. DOI: 10.1103/PhysRevB.86.214207;Das Sarma, Sankar/B-2400-2009;1;0;0;0;1;1098-0121;WOS:000312830400001;;;J;Luo, Yongkang;Bao, Jinke;Shen, Chenyi;Han, Jieke;Yang, Xiaojun;Lv, Chen;Li, Yuke;Jiao, Wenhe;Si, Bingqi;Feng, Chunmu;Dai, Jianhui;Cao, Guanghan;Xu, Zhu-An;Magnetism and crystalline electric field effect in ThCr2Si2-type;CeNi2As2;PHYSICAL REVIEW B;86;24;245130;10.1103/PhysRevB.86.245130;DEC 26 2012;2012;A millimeter-sized ThCr2Si2-type CeNi2As2 single crystal was synthesized;by the NaAs flux method and its physical properties were investigated by;magnetization, transport, and specific-heat measurements. In contrast to;the previously reported CaBe2Ge2-type CeNi2As2, the ThCr2Si2-type;CeNi2As2 is a highly anisotropic uniaxial antiferromagnet with the;transition temperature T-N = 4.8 K. A magnetic-field-induced spin-flop;transition was seen below T-N when the applied B is parallel to the c;axis, the magnetic easy axis, together with a huge frustration parameter;f = theta(W)/T-N. A pronounced Schottky-type anomaly in specific heat;was also found around 160 K, which could be attributed to the;crystalline electric field effect with the excitation energies being;fitted to Delta(1) = 325 K and Delta(2) = 520 K, respectively. Moreover,;the in-plane resistivity anisotropy and low-temperature x-ray;diffractions suggest that this compound is a rare example exhibiting a;possible structure distortion induced by the 4f-electron magnetic;frustration. DOI: 10.1103/PhysRevB.86.245130;Cao, Guanghan/C-4753-2008;5;0;0;0;5;1098-0121;WOS:000312833400008;;;J;Margaris, G.;Trohidou, K. N.;Iannotti, V.;Ausanio, G.;Lanotte, L.;Fiorani, D.;Magnetic behavior of dense nanoparticle assemblies: Interplay of;interparticle interactions and particle system morphology;PHYSICAL REVIEW B;86;21;214425;10.1103/PhysRevB.86.214425;DEC 26 2012;2012;The role of interparticle interactions and the morphology in the;magnetic behavior of dense assemblies of Fe nanoparticles with;concentration well above the percolation threshold has been studied;using the Monte Carlo simulations technique. The initial and;temperature-dependent magnetization curves have been calculated for;different conditions of the assembly morphology and the interparticle;interaction strengths. Our simulations showed that the strong;competition between the anisotropy and exchange energies in nonuniform;dense assemblies results in a frustration of the nanoparticles moments;coupling and creates plateaus and abrupt steps, which indicate a sudden,;collective spin reversal, for low and intermediate dipolar strengths. In;the case of strong dipolar interactions, the stepwise behavior becomes;smoother and gradually disappears. DOI: 10.1103/PhysRevB.86.214425;2;0;0;0;2;1098-0121;WOS:000312830400004;;;J;Marom, Noa;Caruso, Fabio;Ren, Xinguo;Hofmann, Oliver T.;Koerzdoerfer, Thomas;Chelikowsky, James R.;Rubio, Angel;Scheffler, Matthias;Rinke, Patrick;Benchmark of GW methods for azabenzenes;PHYSICAL REVIEW B;86;24;245127;10.1103/PhysRevB.86.245127;DEC 26 2012;2012;Many-body perturbation theory in the GW approximation is a useful method;for describing electronic properties associated with charged;excitations. A hierarchy of GW methods exists, starting from;non-self-consistent G(0)W(0), through partial self-consistency in the;eigenvalues and in the Green's function (scGW(0)), to fully;self-consistent GW (scGW). Here, we assess the performance of these;methods for benzene, pyridine, and the diazines. The quasiparticle;spectra are compared to photoemission spectroscopy (PES) experiments;with respect to all measured particle removal energies and the ordering;of the frontier orbitals. We find that the accuracy of the calculated;spectra does not match the expectations based on their level of;self-consistency. In particular, for certain starting points G(0)W(0);and scGW(0) provide spectra in better agreement with the PES than scGW.;DOI: 10.1103/PhysRevB.86.245127;Rinke, Patrick/A-4208-2010; Caruso, Fabio/D-5917-2013; Korzdorfer, Thomas/B-8266-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Ren, Xinguo/N-4768-2014;Rinke, Patrick/0000-0002-5967-9965;;17;0;0;0;17;1098-0121;WOS:000312833400006;;;J;Marty, K.;Christianson, A. D.;dos Santos, A. M.;Sipos, B.;Matsubayashi, K.;Uwatoko, Y.;Fernandez-Baca, J. A.;Tulk, C. A.;Maier, T. A.;Sales, B. C.;Lumsden, M. D.;Effect of pressure on the neutron spin resonance in the unconventional;superconductor FeTe0.6Se0.4;PHYSICAL REVIEW B;86;22;220509;10.1103/PhysRevB.86.220509;DEC 26 2012;2012;We have carried out a pressure study of the unconventional;superconductor FeTe0.6Se0.4 up to 1.5 GPa by neutron scattering,;resistivity, and magnetic susceptibility measurements. The neutron spin;resonance energy and the superconducting transition temperature have;been extracted as a function of applied pressure in samples obtained;from the same crystal. Both increase with pressure up to amaximum at;approximate to 1.3 GPa, directly demonstrating a correlation between;these two fundamental parameters of unconventional superconductivity. A;comparison between the quantitative evolution of T-c and the resonance;energy as a function of applied pressure is also discussed. These;measurements serve to demonstrate the feasibility of using pressure;dependent inelastic neutron scattering to explore the relationship;between the resonance energy and T-c in unconventional superconductors.;DOI: 10.1103/PhysRevB.86.220509;Maier, Thomas/F-6759-2012; Fernandez-Baca, Jaime/C-3984-2014; Matsubayashi, Kazuyuki/F-7696-2013;3;0;0;0;3;1098-0121;WOS:000312831800004;;;J;Mesterhazy, D.;Berges, J.;von Smekal, L.;Effect of short-range interactions on the quantum critical behavior of;spinless fermions on the honeycomb lattice;PHYSICAL REVIEW B;86;24;245431;10.1103/PhysRevB.86.245431;DEC 26 2012;2012;We present a functional renormalization group investigation of an;Euclidean three-dimensional matrix Yukawa model with U(N) symmetry,;which describes N = 2 Weyl fermions that effectively interact via a;short-range repulsive interaction. This system relates to an effective;low-energy theory of spinless electrons on the honeycomb lattice and can;be seen as a simple model for suspended graphene. We find a continuous;phase transition characterized by large anomalous dimensions for the;fermions and composite degrees of freedom. The critical exponents define;a new universality class distinct from Gross-Neveu type models,;typically considered in this context. DOI: 10.1103/PhysRevB.86.245431;7;0;0;0;7;1098-0121;WOS:000312833400016;;;J;Mizuguchi, Yoshikazu;Fujihisa, Hiroshi;Gotoh, Yoshito;Suzuki, Katsuhiro;Usui, Hidetomo;Kuroki, Kazuhiko;Demura, Satoshi;Takano, Yoshihiko;Izawa, Hiroki;Miura, Osuke;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;86;22;220510;10.1103/PhysRevB.86.220510;DEC 26 2012;2012;Exotic superconductivity has often been discovered in materials with a;layered (two-dimensional) crystal structure. The low dimensionality can;affect the electronic structure and can realize high transition;temperatures (T-c) and/or unconventional superconductivity mechanisms.;We show superconductivity in a new bismuth-oxysulfide compound Bi4O4S3.;Crystal structure analysis indicates that this superconductor has a;layered structure composed of a stacking of spacer layers and BiS2;layers. Band calculation suggests that the Fermi level for Bi4O4S3 is;just on the peak position of the partial density of states of the Bi 6p;orbital within the BiS2 layer. The BiS2 layer will be a basic structure;which provides another universality class for a layered superconducting;family, and this opens up a new field in the physics and chemistry of;low-dimensional superconductors. DOI: 10.1103/PhysRevB.86.220510;68;0;3;0;70;1098-0121;WOS:000312831800005;;;J;Mutiso, Rose M.;Sherrott, Michelle C.;Li, Ju;Winey, Karen I.;Simulations and generalized model of the effect of filler size;dispersity on electrical percolation in rod networks;PHYSICAL REVIEW B;86;21;214306;10.1103/PhysRevB.86.214306;DEC 26 2012;2012;We present a three-dimensional simulation of electrical conductivity in;isotropic, polydisperse rod networks from which we determine the;percolation threshold (phi(c)). Existing analytical models that account;for size dispersity are formulated in the slender-rod limit and are less;accurate for predicting phi(c) in composites with rods of modest L/D.;Using empirical approximations from our simulation data, we generalized;the excluded volume percolation model to account for both finite L/D and;size dispersity, providing a solution for phi(c) of polydisperse rod;networks that is quantitatively accurate across the entire L/D range.;DOI: 10.1103/PhysRevB.86.214306;Li, Ju/A-2993-2008;Li, Ju/0000-0002-7841-8058;12;0;0;0;12;1098-0121;WOS:000312830400002;;;J;Nishikawa, Y.;Hewson, A. C.;Hund's rule coupling in models of magnetic impurities and quantum dots;PHYSICAL REVIEW B;86;24;245131;10.1103/PhysRevB.86.245131;DEC 26 2012;2012;Studies of the effects of the Hund's rule coupling J(H) in multiple;orbit impurities or quantum dots using different models have led to;quite different predictions for the Kondo temperature T-K as a function;of J(H). We show that the differences depend on whether or not the;models conserve orbital angular momentum about the impurity site. Using;numerical renormalization-group calculations, we deduce the renormalized;parameters for the Fermi liquid regime and show that, despite the;differences between the models, the low-energy fixed point in the;strong-correlation regime is universal, with a single energy scale T-K;and just two renormalized interaction parameters, a renormalized single;orbital term, (U) over tilde = 4T(K), and a renormalized Hund's rule;term, (J) over tilde (H) = 8T(K)/3. DOI: 10.1103/PhysRevB.86.245131;3;0;0;0;3;1098-0121;WOS:000312833400009;;;J;Oliveira, G. N. P.;Pereira, A. M.;Lopes, A. M. L.;Amaral, J. S.;dos Santos, A. M.;Ren, Y.;Mendonca, T. M.;Sousa, C. T.;Amaral, V. S.;Correia, J. G.;Araujo, J. P.;Dynamic off-centering of Cr3+ ions and short-range magneto-electric;clusters in CdCr2S4;PHYSICAL REVIEW B;86;22;224418;10.1103/PhysRevB.86.224418;DEC 26 2012;2012;The cubic spinel CdCr2S4 gained recently a vivid interest, given the;relevance of relaxor-like dielectric behavior in its paramagnetic phase.;By a singular combination of local probe techniques, namely, pair;distribution function and perturbed angular correlation, we firmly;establish that the Cr ion plays the central key role on this exotic;phenomenon, namely, through a dynamic off-centering displacement of its;coordination sphere. We further show that this off-centering of the;magnetic Cr ion gives rise to a peculiar entanglement between the polar;and magnetic degrees of freedom, stabilizing, in the paramagnetic phase,;short-range magnetic clusters, clearly seen in ultralow-field;susceptibility measurements. Moreover, the Landau theory is here used to;demonstrate that a linear coupling between the magnetic and polar order;parameters is sufficient to justify the appearance of magnetic cluster;in the paramagnetic phase of this compound. These results open insights;on the hotly debated magnetic and polar interaction, setting a step;forward in the reinterpretation of the coupling of different physical;degrees of freedom. DOI: 10.1103/PhysRevB.86.224418;Universidade Aveiro, Departamento Fisica/E-4128-2013; Amaral, Vitor/A-1570-2009; Pereira, Andre/B-4648-2008; Amaral, Joao/C-6354-2009; Lopes, Armandina/I-5066-2013; Martins Correia, Joao Guilherme/J-5473-2013; Esteves de Araujo, Joao Pedro/D-4389-2011;Amaral, Vitor/0000-0003-3359-7133; Pereira, Andre/0000-0002-8587-262X;;Amaral, Joao/0000-0003-0488-9372; Lopes, Armandina/0000-0001-8776-0894;;Martins Correia, Joao Guilherme/0000-0002-8848-0824; Esteves de Araujo,;Joao Pedro/0000-0002-1646-7727;7;1;0;0;7;1098-0121;WOS:000312831800008;;;J;Olund, Christopher T.;Zhao, Erhai;Current-phase relation for Josephson effect through helical metal;PHYSICAL REVIEW B;86;21;214515;10.1103/PhysRevB.86.214515;DEC 26 2012;2012;Josephson junctions fabricated on the surface of three-dimensional;topological insulators ( TI) show a few unusual properties distinct from;conventional Josephson junctions. In these devices, the Josephson;coupling and the supercurrent are mediated by helical metal, the;two-dimensional surface state of the TI. A line junction of this kind is;known to support Andreev bound states at zero energy for phase bias pi;and, consequently, the so-called fractional ac Josephson effect.;Motivated by recent experiments on TI-based Josephson junctions, here we;describe a convenient algorithm to compute the bound-state spectrum and;the current-phase relation for junctions of finite length and width. We;present analytical results for the bound-state spectrum, and discuss the;dependence of the current-phase relation on the length and width of the;junction, the chemical potential of the helical metal, and temperature.;A thorough understanding of the current-phase relation may help in;designing topological superconducting qubits and manipulating Majorana;fermions. DOI: 10.1103/PhysRevB.86.214515;Zhao, Erhai/B-3463-2010;Zhao, Erhai/0000-0001-8954-1601;5;0;0;0;5;1098-0121;WOS:000312830400008;;;J;Pakdel, Sahar;Miri, MirFaez;Faraday rotation and circular dichroism spectra of gold and silver;nanoparticle aggregates;PHYSICAL REVIEW B;86;23;235445;10.1103/PhysRevB.86.235445;DEC 26 2012;2012;We study the magneto-optical response of noble metal nanoparticle;clusters. We consider the interaction between the light-induced dipoles;of particles. In the presence of a magnetic field, the simplest achiral;cluster, a dimer, exhibits circular dichroism (CD). The CD of a dimer;depends on the directions of the magnetic field and the light wave;vector. The CD of a populous cluster weakly depends on the magnetic;field. Upon scattering from the cluster, an incident linearly polarized;light with polarization azimuth. becomes elliptically polarized. The;polarization azimuth rotation and ellipticity angle variation are;sinusoidal functions of 2 phi.. The anisotropy and the chirality of the;cluster control the amplitude and offset of these sinusoidal functions.;The Faraday rotation and Faraday ellipticity are also sinusoidal;functions of 2 phi. Near the surface plasmon frequency, Faraday rotation;and Faraday ellipticity increase. DOI: 10.1103/PhysRevB.86.235445;6;0;0;0;6;1098-0121;WOS:000312832600019;;;J;Pedersen, Jesper Goor;Brynildsen, Mikkel H.;Cornean, Horia D.;Pedersen, Thomas Garm;Optical Hall conductivity in bulk and nanostructured graphene beyond the;Dirac approximation;PHYSICAL REVIEW B;86;23;235438;10.1103/PhysRevB.86.235438;DEC 26 2012;2012;We present a perturbative method for calculating the optical Hall;conductivity in a tight-binding framework based on the Kubo formalism.;The method involves diagonalization only of the Hamiltonian in absence;of the magnetic field, and thus avoids the computational problems;usually arising due to the huge magnetic unit cells required to maintain;translational invariance in the presence of a Peierls phase. A recipe;for applying the method to numerical calculations of the magneto-optical;response is presented. We apply the formalism to the case of ordinary;and gapped graphene in a next-nearest-neighbor tight-binding model as;well as graphene antidot lattices. In both cases, we find unique;signatures in the Hall response that are not captured in continuum;(Dirac) approximations. These include a nonzero optical Hall;conductivity even when the chemical potential is at the Dirac point;energy. Numerical results suggest that this effect should be measurable;in experiments. DOI: 10.1103/PhysRevB.86.235438;Goor Pedersen, Jesper/C-3965-2008; Cornean, Horia/A-4064-2008;Goor Pedersen, Jesper/0000-0002-8411-240X; Cornean,;Horia/0000-0003-2700-8785;1;0;0;0;1;1098-0121;WOS:000312832600012;;;J;Rodriguez, Alejandro W.;Reid, M. T. Homer;Johnson, Steven G.;Fluctuating-surface-current formulation of radiative heat transfer for;arbitrary geometries;PHYSICAL REVIEW B;86;22;220302;10.1103/PhysRevB.86.220302;DEC 26 2012;2012;We describe a fluctuating-surface-current formulation of radiative heat;transfer, applicable to arbitrary geometries in both the near and far;field, that directly exploits efficient and sophisticated techniques;from the boundary-element method. We validate as well as extend previous;results for spheres and cylinders, and also compute the heat transfer in;a more complicated geometry consisting of two interlocked rings.;Finally, we demonstrate how this method can be adapted to compute the;spatial distribution of heat flux on the surfaces of the bodies. DOI:;10.1103/PhysRevB.86.220302;13;0;0;0;13;1098-0121;WOS:000312831800001;;;J;Saidi, Wissam A.;Lee, Minyoung;Li, Liang;Zhou, Guangwen;McGaughey, Alan J. H.;Ab initio atomistic thermodynamics study of the early stages of Cu(100);oxidation;PHYSICAL REVIEW B;86;24;245429;10.1103/PhysRevB.86.245429;DEC 26 2012;2012;Using an ab initio atomistic thermodynamics framework, we identify the;stable surface structures during the early stages of Cu(100) oxidation;at finite temperature and pressure conditions. We predict the clean;surface, the 0.25 monolayer oxygen-covered surface, and the missing-row;reconstruction as thermodynamically stable structures in range of;100-1000 K and 10(-15)-10(5) atm, consistent with previous experimental;and theoretical results. We also investigate the thermodynamic;stabilities of possible precursors to Cu2O formation including;missing-row reconstruction structures that include extra on-or;subsurface oxygen atoms as well as boundary phases formed from two;missing-row nanodomains. While these structures are not predicted to be;thermodynamically stable for oxygen chemical potentials below the;nucleation limit of Cu2O, they are likely to exist due to kinetic;hindrance. DOI: 10.1103/PhysRevB.86.245429;Li, Liang/C-5782-2012;7;0;0;0;7;1098-0121;WOS:000312833400014;;;J;Sakuma, R.;Miyake, T.;Aryasetiawan, F.;Self-energy and spectral function of Ce within the GW approximation;PHYSICAL REVIEW B;86;24;245126;10.1103/PhysRevB.86.245126;DEC 26 2012;2012;To investigate how far the GW approximation can treat systems with;strong on-site correlations, we perform calculations of the;self-energies and spectral functions of alpha-and gamma-Ce within the GW;approximation. For this strongly correlated material, the screened;interaction exhibits a complex and rich structure which is attributed to;strong particle-hole transitions involving localized 4f states. This;structure in the screened interaction is carried over to the;self-energy, which in turn yields spectral functions with multiple;peaks. A satellite at around 5 eV above the Fermi level is formed, which;is reminiscent of the experimentally observed upper Hubbard band, while;the experimentally observed peak structure below the Fermi level at -2;eV and disappearance of the quasiparticle peak in the. phase are not;reproduced. DOI: 10.1103/PhysRevB.86.245126;6;0;0;0;6;1098-0121;WOS:000312833400005;;;J;Schulze, T. P.;Smereka, P.;Kinetic Monte Carlo simulation of heteroepitaxial growth: Wetting;layers, quantum dots, capping, and nanorings;PHYSICAL REVIEW B;86;23;235313;10.1103/PhysRevB.86.235313;DEC 26 2012;2012;A new kinetic Monte Carlo algorithm that efficiently accounts for;elastic strain is presented and applied to study various phenomena that;take place during heteroepitaxial growth. For example, it is;demonstrated that faceted quantum dots occur via the layer-by-layer;nucleation of prepyramids on top of a critical layer with faceting;occurring by anisotropic surface diffusion. It is also shown that the;dot growth is enhanced by the depletion of the critical layer which;leaves behind a wetting layer. Capping simulations provide insight into;the mechanisms behind dot erosion and ring formation. The algorithm used;for the simulations presented here is based on the observation that;adatom and dimer motion is essentially decoupled from the elastic field.;This is exploited by decomposing the film into two parts: the weakly;bonded portion and the strongly bonded portion. The weakly bonded;portion is taken to evolve independent of the elastic field. In this way;the elastic field need only be updated infrequently. Extensive;validation reveals that there is little loss of fidelity but the;algorithm is fifteen to twenty times faster. DOI:;10.1103/PhysRevB.86.235313;Smereka, Peter/F-9974-2013;7;0;0;0;7;1098-0121;WOS:000312832600009;;;J;Shukla, D. K.;Francoual, S.;Skaugen, A.;von Zimmermann, M.;Walker, H. C.;Bezmaternykh, L. N.;Gudim, I. A.;Temerov, V. L.;Strempfer, J.;Ho and Fe magnetic ordering in multiferroic HoFe3(BO3)(4);PHYSICAL REVIEW B;86;22;224421;10.1103/PhysRevB.86.224421;DEC 26 2012;2012;Resonant and nonresonant x-ray scattering studies on HoFe3(BO3)(4);reveal competing magnetic ordering of Ho and Fe moments. Temperature and;x-ray polarization dependent measurements employed at the Ho L-3 edge;directly reveal a spiral spin order of the induced Ho moments in the ab;plane propagating along the c axis, a screw-type magnetic structure. At;about 22.5 K the Fe spins are observed to rotate within the basal plane;inducing spontaneous electric polarization, P. Components of P in the;basal plane and along the c axis can be scaled with the separated;magnetic x-ray scattering intensities of the Fe and Ho magnetic;sublattices, respectively. DOI: 10.1103/PhysRevB.86.224421;Walker, Helen/C-4201-2011; Shukla, Dinesh /D-2232-2012;Walker, Helen/0000-0002-7859-5388;;1;0;0;0;1;1098-0121;WOS:000312831800011;;;J;Smolenski, T.;Kazimierczuk, T.;Goryca, M.;Jakubczyk, T.;Klopotowski, L.;Cywinski, L.;Wojnar, P.;Golnik, A.;Kossacki, P.;In-plane radiative recombination channel of a dark exciton in;self-assembled quantum dots;PHYSICAL REVIEW B;86;24;241305;10.1103/PhysRevB.86.241305;DEC 26 2012;2012;We demonstrate evidence for a radiative recombination channel of dark;excitons in self-assembled quantum dots. This channel is due to a light;hole admixture in the excitonic ground state. Its presence was;experimentally confirmed by a direct observation of the dark exciton;photoluminescence from a cleaved edge of the sample. The;polarization-resolved measurements revealed that a photon created from;the dark exciton recombination is emitted only in the direction;perpendicular to the growth axis. Strong correlation between the dark;exciton lifetime and the in-plane hole g factor enabled us to show that;the radiative recombination is a dominant decay channel of the dark;excitons in CdTe/ZnTe quantum dots. DOI: 10.1103/PhysRevB.86.241305;Cywinski, Lukasz/E-5348-2010;8;0;0;0;8;1098-0121;WOS:000312833400004;;;J;Tahara, H.;Bamba, M.;Ogawa, Y.;Minami, F.;Observation of a dynamical mixing process of exciton-polaritons in a;ZnSe epitaxial layer using four-wave mixing spectroscopy;PHYSICAL REVIEW B;86;23;235208;10.1103/PhysRevB.86.235208;DEC 26 2012;2012;We have observed a coherent spectral change of exciton-polaritons in a;ZnSe epitaxial layer through spectrally resolved four-wave mixing;spectroscopy. The spectra exhibit an exchange of the dominant peak;position between the different polariton branches depending on the delay;time of the second pulse. This result reflects the initial creation;process of polaritons with many-body interactions. The calculation based;on the exciton-photon microscopic model reveals that the spectral change;occurs due to the four-particle correlations between heavy-hole and;light-hole excitons; it clearly shows the dynamical mixing process of;exciton-polaritons in the initial creation. DOI:;10.1103/PhysRevB.86.235208;1;0;0;0;1;1098-0121;WOS:000312832600008;;;J;Tomio, Yuh;Suzuura, Hidekatsu;Ando, Tsuneya;Cross-polarized excitons in double-wall carbon nanotubes;PHYSICAL REVIEW B;86;24;245428;10.1103/PhysRevB.86.245428;DEC 26 2012;2012;Optical absorption in double-wall carbon nanotubes for light polarized;perpendicular to the tube axis is studied by taking into account exciton;effects and depolarization effects within an effective-mass theory. The;Coulomb interaction is suppressed by not only intrawall screening;effects but also interwall screening, leading to the reduction of;exciton binding energies and band gaps. When two tubes are both;semiconducting, a clear exciton peak still survives even under;depolarization effects for the outer tube, but the exciton peak of the;inner tube has an asymmetric Fano line shape due to the coupling with;continuum states of the outer tube. When a double-wall nanotube contains;a metallic tube, either inner or outer, the exciton of the;semiconducting tube loses its peak structure under depolarization;effects. DOI: 10.1103/PhysRevB.86.245428;SUZUURA, Hidekatsu/F-7605-2012;0;0;0;0;0;1098-0121;WOS:000312833400013;;;J;Tsvelik, A. M.;Model description of the supersolid state in YBa2Cu3O6+x;PHYSICAL REVIEW B;86;22;220508;10.1103/PhysRevB.86.220508;DEC 26 2012;2012;I employ a semiphenomenological model introduced by Tsvelik and Chubukov;[Phys. Rev. Lett. 98, 237001 (2007)] to describe the state with;coexisting superconductivity (SC) and charge density wave (CDW) recently;discovered in YBa2Cu3O6+x (YBCO). The SC and the CDW order parameter;fields are united in a single pseudospin and can be rotated into each;other. It is suggested that disorder creates isolated pseudospins which;become centers of inelastic scattering of electrons. It is suggested;that this scattering is responsible for the logarithmic upturn in the;resistivity rho(T) similar to - ln T observed at low doping. DOI:;10.1103/PhysRevB.86.220508;0;0;0;0;0;1098-0121;WOS:000312831800003;;;J;Uebelacker, Stefan;Honerkamp, Carsten;Self-energy feedback and frequency-dependent interactions in the;functional renormalization group flow for the two-dimensional Hubbard;model;PHYSICAL REVIEW B;86;23;235140;10.1103/PhysRevB.86.235140;DEC 26 2012;2012;We study the impact of including self-energy feedback and;frequency-dependent interactions on functional renormalization group;flows for the two-dimensional Hubbard model on the square lattice at;weak to moderate coupling strength. Previous studies using the;functional renormalization group had ignored these two ingredients to a;large extent, and the question is how much the flows to strong coupling;analyzed by this method depend on these approximations. Here we include;the imaginary part of the self-energy on the imaginary axis and the;frequency dependence of the running interactions on a frequency mesh of;10 frequencies on the Matsubara axis. We find that (i) the critical;scales for the flows to strong coupling are shifted downward by a factor;that is usually of order 1 but can get larger in specific parameter;regions, and (ii) that the leading channel in this flow does not depend;strongly on whether self-energies and frequency dependence is included;or not. We also discuss the main features of the self-energies;developing during the flows. DOI: 10.1103/PhysRevB.86.235140;5;0;0;0;5;1098-0121;WOS:000312832600002;;;J;Velizhanin, Kirill A.;Shahbazyan, Tigran V.;Long-range plasmon-assisted energy transfer over doped graphene;PHYSICAL REVIEW B;86;24;245432;10.1103/PhysRevB.86.245432;DEC 26 2012;2012;We demonstrate that longitudinal plasmons in doped monolayer graphene;can mediate highly efficient long-range energy transfer between nearby;fluorophores, e.g., semiconductor quantum dots. We derive a simple;analytical expression for the energy transfer efficiency that;incorporates all the essential processes involved. We perform numerical;calculations of the transfer efficiency for a pair of PbSe quantum dots;near graphene for interfluorophore distances of up to 1 mu m and find;that the plasmon-assisted long-range energy transfer can be enhanced by;up to a factor of similar to 10(4) relative to the Forster's transfer in;vacuum.;Velizhanin, Kirill/C-4835-2008;3;0;0;0;3;1098-0121;WOS:000312833400017;;;J;Vivo, Edoardo;Nicoli, Matteo;Engler, Martin;Michely, Thomas;Vazquez, Luis;Cuerno, Rodolfo;Strong anisotropy in surface kinetic roughening: Analysis and;experiments;PHYSICAL REVIEW B;86;24;245427;10.1103/PhysRevB.86.245427;DEC 26 2012;2012;We report an experimental assessment of surface kinetic roughening;properties that are anisotropic in space. Working for two specific;instances of silicon surfaces irradiated by ion-beam sputtering under;diverse conditions (with and without concurrent metallic impurity;codeposition), we verify the predictions and consistency of a recently;proposed scaling Ansatz for surface observables like the two-dimensional;(2D) height power spectral density (PSD). In contrast with other;formulations, this ansatz is naturally tailored to the study of;two-dimensional surfaces, and allows us to readily explore the;implications of anisotropic scaling for other observables, such as;real-space correlation functions and PSD functions for 1D profiles of;the surface. Our results confirm that there are indeed actual;experimental systems whose kinetic roughening is strongly anisotropic,;as consistently described by this scaling analysis. In the light of our;work, some types of experimental measurements are seen to be more;affected by issues like finite space resolution effects, etc. that may;hinder a clear-cut assessment of strongly anisotropic scaling in the;present and other practical contexts. DOI: 10.1103/PhysRevB.86.245427;VAZQUEZ, LUIS/A-1272-2009;VAZQUEZ, LUIS/0000-0001-6220-2810;2;0;0;0;2;1098-0121;WOS:000312833400012;;;J;Weiler, S.;Ulhaq, A.;Ulrich, S. M.;Richter, D.;Jetter, M.;Michler, P.;Roy, C.;Hughes, S.;Phonon-assisted incoherent excitation of a quantum dot and its emission;properties;PHYSICAL REVIEW B;86;24;241304;10.1103/PhysRevB.86.241304;DEC 26 2012;2012;We present a detailed study of a phonon-assisted incoherent excitation;mechanism of single quantum dots. A spectrally detuned continuous-wave;laser couples to a quantum dot transition by mediation of acoustic;phonons, whereby excitation efficiencies up to 20% with respect to;strictly resonant excitation can be achieved at T = 9 K.;Laser-frequency-dependent analysis of the quantum dot intensity;distinctly maps the underlying acoustic phonon bath and shows good;agreement with our polaron master equation theory. An analytical;solution for the steady-state exciton density (which is proportional to;the photoluminescence) is introduced which predicts a broadband;incoherent coupling process mediated by electron-phonon scattering.;Moreover, we investigate the coherence properties of the emitted light;with respect to strictly resonant versus phonon-assisted excitation,;revealing the importance of narrow band triggered emitter-state;initialization for possible applications of a quantum dot exciton system;as a qubit. DOI: 10.1103/PhysRevB.86.241304;Jetter, Michael/I-8270-2012;8;0;0;0;8;1098-0121;WOS:000312833400003;;;J;Zhang, L.;Schwertfager, N.;Cheiwchanchamnangij, T.;Lin, X.;Glans-Suzuki, P. -A.;Piper, L. F. J.;Limpijumnong, S.;Luo, Y.;Zhu, J. F.;Lambrecht, W. R. L.;Guo, J. -H.;Electronic band structure of graphene from resonant soft x-ray;spectroscopy: The role of core-hole effects;PHYSICAL REVIEW B;86;24;245430;10.1103/PhysRevB.86.245430;DEC 26 2012;2012;The electronic structure and band dispersion of graphene on SiO2 have;been studied by x-ray-absorption spectroscopy (XAS), x-ray-emission;spectroscopy (XES), and resonant inelastic x-ray scattering (RIXS).;Using first-principles calculations, it is found that the core-hole;effect is dramatic in XAS while it has negligible consequences in XES.;Strong dispersive features, due to the conservation of crystal momentum,;are observed in RIXS spectra. Simulated RIXS spectra based on the;Kramers-Heisenberg theory agree well with the experimental results,;provided a shift between RIXS and XAS due to the absence or presence of;the core hole is taken into account. DOI: 10.1103/PhysRevB.86.245430;Luo, Yi/B-1449-2009; Zhu, Junfa/E-4020-2010;Luo, Yi/0000-0003-0007-0394; Zhu, Junfa/0000-0003-0888-4261;10;1;0;0;10;1098-0121;WOS:000312833400015;;;J;Zhang, Steven S. -L.;Zhang, Shufeng;Spin convertance at magnetic interfaces;PHYSICAL REVIEW B;86;21;214424;10.1103/PhysRevB.86.214424;DEC 26 2012;2012;Exchange interaction between conduction electrons and magnetic moments;at magnetic interfaces leads to mutual conversion between spin current;and magnon current. We introduce a concept of spin convertance which;quantitatively measures magnon current induced by spin accumulation and;spin current created by magnon accumulation at a magnetic interface. We;predict several phenomena on charge and spin drag across a magnetic;insulator spacer for a few layered structures. DOI:;10.1103/PhysRevB.86.214424;Zhang, Shufeng/G-7833-2011;10;1;0;0;10;1098-0121;WOS:000312830400003;;;J;Nakhmedov, Enver;Alekperov, Oktay;Oppermann, Reinhold;Effects of randomness on the critical temperature in;quasi-two-dimensional organic superconductors;PHYSICAL REVIEW B;86;21;214513;10.1103/PhysRevB.86.214513;DEC 21 2012;2012;The effects of nonmagnetic disorder on the critical temperature T-c of;organic weak-linked layered superconductors with singlet in-plane;pairing are considered. A randomness in the interlayer Josephson;coupling is shown to destroy phase coherence between the layers, and T-c;suppresses smoothly in a large extent of the disorder strength.;Nevertheless, the disorder of arbitrarily high strength cannot destroy;completely the superconducting phase. The obtained quasilinear decrease;of the critical temperature with increasing disorder strength is in good;agreement with experimental measurements. DOI:;10.1103/PhysRevB.86.214513;0;0;0;0;0;1098-0121;WOS:000312693200004;;;J;Sanson, Andrea;Giarola, Marco;Rossi, Barbara;Mariotto, Gino;Cazzanelli, Enzo;Speghini, Adolfo;Vibrational dynamics of single-crystal YVO4 studied by polarized;micro-Raman spectroscopy and ab initio calculations;PHYSICAL REVIEW B;86;21;214305;10.1103/PhysRevB.86.214305;DEC 21 2012;2012;The vibrational properties of yttrium orthovanadate (YVO4) single;crystals, with tetragonal zircon structure, have been investigated by;means of polarized micro-Raman spectroscopy and ab initio calculations.;Raman spectra were taken at different polarizations and orientations;carefully set by the use of a micromanipulator, so that all of the;twelve Raman-active modes, expected on the basis of the group theory,;were selected in turn and definitively assigned in wave number and;symmetry. In particular the E-g(4) mode, assigned incorrectly in;previous literature, has been observed at 387 cm(-1). Moreover, the very;weak E-g(1) mode, peaked at about 137 cm(-1), was clearly observed only;under some excitation wavelengths, and its peculiar Raman excitation;profile was measured within a wide region of the visible. Finally, ab;initio calculations based on density-functional theory have been;performed in order to determine both Raman and infrared vibrational;modes and to corroborate the experimental results. The rather good;agreement between computational and experimental frequencies is slightly;better than in previous computational works and supports our;experimental symmetry assignments. DOI: 10.1103/PhysRevB.86.214305;Mariotto, Gino/B-1629-2013; Speghini, Adolfo/G-3474-2012;1;0;0;0;1;1098-0121;WOS:000312693200002;;;J;Thomson, R. I.;Jain, P.;Cheetham, A. K.;Carpenter, M. A.;Elastic relaxation behavior, magnetoelastic coupling, and order-disorder;processes in multiferroic metal-organic frameworks;PHYSICAL REVIEW B;86;21;214304;10.1103/PhysRevB.86.214304;DEC 21 2012;2012;Resonant ultrasound spectroscopy has been used to analyze magnetic and;ferroelectric phase transitions in two multiferroic metal-organic;frameworks (MOFs) with perovskite-like structures;[(CH3)(2)NH2]M(HCOO)(3)(DMA[M] F, M = Co, Mn). Elastic and anelastic;anomalies are evident at both the magnetic ordering temperature and;above the higher temperature ferroelectric transition. Broadening of;peaks above the ferroelectric transition implies the diminishing;presence of a dynamic process and is caused by an ordering of the;central DMA ([(CH3)(2)NH2](+)) cation which ultimately causes a change;in the hydrogen bond conformation and provides the driving mechanism for;ferroelectricity. This is unlike traditional mechanisms for;ferroelectricity in perovskites which typically involve ionic;displacements. A comparison of these mechanisms is made by drawing on;examples from the literature. Small elastic stiffening at low;temperatures suggests weak magnetoelastic coupling in these materials.;This behavior is consistent with other magnetic systems studied,;although there is no change in Q(-1) associated with magnetic;order-disorder, and is the first evidence of magnetoelastic coupling in;MOFs. This could help lead to the tailoring of MOFs with a larger;coupling leading to magnetoelectric coupling via a common strain;mechanism. DOI: 10.1103/PhysRevB.86.214304;Jain, Prashant/C-8135-2009;15;4;0;0;15;1098-0121;WOS:000312693200001;;;J;Yin, Junqi;Eisenbach, Markus;Nicholson, Don M.;Rusanu, Aurelian;Effect of lattice vibrations on magnetic phase transition in bcc iron;PHYSICAL REVIEW B;86;21;214423;10.1103/PhysRevB.86.214423;DEC 21 2012;2012;The most widely taught example of a magnetic transition is that of Fe at;1043 K. Despite the high temperature most discussions of this transition;focus on the magnetic states of a fixed spin lattice with lattice;vibrations analyzed separately and simply added. We propose a model of;alpha iron that fully couples spin and displacement degrees of freedom.;Results demonstrate a significant departure from models that treat these;coordinates independently. The success of the model rests on a first;principles calculation of changes in energy with respect to spin;configurations on a bcc-iron lattice with displacements. Complete;details of environment-dependent exchange interactions that augment the;Finnis-Sinclair potential are given and comparisons to measurements are;made. We find that coupling has no effect on critical exponents, a small;effect on the transition temperature, T-c, and a large effect on the;entropy of transformation. DOI: 10.1103/PhysRevB.86.214423;Ni, Daye/F-6920-2014;5;0;0;0;5;1098-0121;WOS:000312693200003;;;J;Butler, Keith T.;Harding, John H.;Atomistic simulation of doping effects on growth and charge transport in;Si/Ag interfaces in high-performance solar cells;PHYSICAL REVIEW B;86;24;245319;10.1103/PhysRevB.86.245319;DEC 21 2012;2012;We present the results of a first-principles atomistic simulation study;of the effects of phosphorus doping on the silver/silicon interface as;found in high-performance solar cells. Calculating the interfacial;stabilities of the (110)/(110) and (111)/(111) interfaces we demonstrate;how the presence of phosphorus increases the nucleation rate of silver;crystallites and how the relative stabilities of the interfaces depend;on the doping. We then calculate the electronic structure of the;interfaces, demonstrating how the presence of phosphorus leads to a;buildup of positive charge in the silicon and an opposite negative;charge in the silver. Finally we show how this charge buildup;significantly affects the n-type Schottky barriers at the interfaces, in;both cases lowering the Schottky barrier by more than 100 meV. DOI:;10.1103/PhysRevB.86.245319;4;0;0;0;4;1098-0121;WOS:000312697500004;;;J;Carbotte, J. P.;Schachinger, E.;c-axis optical sum in underdoped superconducting cuprates;PHYSICAL REVIEW B;86;22;224512;10.1103/PhysRevB.86.224512;DEC 21 2012;2012;In conventional metals, the total optical spectral weight under the real;part of the dynamical conductivity remains unchanged in going from;normal to superconducting state. In the underdoped cuprates, however,;experiments found that the interlayer conductivity no longer respects;this sum rule. Here, we find that a recently proposed phenomenological;model of the pseudogap state which is based on ideas of a resonating;valence bond spin liquid naturally leads to such a sum-rule violation.;For the interplane charge transfer, a coherent tunneling model is used.;We also obtain analytic results based on a simplification of the theory;which reduces it to an arc model. This provides further insight into the;effect of the opening of a pseudogap on the c-axis optical conductivity;Re[sigma(c)(omega)]. The missing area under Re[sigma(c)(omega)];normalized to the superfluid density, which is found to be one in the;Fermi-liquid limit with no pseudogap, is considerably reduced when the;pseudogap becomes large and the size of the Luttinger pockets or arcs is;small.;2;0;0;0;2;1098-0121;WOS:000312693900004;;;J;Das Sarma, S.;Sau, Jay D.;Stanescu, Tudor D.;Splitting of the zero-bias conductance peak as smoking gun evidence for;the existence of the Majorana mode in a superconductor-semiconductor;nanowire;PHYSICAL REVIEW B;86;22;220506;10.1103/PhysRevB.86.220506;DEC 21 2012;2012;Recent observations of a zero-bias conductance peak in tunneling;transport measurements in superconductor-semiconductor nanowire devices;provide evidence for the predicted zero-energy Majorana modes, but not;the conclusive proof of their existence. We establish that direct;observation of a splitting of the zero-bias conductance peak can serve;as the smoking gun evidence for the existence of the Majorana mode. We;show that the splitting has an oscillatory dependence on the Zeeman;field (chemical potential) at fixed chemical potential (Zeeman field).;By contrast, when the density is constant rather than the chemical;potential-the likely situation in the current experimental setups-the;splitting oscillations are generically suppressed. Our theory predicts;the conditions under which the splitting oscillations can serve as the;smoking gun for the experimental confirmation of the elusive Majorana;mode.;Das Sarma, Sankar/B-2400-2009;23;0;0;0;23;1098-0121;WOS:000312693900001;;;J;Durach, Maxim;Rusina, Anastasia;Transforming Fabry-Perot resonances into a Tamm mode;PHYSICAL REVIEW B;86;23;235312;10.1103/PhysRevB.86.235312;DEC 21 2012;2012;We propose an optical structure composed of two metal nanolayers;enclosing a distributed Bragg reflector (DBR) mirror. The structure is;an open photonic system whose bound modes are coupled to external;radiation. We apply the special theoretical treatment based on inversion;symmetry of the structure to classify its resonances. We show that the;structure supports resonances transitional between Fabry-Perot modes and;Tamm plasmons. When the dielectric contrast of the DBR is removed these;modes are a pair of conventional Fabry-Perot resonances. They spectrally;merge into a Tamm mode at high contrast. The optical properties of the;structure in the frequency range of the DBR stop band, including highly;beneficial 50% transmittivity through thick structures with;sub-skin-depth metal films, are determined by the hybrid quasinormal;modes of the open nonconservative structure under consideration. The;results can find a broad range of applications in photonics and;optoelectronics, including the possibility of coherent control over;optical fields in the class of structures similar to the one proposed;here. DOI: 10.1103/PhysRevB.86.235312;3;0;1;0;4;1098-0121;WOS:000312694800003;;;J;Gumeniuk, Roman;Sarkar, Rajib;Geibel, Christoph;Schnelle, Walter;Paulmann, Carsten;Baenitz, Michael;Tsirlin, Alexander A.;Guritanu, Violeta;Sichelschmidt, Joerg;Grin, Yuri;Leithe-Jasper, Andreas;YbPtGe2: A multivalent charge-ordered system with an unusual spin;pseudogap;PHYSICAL REVIEW B;86;23;235138;10.1103/PhysRevB.86.235138;DEC 21 2012;2012;We performed a study of the structural and physical properties of;YbPtGe2. This compound is a multivalent charge-ordered system presenting;an unusual spin pseudogap below 200 K. The crystal structure of YbPtGe2;is refined from single-crystal and powder high-resolution synchrotron;x-ray diffraction data at different temperatures. Analysis of the;structural features of YbPtGe2, together with a combined study of Yb;L-III x-ray absorption spectroscopy, magnetic susceptibility chi(T),;thermopower S(T), and Yb-171 and Pt-195 NMR indicate half of the Yb;atoms to be in an intermediate valence state with an electronic;configuration close to 4f(13) (Yb3+), while for the remaining Yb atoms;the 4f(14) (Yb2+) configuration with almost no valence fluctuations is;most likely. A drastic drop of the magnetic susceptibility and a;decrease of the isotropic shift K-195(iso)(T) with decreasing;temperature in the temperature range of 50-200 K evidence the opening of;a spin pseudogap with an activation energy of Delta/k(B) similar to 200;K. Surprisingly, transport properties do not show clear evidence for the;opening of a charge gap, thus excluding a standard Kondo-insulator;scenario. Possible origins for this unusual electronic (valence);behavior are discussed. DOI: 10.1103/PhysRevB.86.235138;Sichelschmidt, Joerg/A-6005-2013; Sarkar, Rajib/G-9738-2011; Tsirlin, Alexander/D-6648-2013;3;1;0;0;3;1098-0121;WOS:000312694800002;;;J;Ivek, T.;Kovacevic, I.;Pinteric, M.;Korin-Hamzic, B.;Tomic, S.;Knoblauch, T.;Schweitzer, D.;Dressel, M.;Cooperative dynamics in charge-ordered state of alpha-(BEDT-TTF)(2)I-3;PHYSICAL REVIEW B;86;24;245125;10.1103/PhysRevB.86.245125;DEC 21 2012;2012;Electric-field-dependent pulse measurements are reported in the;charge-ordered state of alpha-(BEDT-TTF)(2)I-3. At low electric fields;up to about 50 V/cm only negligible deviations from Ohmic behavior can;be identified with no threshold field. At larger electric fields and up;to about 100 V/cm a reproducible negative differential resistance is;observed with a significant change in shape of the measured resistivity;in time. These changes critically depend on whether constant voltage or;constant current is applied to the single crystal. At high enough;electric fields the resistance displays a dramatic drop down to metallic;values and relaxes subsequently in a single-exponential manner to its;low-field steady-state value. We argue that such an;electric-field-induced negative differential resistance and switching to;transient states are fingerprints of cooperative domain-wall dynamics;inherent to two-dimensional bond-charge density waves with;ferroelectric-like nature. DOI: 10.1103/PhysRevB.86.245125;Dressel, Martin/D-3244-2012; Ivek, Tomislav/D-5298-2011; Tomic, Silvia/D-5466-2011;3;0;0;0;3;1098-0121;WOS:000312697500002;;;J;Katanin, A.;Longitudinal and transverse static spin fluctuations in layered;ferromagnets and antiferromagnets;PHYSICAL REVIEW B;86;22;224416;10.1103/PhysRevB.86.224416;DEC 21 2012;2012;We analyze the momentum dependence of static susceptibilities of layered;local-moment systems below Curie (Neel) temperature within the 1/S;expansion, the renormalization-group (RG) approach, and the first order;of the 1/N expansion. We argue that already at sufficiently low;temperatures the previously known results of the spin-wave theory and RG;approach for the transverse spin susceptibility acquire strong;corrections, which appear due to the interaction of the incoming magnon;having momentum q with virtual magnons having momenta k < q. Such;corrections cannot be treated in the standard RG approach but can be;described by both 1/S and 1/N expansions. The results of these;expansions can be successfully extrapolated to T = T-M, yielding the;correct weight of static spin fluctuations, determined by the O(3);symmetry. For the longitudinal susceptibility, the summation of leading;terms of the 1/S expansion within the parquet approach allows us to;fulfill the sum rule for the weights of transverse and longitudinal;fluctuations in a broad temperature region below T-M outside the;critical regime. We also discuss the effect of longitudinal spin;fluctuations on the (sublattice) magnetization of layered systems.;Katanin, Andrey/J-4706-2013;Katanin, Andrey/0000-0003-1574-657X;0;0;0;0;0;1098-0121;WOS:000312693900002;;;J;Liu, Jingbo;Mendis, Rajind;Mittleman, Daniel M.;Designer reflectors using spoof surface plasmons in the terahertz range;PHYSICAL REVIEW B;86;24;241405;10.1103/PhysRevB.86.241405;DEC 21 2012;2012;We show that spoof surface plasmons can be used to control the;reflection of terahertz radiation at the output facet of a;parallel-plate waveguide. Using a periodic groove pattern on the output;face, reflectivity approaching 100% can be achieved within a limited;spectral range. Unlike the conventional geometry for plasmon-enhanced;transmission, this approach enables a unique method for studying the;coupling between the guided mode and the surface plasmon through;angle-dependent measurement of the plasmon-mediated reflection. A simple;model incorporating the surface plasmon coupling to the waveguide mode;can adequately explain all of the observed phenomena, including the;observed Goos-Hanchen shift in the reflected beam. DOI:;10.1103/PhysRevB.86.241405;2;0;0;0;2;1098-0121;WOS:000312697500001;;;J;Sato, Toshihiro;Hattori, Kazumasa;Tsunetsugu, Hirokazu;Transport criticality at the Mott transition in a triangular-lattice;Hubbard model;PHYSICAL REVIEW B;86;23;235137;10.1103/PhysRevB.86.235137;DEC 21 2012;2012;We study electric transport near the Mott metal-insulator transition in;a triangular-lattice Hubbard model at half filling. We calculate optical;conductivity sigma(omega) based on a cellular dynamical mean-field;theory including vertex corrections inside the cluster. Near the Mott;critical end point, a Drude analysis in the metallic region suggests;that the change in the Drude weight is important rather than that in the;transport scattering rate for the Mott transition. In the insulating;region, there emerges an "in-gap" peak in sigma(omega) at low omega near;the Mott transition, and this smoothly connects to the Drude peak in the;metallic region with decreasing Coulomb repulsion. We find that the;weight of these peaks exhibits a power-law behavior upon controlling;Coulomb repulsion at the critical temperature. The obtained critical;exponent suggests that conductivity does not correspond to magnetization;or energy density of the Ising universality class in contrast to several;previous works. DOI: 10.1103/PhysRevB.86.235137;Hattori, Kazumasa/B-2554-2013;1;0;0;0;1;1098-0121;WOS:000312694800001;;;J;Schaffer, Robert;Bhattacharjee, Subhro;Kim, Yong Baek;Quantum phase transition in Heisenberg-Kitaev model;PHYSICAL REVIEW B;86;22;224417;10.1103/PhysRevB.86.224417;DEC 21 2012;2012;We explore the nature of the quantum phase transition between a;magnetically ordered state with collinear spin pattern and a gapless;Z(2) spin liquid in the Heisenberg-Kitaev model. We construct a slave;particle mean-field theory for the Heisenberg-Kitaev model in terms of;complex fermionic spinons. It is shown that this theory, formulated in;the appropriate basis, is capable of describing the Kitaev spin liquid;as well as the transition between the gapless Z(2) spin liquid and the;so-called stripy antiferromagnet. Within our mean-field theory, we find;a discontinuous transition from the Z(2) spin liquid to the stripy;antiferromagnet. We argue that subtle spinon confinement effects,;associated with the instability of gapped U(1) spin liquid in two;spatial dimensions, play an important role at this transition. The;possibility of an exotic continuous transition is briefly addressed.;13;0;0;0;13;1098-0121;WOS:000312693900003;;;J;Schaich, W. L.;Puscasu, Irina;Tuning infrared emission from microstrip arrays;PHYSICAL REVIEW B;86;24;245423;10.1103/PhysRevB.86.245423;DEC 21 2012;2012;Earlier work has shown that a narrow-frequency-band, wide-angle emission;is produced by an array of metal patches supported on a thin dielectric;layer covering a ground plane. The modes responsible for this emission;are local plasmons trapped under the metal patches. As the dielectric;layer thickness, h(d), is increased, the resonant emission fades in;strength because the plasmon modes can no longer be trapped under a;single patch. Further increases in h(d), making it comparable to the;light wavelength in the dielectric layer, lead to a collection of new;emission peaks. These are narrower than the one peak found for small;h(d) but they are not well separated. We have found that some of these;peaks can be suppressed over a narrow range of h(d). This leaves one;with well-separated, narrow-band emission peaks. We have identified the;physical mechanism for this selective suppression of emission peaks.;DOI: 10.1103/PhysRevB.86.245423;0;0;0;0;0;1098-0121;WOS:000312697500005;;;J;Teperik, T. V.;Degiron, A.;Design strategies to tailor the narrow plasmon-photonic resonances in;arrays of metallic nanoparticles;PHYSICAL REVIEW B;86;24;245425;10.1103/PhysRevB.86.245425;DEC 21 2012;2012;Arrays of metallic nanoparticles can support mixed plasmon-photonic;resonances known as lattice surface modes. Their properties are well;known, but a general strategy to control their properties is still;lacking. In this article, we offer a perspective on the formation of;these modes and show that their excitation depends on constructive and;destructive interferences between the excitation field and the light;scattered by the resonant nanoparticles. It is therefore possible to;design the response of the system through a careful choice of the;excitation conditions and/or by tuning the polarizability of the;particles forming the periodic arrays. DOI: 10.1103/PhysRevB.86.245425;10;0;0;0;10;1098-0121;WOS:000312697500007;;;J;Thakurathi, Manisha;Sen, Diptiman;Dutta, Amit;Fidelity susceptibility of one-dimensional models with twisted boundary;conditions;PHYSICAL REVIEW B;86;24;245424;10.1103/PhysRevB.86.245424;DEC 21 2012;2012;Recently it has been shown that the fidelity of the ground state of a;quantum many-body system can be used todetect its quantum critical;points (QCPs). If g denotes the parameter in the Hamiltonian with;respect to which the fidelity is computed, we find that for;one-dimensional models with large but finite size, the fidelity;susceptibility chi(F) can detect a QCP provided that the correlation;length exponent satisfies nu < 2. We then show that chi(F) can be used;to locate a QCP even if nu >= 2 if we introduce boundary conditions;labeled by a twist angle N theta, where N is the system size. If the QCP;lies at g = 0, we find that if N is kept constant, chi(F) has a scaling;form given by chi(F) similar to theta(-2/nu) f (g/theta(1/nu)) if theta;<< 2 pi/N. We illustrate this both in a tight-binding model of fermions;with a spatially varying chemical potential with amplitude h and period;2q in which nu = q, and in a XY spin-1/2 chain in which nu = 2. Finally;we show that when q is very large, the model has two additional QCPs at;h = +/- 2 which cannot be detected by studying the energy spectrum but;are clearly detected by chi(F). The peak value and width of chi(F) seem;to scale as nontrivial powers of q at these QCPs. We argue that these;QCPs mark a transition between extended and localized states at the;Fermi energy. DOI: 10.1103/PhysRevB.86.245424;3;0;0;0;3;1098-0121;WOS:000312697500006;;;J;Thalmeier, Peter;Akbari, Alireza;Inelastic magnetic scattering effect on local density of states of;topological insulators;PHYSICAL REVIEW B;86;24;245426;10.1103/PhysRevB.86.245426;DEC 21 2012;2012;Magnetic ions such as Fe, Mn, and Co with localized spins may be;adsorbed on the surface of topological insulators such as Bi2Se3. They;form scattering centers for the helical surface states which have a;Dirac cone dispersion as long as the local spins are disordered.;However, the local density of states (LDOS) may be severely modified by;the formation of bound states. Commonly, only elastic scattering due to;normal and exchange potentials of the adatom is assumed. Magnetization;measurements show, however, that considerable magnetic single-ion;anisotropies exist which lead to a splitting of the local impurity spin;states, resulting in a singlet ground state. Therefore inelastic;scattering processes of helical Dirac electrons become possible, as;described by a dynamical local self-energy of second order in the;exchange interaction. The self energy influences bound-state formation;and leads to significant new anomalies in the LDOS at low energies and;low temperatures, which we calculate within the T-matrix approach. We;propose that they may be used for spectroscopy of local impurity spin;states by appropriate tuning of the chemical potential and magnetic;field. DOI: 10.1103/PhysRevB.86.245426;Akbari, Alireza/A-3738-2012;0;0;0;0;0;1098-0121;WOS:000312697500008;;;J;Ungier, W.;Wilamowski, Z.;Jantsch, W.;Spin-orbit force due to Rashba coupling at the spin resonance condition;PHYSICAL REVIEW B;86;24;245318;10.1103/PhysRevB.86.245318;DEC 21 2012;2012;We analyze the effect of Rashba type of spin-orbit (SO) coupling on the;electron dynamics and the rf electrical conductivity. We show that in;addition to the momentum current an additional SO current occurs which;can be attributed to a SO contribution to the electric Lorentz force.;This Rashba SO force is proportional to the time derivative of the;electron magnetization. Therefore, in a static electromagnetic field SO;interaction does not affect the electric or the spin current. Applying;an rf electric current, however, an rf magnetization can be efficiently;induced via the rf Rashba field. Thus, at the Larmor frequency a;characteristic current induced electron spin resonance occurs. There the;absorbed electric power is efficiently converted into magnetic energy.;DOI: 10.1103/PhysRevB.86.245318;1;0;0;0;1;1098-0121;WOS:000312697500003;;;J;Chen, Xie;Wen, Xiao-Gang;Chiral symmetry on the edge of two-dimensional symmetry protected;topological phases;PHYSICAL REVIEW B;86;23;235135;10.1103/PhysRevB.86.235135;DEC 20 2012;2012;Symmetry protected topological (SPT) states are short-range entangled;states with symmetry. The boundary of a SPT phases has either gapless;excitations or degenerate ground states, around a gapped bulk. Recently,;we proposed a systematic construction of SPT phases in interacting;bosonic systems, however it is not very clear what is the form of the;low-energy excitations on the gapless edge. In this paper, we answer;this question for two-dimensional (2D) bosonic SPT phases with Z(N) and;U(1) symmetry. We find that while the low-energy modes of the gapless;edges are nonchiral, symmetry acts on them in a "chiral" way, i.e., acts;on the right movers and the left movers differently. This special;realization of symmetry protects the gaplessness of the otherwise;unstable edge states by prohibiting a direct scattering between the left;and right movers. Moreover, understanding of the low-energy effective;theory leads to experimental predictions about the SPT phases. In;particular, we find that all the 2D U(1) SPT phases have even integer;quantized Hall conductance. DOI: 10.1103/PhysRevB.86.235135;12;1;1;0;12;1098-0121;WOS:000312694400001;;;J;Croy, Alexander;Midtvedt, Daniel;Isacsson, Andreas;Kinaret, Jari M.;Nonlinear damping in graphene resonators;PHYSICAL REVIEW B;86;23;235435;10.1103/PhysRevB.86.235435;DEC 20 2012;2012;Based on a continuum mechanical model for single-layer graphene, we;propose and analyze a microscopic mechanism for dissipation in;nanoelectromechanical graphene resonators. We find that coupling between;flexural modes and in-plane phonons leads to linear and nonlinear;damping of out-of-plane vibrations. By tuning external parameters such;as bias and ac voltages, one can cross over from a linear-to a;nonlinear-damping dominated regime. We discuss the behavior of the;effective quality factor in this context. DOI:;10.1103/PhysRevB.86.235435;Isacsson, Andreas/A-6932-2008; Croy, Alexander/D-4149-2013;Croy, Alexander/0000-0001-9296-9350;13;1;0;0;13;1098-0121;WOS:000312694400004;;;J;Juarez-Reyes, L.;Pastor, G. M.;Stepanyuk, V. S.;Tuning substrate-mediated magnetic interactions by external surface;charging: Co and Fe impurities on Cu(111);PHYSICAL REVIEW B;86;23;235436;10.1103/PhysRevB.86.235436;DEC 20 2012;2012;The substrate-mediated magnetic interactions between substitutional Co;and Fe impurities at the Cu(111) surface have been theoretically;investigated as a function of external surface charging. The;modification of the interactions as a result of the metallic screening;and charge rearrangements are determined self-consistently from first;principles by using the Green's-function Korringa-Kohn-Rostoker method.;As in the neutral Cu(111) surface, the effective magnetic exchange;coupling Delta E between impurities shows;Ruderman-Kittel-Kasuya-Yosida-like (RKKY) oscillations as a function of;the interimpurity distance. At large interimpurity distances, the;wavelength of the RKKY oscillation is not significantly affected by the;value and polarity of the external surface charge. Still, important;changes in the magnitude of Delta E are observed. For short distances,;up to fourth nearest neighbors, surface charging offers remarkable;possibilities of controlling the sign and strength of the magnetic;coupling. A nonmonotonous dependence of Delta E, including changes from;ferromagnetic to antiferromagnetic coupling, is observed as a function;of overlayer charging. The charge-induced changes in the surface;electronic structure, local magnetic moments, electronic densities of;states, and interaction energies are analyzed from a local perspective.;The resulting possibilities of manipulating the magnetic interactions in;surface nanostructures are discussed. DOI: 10.1103/PhysRevB.86.235436;2;0;0;0;2;1098-0121;WOS:000312694400005;;;J;Kurahashi, M.;Sun, X.;Yamauchi, Y.;Magnetic properties of O-2 adsorbed on Cu(100): A spin-polarized;metastable He beam study;PHYSICAL REVIEW B;86;24;245421;10.1103/PhysRevB.86.245421;DEC 20 2012;2012;Magnetic properties of O-2 adsorbed on Cu(100) were investigated by;monitoring the spin dependence in Penning ionization of metastable;He(2(3)S) under external magnetic fields of 0-5 T. A clear spin;polarization was found for the 3 sigma and 1 pi(u) orbitals of;physisorbed O-2 under external fields, while the spin polarization;disappeared when O-2 was changed into the chemisorbed state at >50 K.;The magnetic susceptibility at the surface of multilayer and monolayer;of physisorbed O-2 on Cu(100) was similar to that for the bulk liquid;O-2. Observed exchange splittings and spin polarization suggest that a;physisorbed O-2 molecule has a magnetic moment close to that for an;isolated O-2 molecule even at submonolayer coverages, while a density;functional theory calculation predicts a much reduced magnetic moment;for O-2 directly adsorbed on Cu(100). DOI: 10.1103/PhysRevB.86.245421;KURAHASHI, Mitsunori/H-2801-2011;1;0;0;0;1;1098-0121;WOS:000312696900004;;;J;Livneh, Y.;Klipstein, P. C.;Klin, O.;Snapi, N.;Grossman, S.;Glozman, A.;Weiss, E.;k . p model for the energy dispersions and absorption spectra of;InAs/GaSb type-II superlattices;PHYSICAL REVIEW B;86;23;235311;10.1103/PhysRevB.86.235311;DEC 20 2012;2012;We have fitted the k . p model derived recently by one of the authors;[Klipstein, Phys. Rev. B 81, 235314 (2010)] to experimentally measured;photoabsorption spectra at 77 and 300 K for representative InAs/GaSb;superlattices with band-gap wavelengths between 4.3 and 10.5 mu m. The;model is able to reproduce the main features of the absorption spectra,;including a strong peak from the zone boundary HH2 -> E-1 transition. We;have also used the same model to predict the band-gap wavelengths of;over 30 more superlattices, measured by photoluminescence spectroscopy.;The maximum error is 0.6 mu m, which corresponds to an uncertainty of;less than 0.4 ML in layer width. This is comparable with the;experimental uncertainty in layer widths, determined by in situ;beam-flux measurements in the growth reactor. By eliminating all terms;from the Hamiltonian, the energy contribution of which is less than the;error due to the uncertainty in layer widths, the number of unknown;fitting parameters has been reduced to six: two Luttinger parameters,;three interface parameters, and the valence band offset. The remaining;four Luttinger parameters are not independent and are determined from;the two independent ones. Our set of Luttinger parameters is close to;that reported by Lawaetz [Phys. Rev. B 4, 3460 (1971)], with a maximum;deviation in any parameter of 0.6. The interface parameters are diagonal;and have values of D-S = 3 eV angstrom, D-X = 1.3 eV angstrom, and D-Z =;1.1 eV angstrom at 77 K. The off-diagonal interface parameters alpha and;beta are too small to be fitted with any accuracy and have negligible;effect on the unpolarized photoabsorption spectra. We also propose;values for the room-temperature Luttinger and interface parameters. The;fitted unstrained InAs/GaSb band overlap is 0.142 eV. DOI:;10.1103/PhysRevB.86.235311;5;0;0;0;5;1098-0121;WOS:000312694400003;;;J;Sales, Brian C.;May, Andrew F.;McGuire, Michael A.;Stone, Matthew B.;Singh, David J.;Mandrus, David;Transport, thermal, and magnetic properties of the narrow-gap;semiconductor CrSb2;PHYSICAL REVIEW B;86;23;235136;10.1103/PhysRevB.86.235136;DEC 20 2012;2012;Resistivity, the Hall effect, the Seebeck coefficient, thermal;conductivity, heat capacity, and magnetic susceptibility data are;reported for CrSb2 single crystals. In spite of some unusual features in;electrical transport and Hall measurements below 100 K, only one phase;transition is found in the temperature range from 2 to 750 K;corresponding to long-range antiferromagnetic order below T-N;approximate to 273 K. Many of the low-temperature properties can be;explained by the thermal depopulation of carriers from the conduction;band into a low-mobility band located approximately 16 meV below the;conduction-band edge, as deduced from the Hall effect data. In analogy;with what occurs in Ge, the low-mobility band is likely an impurity;band. The Seebeck coefficient, S, is large and negative for temperatures;from 2 to 300 K ranging from approximate to -70 mu V/K at 300 K to -4500;mu V/K at 18 K. A large maximum in vertical bar S vertical bar at 18 K;is likely due to phonon drag, with the abrupt drop in vertical bar S;vertical bar below 18 K due to the thermal depopulation of the;high-mobility conduction band. The large thermal conductivity between 10;and 20 K (approximate to 350 W/m K) is consistent with this;interpretation, as are detailed calculations of the Seebeck coefficient;made using the complete calculated electronic structure. These data are;compared to data reported for FeSb2, which crystallizes in the same;marcasite structure, and FeSi, another unusual narrow-gap semiconductor.;DOI: 10.1103/PhysRevB.86.235136;Stone, Matthew/G-3275-2011; McGuire, Michael/B-5453-2009; May, Andrew/E-5897-2011; Mandrus, David/H-3090-2014;McGuire, Michael/0000-0003-1762-9406;;7;0;0;0;7;1098-0121;WOS:000312694400002;;;J;Toews, W.;Pastor, G. M.;Spin-polarized density-matrix functional theory of the single-impurity;Anderson model;PHYSICAL REVIEW B;86;24;245123;10.1103/PhysRevB.86.245123;DEC 20 2012;2012;Lattice density functional theory (LDFT) is used to investigate spin;excitations in the single-impurity Anderson model. In this method, the;single-particle density matrix gamma(ij sigma) with respect to the;lattice sites replaces the wave function as the basic variable of the;many-body problem. A recently developed two-level approximation (TLA) to;the interaction-energy functional W[gamma] is extended to systems having;spin-polarized density distributions and bond orders. This allows us to;investigate the effect of external magnetic fields and, in particular,;the important singlet-triplet gap Delta E, which determines the Kondo;temperature. Applications to finite Anderson rings and square lattices;show that the gap Delta E as well as other ground-state and;excited-state properties are very accurately reproduced. One concludes;that the spin-polarized TLA is reliable in all interaction regimes, from;weak to strong correlations, for different hybridization strengths and;for all considered impurity valence states. In this way the efficiency;of LDFT to account for challenging electron-correlation effects is;demonstrated. DOI: 10.1103/PhysRevB.86.245123;1;0;0;0;1;1098-0121;WOS:000312696900002;;;J;Weichselbaum, Andreas;Tensor networks and the numerical renormalization group;PHYSICAL REVIEW B;86;24;245124;10.1103/PhysRevB.86.245124;DEC 20 2012;2012;The full-density-matrix numerical renormalization group has evolved as a;systematic and transparent setting for the calculation of;thermodynamical quantities at arbitrary temperatures within the;numerical renormalization group (NRG) framework. It directly evaluates;the relevant Lehmann representations based on the complete basis sets;introduced by Anders and Schiller [Phys. Rev. Lett. 95, 196801 (2005)].;In addition, specific attention is given to the possible feedback from;low-energy physics to high energies by the explicit and careful;construction of the full thermal density matrix, naturally generated;over a distribution of energy shells. Specific examples are given in;terms of spectral functions (fdmNRG), time-dependent NRG (tdmNRG),;Fermi-golden-rule calculations (fgrNRG) as well as the calculation of;plain thermodynamic expectation values. Furthermore, based on the very;fact that, by its iterative nature, the NRG eigenstates are naturally;described in terms of matrix product states, the language of tensor;networks has proven enormously convenient in the description of the;underlying algorithmic procedures. This paper therefore also provides a;detailed introduction and discussion of the prototypical NRG;calculations in terms of their corresponding tensor networks. DOI:;10.1103/PhysRevB.86.245124;Weichselbaum, Andreas/I-8858-2012;Weichselbaum, Andreas/0000-0002-5832-3908;8;0;0;0;8;1098-0121;WOS:000312696900003;;;J;Yan, Jun;Jacobsen, Karsten W.;Thygesen, Kristian S.;Conventional and acoustic surface plasmons on noble metal surfaces: A;time-dependent density functional theory study;PHYSICAL REVIEW B;86;24;241404;10.1103/PhysRevB.86.241404;DEC 20 2012;2012;First-principles calculations of the conventional and acoustic surface;plasmons (CSPs and ASPs) on the (111) surfaces of Cu, Ag, and Au are;presented. The effect of s-d interband transitions on both types of;plasmons is investigated by comparing results from the local density;approximation and an orbital-dependent exchange-correlation (xc);potential that improves the position and width of the d bands. The;plasmon dispersions calculated with the latter xc potential agree well;with electron energy loss spectroscopy (EELS) experiments. For both the;CSP and ASP, the same trend of Cu < Au < Ag is found for the plasmon;energies and is attributed to the reduced screening by interband;transitions from Cu, to Au and Ag. This trend for the ASP, however,;contradicts a previous model prediction. While the ASP is seen as a weak;feature in the EELS, it can be clearly identified in the static and;dynamic dielectric band structure. DOI: 10.1103/PhysRevB.86.241404;Jacobsen, Karsten/B-3602-2009; Yan, Jun/K-3474-2012; Thygesen, Kristian /B-1062-2011;7;0;0;0;7;1098-0121;WOS:000312696900001;;;J;Euchner, H.;Pailhes, S.;Nguyen, L. T. K.;Assmus, W.;Ritter, F.;Haghighirad, A.;Grin, Y.;Paschen, S.;de Boissieu, M.;Phononic filter effect of rattling phonons in the thermoelectric;clathrate Ba8Ge40+xNi6-x;PHYSICAL REVIEW B;86;22;224303;10.1103/PhysRevB.86.224303;DEC 20 2012;2012;One of the key requirements for good thermoelectric materials is a low;lattice thermal conductivity. Here we present a combined neutron;scattering and theoretical investigation of the lattice dynamics in the;type I clathrate system Ba-Ge-Ni, which fulfills this requirement. We;observe a strong hybridization between phonons of the Ba guest atoms and;acoustic phonons of the Ge-Ni host structure over a wide region of the;Brillouin zone, which is in contrast with the frequently adopted picture;of isolated Ba atoms in Ge-Ni host cages. It occurs without a strong;decrease of the acoustic phonon lifetime, which contradicts the usual;assumption of strong anharmonic phonon-phonon scattering processes.;Within the framework of ab initio density-functional theory calculations;we interpret these hybridizations as a series of anticrossings which act;as a low-pass filter, preventing the propagation of acoustic phonons. To;highlight the effect of such a phononic low-pass filter on the thermal;transport, we compute the contribution of acoustic phonons to the;thermal conductivity of Ba8Ge40Ni6 and compare it to those of pure Ge;and a Ge-46 empty-cage model system. DOI: 10.1103/PhysRevB.86.224303;Paschen, Silke/C-3841-2014;Paschen, Silke/0000-0002-3796-0713;8;1;0;0;8;1098-0121;WOS:000312693600002;;;J;Harvey, J. -P.;Gheribi, A. E.;Chartrand, P.;Thermodynamic integration based on classical atomistic simulations to;determine the Gibbs energy of condensed phases: Calculation of the;aluminum-zirconium system;PHYSICAL REVIEW B;86;22;224202;10.1103/PhysRevB.86.224202;DEC 20 2012;2012;In this work, an in silico procedure to generate a fully coherent set of;thermodynamic properties obtained from classical molecular dynamics (MD);and Monte Carlo (MC) simulations is proposed. The procedure is applied;to the Al-Zr system because of its importance in the development of high;strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of;the studied condensed phases of the Al-Zr system (the liquid phase, the;fcc solid solution, and various orthorhombic stoichiometric compounds);are calculated using the modified embedded atom model (MEAM) in the;second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is;parameterized in this work using ab initio and experimental data found;in the literature for the AlZr3-L1(2) structure, while its predictive;ability is confirmed for several other solid structures and for the;liquid phase. The thermodynamic integration (TI) method is implemented;in a general MC algorithm in order to evaluate the absolute Gibbs energy;of the liquid and the fcc solutions. The entropy of mixing calculated;from the TI method, combined to the enthalpy of mixing and the heat;capacity data generated from MD/MC simulations performed in the;isobaric-isothermal/canonical (NPT/NVT) ensembles are used to;parameterize the Gibbs energy function of all the condensed phases in;the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams;(CALPHAD) approach. The modified quasichemical model in the pair;approximation (MQMPA) and the cluster variation method (CVM) in the;tetrahedron approximation are used to define the Gibbs energy of the;liquid and the fcc solid solution respectively for their entire range of;composition. Thermodynamic and structural data generated from our MD/MC;simulations are used as input data to parameterize these thermodynamic;models. A detailed analysis of the validity and transferability of the;Al-Zr MEAM-2NN potential is presented throughout our work by comparing;the predicted properties obtained from this formalism with available ab;initio and experimental data for both liquid and solid phases. DOI:;10.1103/PhysRevB.86.224202;0;0;0;0;0;1098-0121;WOS:000312693600001;;;J;Hoffman, Silas;Upadhyaya, Pramey;Tserkovnyak, Yaroslav;Spin-torque ac impedance in magnetic tunnel junctions;PHYSICAL REVIEW B;86;21;214420;10.1103/PhysRevB.86.214420;DEC 20 2012;2012;Subjecting a magnetic tunnel junction (MTJ) to a spin-transfer torque;and/or electric voltage-induced magnetic anisotropy induces magnetic;precession, which can reciprocally pump current through the circuit.;This results in an ac impedance, which is sensitive to the magnetic;field applied to the MTJ. Measurement of this impedance can be used to;characterize the nature of the coupling between the magnetic free layer;and the electric input as well as a readout of the magnetic;configuration of the MTJ. DOI: 10.1103/PhysRevB.86.214420;1;0;0;0;1;1098-0121;WOS:000312674200003;;;J;Martinez, Enrique;Caro, Alfredo;Atomistic modeling of long-term evolution of twist boundaries under;vacancy supersaturation;PHYSICAL REVIEW B;86;21;214109;10.1103/PhysRevB.86.214109;DEC 20 2012;2012;Vacancy accumulation in 4 degrees {110} bcc Fe and 2 degrees {111} fcc;Cu twist boundaries (TBs) has been studied. These interfaces are;characterized by different sets of screw dislocations: two sets of;a(0)/2 < 111 > and one set of a(0)/2 < 100 > in Fe and three sets of;a(0)/6 < 112 > in Cu. We observe that vacancies agglomerate;preferentially at the misfit dislocation intersections (MDIs), where;their formation energy is lower. In bcc the dislocation structure;remains stable, but in fcc the interface rearranges itself increasing;the stacking fault area. To perform this study a kinetic Monte Carlo;algorithm coupled with the molecular dynamics code LAMMPS has been;developed. Atomic positions are relaxed at every step after an event;takes place to account for long-range strain fields. The events;considered in this work are vacancy migration hops. The rates are;calculated via harmonic transition state theory with the energy at the;saddle point obtained either by a linear approximation considering the;relaxed energy of the initial and final configurations or the;nudged-elastic band method depending on the vacancy position in the;sample. Vacancy diffusivities at both interfaces have also been;calculated. For the {110} TB in Fe the diffusivity is of the same order;of magnitude as in bulk (D-TB(Fe) = 2.60 x 10(-13) m(2)/s) while at the;{111} TB in Cu, diffusivities are two orders of magnitude larger than in;bulk (D-TB(Cu) = 2.06 x 10(-12) m(2)/s). The correlation factors at both;interfaces are extremely low (f(TB)(Fe) = 1.61 x 10(-4) and f(TB)(Cu) =;3.34 x 10(-4)), highlighting the importance of trapping sites at these;interfaces. DOI: 10.1103/PhysRevB.86.214109;3;1;0;0;3;1098-0121;WOS:000312674200002;;;J;McCash, Kevin;Srikanth, A.;Ponomareva, I.;Competing polarization reversal mechanisms in ferroelectric nanowires;PHYSICAL REVIEW B;86;21;214108;10.1103/PhysRevB.86.214108;DEC 20 2012;2012;Polarization reversal in ferroelectrics has been a subject of intense;interest for many years owing to both its scientific appeal and;practical utility. In recent years the interest has increased even;further thanks to the expectations of achieving ultrafast polarization;reversal at the nanoscale. While most of the studies up to now are;focused on the polarization reversal in ferroelectric thin films, we;report the intrinsic dynamics of ultrafast polarization reversal in;ferroelectric nanowires. Using atomistic first-principles-based;simulations, we trace the time evolution of polarization under applied;electric field to reveal the existence of two competing polarization;reversal mechanisms: (i) domain-driven and (ii) homogeneous. The;analysis of their microscopic origin allows us to postulate the;associated laws and leads to a deeper understanding of polarization;reversal dynamics in general. In addition, we find that in defect-free;nanowires the polarization reversal can occur within picoseconds, which;potentially is very promising for ultrafast memory and other;applications. DOI: 10.1103/PhysRevB.86.214108;Ponomareva, Inna/C-4067-2012;6;0;0;0;6;1098-0121;WOS:000312674200001;;;J;Silaev, M. A.;Volovik, G. E.;Topological Fermi arcs in superfluid He-3;PHYSICAL REVIEW B;86;21;214511;10.1103/PhysRevB.86.214511;DEC 20 2012;2012;We consider fermionic states bound on domain walls in a Weyl superfluid;He-3-A and on interfaces between He-3-A and a fully gapped topological;superfluid He-3-B. We demonstrate that in both cases the fermionic;spectrum contains Fermi arcs that are continuous nodal lines of energy;spectrum terminating at the projections of two Weyl points to the plane;of surface states in momentum space. The number of Fermi arcs is;determined by the index theorem that relates bulk values of the;topological invariant to the number of zero-energy surface states. The;index theorem is consistent with an exact spectrum of Bogolubov-de;Gennes equation obtained numerically, meanwhile, the quasiclassical;approximation fails to reproduce the correct number of zero modes. Thus;we demonstrate that topology describes the properties of the exact;spectrum beyond the quasiclassical approximation. DOI:;10.1103/PhysRevB.86.214511;8;0;0;0;8;1098-0121;WOS:000312674200006;;;J;Sluka, V.;Kakay, A.;Deac, A. M.;Buergler, D. E.;Hertel, R.;Schneider, C. M.;Quenched Slonczewski windmill in spin-torque vortex oscillators;PHYSICAL REVIEW B;86;21;214422;10.1103/PhysRevB.86.214422;DEC 20 2012;2012;We present a combined analytical and numerical study on double-vortex;spin-torque nano-oscillators and describe a mechanism that suppresses;the windmill modes. The magnetization dynamics is dominated by the;gyrotropic precession of the vortex in one of the ferromagnetic layers.;In the other layer, the vortex gyration is strongly damped. The;dominating layer for the magnetization dynamics is determined by the;sign of the product between sample current and the chiralities.;Measurements on Fe/Ag/Fe nanopillars support these findings. The results;open up a new perspective for building high quality-factor spin-torque;oscillators operating at selectable, well-separated frequency bands.;DOI: 10.1103/PhysRevB.86.214422;Deac, Alina/D-2961-2012; Buergler, Daniel/I-7408-2012; Kakay, Attila/B-7106-2008; Schneider, Claus/H-7453-2012;Buergler, Daniel/0000-0002-5579-4886; Kakay, Attila/0000-0002-3195-219X;;Schneider, Claus/0000-0002-3920-6255;4;0;0;0;4;1098-0121;WOS:000312674200005;;;J;Strohm, C.;Roth, T.;Detlefs, C.;van der Linden, P.;Mathon, O.;Element-selective magnetometry in ferrimagnetic erbium iron garnet;PHYSICAL REVIEW B;86;21;214421;10.1103/PhysRevB.86.214421;DEC 20 2012;2012;The emergence of a field induced canted phase below a critical;temperature is one of the characteristic properties of ferrimagnets with;two inequivalent antiferromagnetically coupled sublattices. Using x-ray;magnetic circular dichroism at the Fe K edge, we have performed element;selective magnetometry in ferrimagnetic erbium iron garnet in fields up;to 30 T. The signal from the tetrahedral Fe sites at 70 K allows the;detection of the two transitions at 10 and 23 T bounding the canted;phase and the direct observation of the reversal of the Fe-sublattice;magnetization within this phase. DOI: 10.1103/PhysRevB.86.214421;Detlefs, Carsten/B-6244-2008;Detlefs, Carsten/0000-0003-2573-2286;0;0;0;0;0;1098-0121;WOS:000312674200004;;;J;Yang, Huan;Wang, Zhenyu;Fang, Delong;Li, Sheng;Kariyado, Toshikaze;Chen, Genfu;Ogata, Masao;Das, Tanmoy;Balatsky, A. V.;Wen, Hai-Hu;Unexpected weak spatial variation in the local density of states induced;by individual Co impurity atoms in superconducting Na(Fe1-xCox)As;crystals revealed by scanning tunneling spectroscopy;PHYSICAL REVIEW B;86;21;214512;10.1103/PhysRevB.86.214512;DEC 20 2012;2012;We use spatially resolved scanning tunneling spectroscopy in;Na(Fe1-xCox)As to investigate the impurity effect induced by Co dopants.;The Co impurities are successfully identified, and the spatial;distributions of local density of state at different energies around;these impurities are investigated. It is found that the spectrum shows;negligible spatial variation at different positions near the Co;impurity, although there is a continuum of the in-gap states which lifts;the zero-bias conductance to a finite value. Our results put constraints;on the S +/- and S++ models and sharpen the debate on the role of;scattering potentials induced by the Co dopants. DOI:;10.1103/PhysRevB.86.214512;Das, Tanmoy/F-7174-2013;9;0;1;0;9;1098-0121;WOS:000312674200007;;;J;Chen, Gang;Hermele, Michael;Magnetic orders and topological phases from f-d exchange in pyrochlore;iridates;PHYSICAL REVIEW B;86;23;235129;10.1103/PhysRevB.86.235129;DEC 19 2012;2012;We study theoretically the effects of f-d magnetic exchange interaction;in the R2Ir2O7 pyrochlore iridates. The R3+ f electrons form localized;Kramers or non-Kramers doublets, while the Ir4+ d electrons are more;itinerant and feel a strong spin-orbit coupling. We construct and;analyze a minimal model capturing this physics, treating the Ir;subsystem using a Hubbard-type model. First neglecting the Hubbard;interaction, we find Weyl semimetal and Axion insulator phases induced;by the f-d exchange. Next, we find that f-d exchange can cooperate with;the Hubbard interaction to stabilize the Weyl semimetal over a larger;region of parameter space than when it is induced by d-electron;correlations alone. Applications to experiments are discussed. DOI:;10.1103/PhysRevB.86.235129;15;1;0;0;15;1098-0121;WOS:000312495500002;;;J;Hung, Ling-Yan;Wan, Yidun;String-net models with Z(N) fusion algebra;PHYSICAL REVIEW B;86;23;235132;10.1103/PhysRevB.86.235132;DEC 19 2012;2012;We study the Levin-Wen string-net model with a Z(N) type fusion algebra.;Solutions of the local constraints of this model correspond to Z(N);gauge theory and double Chern-Simons theories with quantum groups. For;the first time, we explicitly construct a spin-(N - 1)/2 model with Z(N);gauge symmetry on a triangular lattice as an exact dual model of the;string-net model with a Z(N) type fusion algebra on a honeycomb lattice.;This exact duality exists only when the spins are coupled to a Z(N);gauge field living on the links of the triangular lattice. The ungauged;Z(N) lattice spin models are a class of quantum systems that bear;symmetry-protected topological phases that may be classified by the;third cohomology group H-3(Z(N), U(1)) of Z(N). Our results apply also;to any case where the fusion algebra is identified with a finite group;algebra or a quantum group algebra. DOI: 10.1103/PhysRevB.86.235132;9;0;0;0;9;1098-0121;WOS:000312495500005;;;J;Husser, H.;Pehlke, E.;Analysis of two-photon photoemission from Si(001);PHYSICAL REVIEW B;86;23;235134;10.1103/PhysRevB.86.235134;DEC 19 2012;2012;We have applied our ab initio simulation approach for the photoemission;process at solid surfaces to calculate two-photon photoemission spectra;from the p(2 x 2)-reconstructed Si(001) surface. In this approach, the;ground-state electronic structure of the surface is obtained within;density functional theory. The subsequent time-dependent simulation is;carried through at frozen effective potential, while an optical;potential is applied to account for inelastic scattering in the excited;state. We have derived normal emission spectra for s-and p-polarized;light with photon energies in the range (h) over bar omega = 3.85-4.75;eV. The dependence of the theoretical spectra on photon energy and;polarization is analyzed and compared to experimental spectra from the;literature. To unravel the role of the unoccupied states between Fermi;energy and the vacuum level which are acting as intermediate states in;the excitation process, we investigate the expression for the two-photon;photocurrent from perturbation theory. The scattering states, which;serve as the final states of photoemission, are obtained from a;time-dependent simulation of a LEED-type experiment. The evaluation of;the dipole matrix elements allows us to identify the relevant bulk band;transitions and to address the influence of surface states. DOI:;10.1103/PhysRevB.86.235134;0;0;0;0;0;1098-0121;WOS:000312495500007;;;J;Jenkins, Gregory S.;Sushkov, Andrei B.;Schmadel, Don C.;Kim, M. -H.;Brahlek, Matthew;Bansal, Namrata;Oh, Seongshik;Drew, H. Dennis;Giant plateau in the terahertz Faraday angle in gated Bi2Se3;PHYSICAL REVIEW B;86;23;235133;10.1103/PhysRevB.86.235133;DEC 19 2012;2012;We report gated terahertz Faraday angle measurements on epitaxial Bi2Se3;thin films capped with In2Se3. A plateau is observed in the real part of;the Faraday angle at an onset gate voltage corresponding to no band;bending at the surface, which persists into accumulation. The plateau is;two orders of magnitude flatter than the step size expected from a;single Landau level in the low-frequency limit, quantized in units of;the fine structure constant. At 8 T, the plateau extends over a range of;gate voltage that spans an electron density greater than 14 times the;quantum flux density. Both the imaginary part of the Faraday angle and;transmission measurements indicate dissipative off-axis and longitudinal;conductivity channels associated with the plateau. DOI:;10.1103/PhysRevB.86.235133;6;0;0;0;6;1098-0121;WOS:000312495500006;;;J;Maciejko, Joseph;Qi, Xiao-Liang;Karch, Andreas;Zhang, Shou-Cheng;Models of three-dimensional fractional topological insulators;PHYSICAL REVIEW B;86;23;235128;10.1103/PhysRevB.86.235128;DEC 19 2012;2012;Time-reversal invariant three-dimensional topological insulators can be;defined fundamentally by a topological field theory with a quantized;axion angle theta of 0 or pi. It was recently shown that fractional;quantized values of theta are consistent with time-reversal invariance;if deconfined, gapped, fractionally charged bulk excitations appear in;the low-energy spectrum due to strong correlation effects, leading to;the concept of a fractional topological insulator. These fractionally;charged excitations are coupled to emergent gauge fields, which ensure;that the microscopic degrees of freedom, the original electrons, are;gauge-invariant objects. A first step towards the construction of;microscopic models of fractional topological insulators is to understand;the nature of these emergent gauge theories and their corresponding;phases. In this work, we show that low-energy effective gauge theories;of both Abelian or non-Abelian type are consistent with a fractional;quantized axion angle if they admit a Coulomb phase or a Higgs phase;with gauge group broken down to a discrete subgroup. The Coulomb phases;support gapless but electrically neutral bulk excitations while the;Higgs phases are fully gapped. The Higgs and non-Abelian Coulomb phases;exhibit multiple ground states on boundaryless spatial three-manifolds;with nontrivial first homology, while the Abelian Coulomb phase has a;unique ground state. The ground-state degeneracy receives an additional;contribution on manifolds with boundary due to the induced boundary;Chern-Simons term. DOI: 10.1103/PhysRevB.86.235128;Zhang, Shou-Cheng/B-2794-2010;6;0;0;0;6;1098-0121;WOS:000312495500001;;;J;Mikheev, E.;Stolichnov, I.;De Ranieri, E.;Wunderlich, J.;Trodahl, H. J.;Rushforth, A. W.;Riester, S. W. E.;Campion, R. P.;Edmonds, K. W.;Gallagher, B. L.;Setter, N.;Magnetic domain wall propagation under ferroelectric control;PHYSICAL REVIEW B;86;23;235130;10.1103/PhysRevB.86.235130;DEC 19 2012;2012;Control of magnetic domain walls (DWs) and their propagation is among;the most promising development directions for future information-storage;devices. The well-established tools for such manipulation are the;spin-torque transfer from electrical currents and strain. The focus of;this paper is an alternative concept based on the nonvolatile;ferroelectric field effect on DWs in a ferromagnet with carrier-mediated;exchange coupling. The integrated ferromagnet/ferroelectric structure;yields two superimposed ferroic patterns strongly coupled by an electric;field. Using this coupling, we demonstrate an easy-to-form, stable,;nondestructive, and electrically rewritable switch on magnetic domain;wall propagation. DOI: 10.1103/PhysRevB.86.235130;Stolichnov, Igor/B-3331-2014; Wunderlich, Joerg/G-6918-2014;Stolichnov, Igor/0000-0003-0606-231X;;2;0;0;0;2;1098-0121;WOS:000312495500003;;;J;Yamaoka, Hitoshi;Zekko, Yumiko;Kotani, Akio;Jarrige, Ignace;Tsujii, Naohito;Lin, Jung-Fu;Mizuki, Jun'ichiro;Abe, Hideki;Kitazawa, Hideaki;Hiraoka, Nozomu;Ishii, Hirofumi;Tsuei, Ku-Ding;Electronic transitions in CePd2Si2 studied by resonant x-ray emission;spectroscopy at high pressures and low temperatures;PHYSICAL REVIEW B;86;23;235131;10.1103/PhysRevB.86.235131;DEC 19 2012;2012;Temperature and pressure dependences of the electronic structure of the;heavy-fermion system CePd2Si2 have been investigated using partial;fluorescence yield x-ray absorption spectroscopy and resonant x-ray;emission spectroscopy at the Ce L-3 edge. The temperature dependence has;also been measured for CeRh2Si2 for comparison. In both compounds Ce is;in a weakly mixed valence state at ambient pressure, mostly f(1) with a;small contribution from the f(0) component. No temperature dependence of;the Ce valence is observed at temperatures as low as 8 K. In CePd2Si2 at;19 K, however, the Ce valence shows a continuous increase with pressure,;indicating pressure-induced delocalization of the 4f states. Theoretical;calculations based on the single impurity Anderson model reproduce the;experimental results well. Pressure dependence of the difference between;the ground state valence and the measured valence including the final;state effect is also discussed. DOI: 10.1103/PhysRevB.86.235131;Lin, Jung-Fu/B-4917-2011;3;0;0;0;3;1098-0121;WOS:000312495500004;;;J;Zolyomi, V.;Ivady, V.;Gali, A.;Enhancement of electron-nuclear hyperfine interaction at lattice defects;in semiconducting single-walled carbon nanotubes studied by ab initio;density functional theory calculations;PHYSICAL REVIEW B;86;23;235433;10.1103/PhysRevB.86.235433;DEC 19 2012;2012;We present a first principles study of the electron-nuclear;hyperfine-interaction (HF) in achiral single-walled carbon nanotubes;(SWCNTs). We show that while HF coupling is small in perfect nanotubes,;it is significantly enhanced near lattice defects such as vacancies and;Stone-Wales pairs. The enhancement of hyperfine coupling near the;defects varies considerably in different nanotubes which might pave the;way to simultaneously identifying the chirality of carbon nanotubes and;the defects inside them by sophisticated magnetic resonance techniques.;Charged vacancy is proposed as a candidate for solid state qubit in;semiconducting SWCNTs. DOI: 10.1103/PhysRevB.86.235433;0;0;0;0;0;1098-0121;WOS:000312495500008;;;J;Castro, M.;Gago, R.;Vazquez, L.;Munoz-Garcia, J.;Cuerno, R.;Stress-induced solid flow drives surface nanopatterning of silicon by;ion-beam irradiation;PHYSICAL REVIEW B;86;21;214107;10.1103/PhysRevB.86.214107;DEC 19 2012;2012;Ion-beam sputtering (IBS) is known to produce surface nanopatterns over;macroscopic areas on a wide range of materials. However, in spite of the;technological potential of this route to nanostructuring, the physical;process by which these surfaces self-organize remains poorly understood.;We have performed detailed experiments of IBS on Si substrates that;validate dynamical and morphological predictions from a hydrodynamic;description of the phenomenon. We introduce a systematic approach to;perform the experiments under conditions that guarantee the;applicability of a linear description, helping to clarify the;experimental framework in which theories should be tested. Among our;results, the pattern wavelength is experimentally seen to depend almost;linearly on ion energy, in agreement with existing results for other;targets that are amorphous or become so under irradiation. Our work;substantiates flow of a nanoscopically thin and highly viscous surface;layer, driven by the stress created by the ion beam, as an accurate;description of this class of systems.;Gago, Raul/C-6762-2008; VAZQUEZ, LUIS/A-1272-2009; Munoz-Garcia, Javier/C-1135-2011; Castro, Mario/A-3585-2009;Gago, Raul/0000-0003-4388-8241; VAZQUEZ, LUIS/0000-0001-6220-2810;;Castro, Mario/0000-0003-3288-6144;22;0;0;0;22;1098-0121;WOS:000312494800001;;;J;Fishman, Randy S.;Furukawa, Nobuo;Haraldsen, Jason T.;Matsuda, Masaaki;Miyahara, Shin;Identifying the spectroscopic modes of multiferroic BiFeO3;PHYSICAL REVIEW B;86;22;220402;10.1103/PhysRevB.86.220402;DEC 19 2012;2012;We have identified the modes of multiferroic BiFeO3 measured by THz and;Raman spectroscopies. Excellent agreement with the observed peaks is;obtained by including the effects of easy-axis anisotropy along the;direction of the electric polarization. By distorting the cycloidal spin;state, anisotropy splits the Psi(perpendicular to 1) mode into peaks at;20 and 21.5 cm(-1) and activates the lower Phi(+/- 2) mode at 27 cm(-1);(T = 200 K). An electromagnon is identified with the upper Psi(+/- 1);mode at 21.5 cm(-1). Our results also explain recent inelastic;neutron-scattering measurements. DOI:10.1103/PhysRevB.86.220402;Haraldsen, Jason/B-9809-2012; Fishman, Randy/C-8639-2013; Lujan Center, LANL/G-4896-2012;Haraldsen, Jason/0000-0002-8641-5412;;8;0;0;0;8;1098-0121;WOS:000312495200001;;;J;Geraedts, Scott D.;Motrunich, Olexei I.;Monte Carlo study of a U(1) x U(1) loop model with modular invariance;PHYSICAL REVIEW B;86;24;245121;10.1103/PhysRevB.86.245121;DEC 19 2012;2012;We study a U(1) x U(1) system in (2+1) dimensions with long-range;interactions and mutual statistics. The model has the same form after;the application of operations from the modular group, a property which;we call modular invariance. Using the modular invariance of the model,;we propose a possible phase diagram. We obtain a sign-free reformulation;of the model and study it in Monte Carlo. This study confirms our;proposed phase diagram. We use the modular invariance to analytically;determine the current-current correlation functions and conductivities;in all the phases in the diagram, as well as at special "fixed" points;which are unchanged by an operation from the modular group. We;numerically determine the order of the phase transitions, and find;segments of second-order transitions. For the statistical interaction;parameter theta = pi, these second-order transitions are evidence of a;critical loop phase obtained when both loops are trying to condense;simultaneously. We also measure the critical exponents of the;second-order transitions. DOI: 10.1103/PhysRevB.86.245121;1;0;0;0;1;1098-0121;WOS:000312495800003;;;J;Giering, Kay-Uwe;Salmhofer, Manfred;Self-energy flows in the two-dimensional repulsive Hubbard model;PHYSICAL REVIEW B;86;24;245122;10.1103/PhysRevB.86.245122;DEC 19 2012;2012;We study the two-dimensional repulsive Hubbard model by functional;renormalization group methods, using our recently proposed channel;decomposition of the interaction vertex. The main technical advance of;this work is that we calculate the full Matsubara frequency dependence;of the self-energy and the interaction vertex in the whole frequency;range without simplifying assumptions on its functional form, and that;the effects of the self-energy are fully taken into account in the;equations for the flow of the two-body vertex function. At Van Hove;filling, we find that the Fermi-surface deformations remain small at;fixed particle density and have a minor impact on the structure of the;interaction vertex. The frequency dependence of the self-energy,;however, turns out to be important, especially at a transition from;ferromagnetism to d-wave superconductivity. We determine;non-Fermi-liquid exponents at this transition point. DOI:;10.1103/PhysRevB.86.245122;14;0;0;0;14;1098-0121;WOS:000312495800004;;;J;Le Roux, Sebastien;Bouzid, Assil;Boero, Mauro;Massobrio, Carlo;Structural properties of glassy Ge2Se3 from first-principles molecular;dynamics;PHYSICAL REVIEW B;86;22;224201;10.1103/PhysRevB.86.224201;DEC 19 2012;2012;The structural properties of glassy Ge2Se3 were studied in the framework;of first-principles molecular dynamics by using the Becke-Lee-Yang-Parr;scheme for the treatment of the exchange-correlation functional in;density functional theory. Our results for the total neutron structure;factor and the total pair distribution function are in very good;agreement with the experimental results. When compared to the structural;description obtained for liquid Ge2Se3, glassy Ge2Se3 is found to be;characterized by a larger percentage of fourfold coordinated Ge atoms;and a lower number of miscoordinations. However, Ge-Ge homopolar bonds;inevitably occur due to the lack of Se atoms available, at this;concentration, to form GeSe4 tetrahedra. Focusing on the family of;glasses GexSe1-x, the present results allow a comparison to be carried;out in reciprocal and real space among three prototypical glassy;structures. The first was obtained at the stoichiometric composition;(glassy GeSe2), the second at a Se-rich composition (glassy GeSe4) and;the third at a Ge-rich composition (glassy Ge2Se3). All networks are;consistent with the "8 - N" rule, in particular, glassy GeSe4, which;exhibits the highest degree of chemical order. The electronic structure;of glassy Ge2Se3 has been characterized by using the Wannier localized;orbital formalism. The analysis of the Ge environment shows the presence;of dangling, ionocovalent Ge-Se, and covalent bonds, the latter related;to Ge-Ge connections. DOI: 10.1103/PhysRevB.86.224201;BOERO, Mauro/M-2358-2014;BOERO, Mauro/0000-0002-5052-2849;6;0;0;0;6;1098-0121;WOS:000312495200004;;;J;Matthews, M. J.;Castelnovo, C.;Moessner, R.;Grigera, S. A.;Prabhakaran, D.;Schiffer, P.;High-temperature onset of field-induced transitions in the spin-ice;compound Dy2Ti2O7;PHYSICAL REVIEW B;86;21;214419;10.1103/PhysRevB.86.214419;DEC 19 2012;2012;We have studied the field-dependent ac magnetic susceptibility of single;crystals of Dy2Ti2O7 spin ice along the [111] direction in the;temperature range 1.8-7 K. Our data reflect the onset of local spin-ice;order in the appearance of different field regimes. In particular, we;observe a prominent feature at approximately 1.0 T that is a precursor;of the low-temperature metamagnetic transition out of field-induced;kagome ice, below which the kinetic constraints imposed by the ice rules;manifest themselves in a substantial frequency dependence of the;susceptibility. Despite the relatively high temperatures, our results;are consistent with a monopole picture, and they demonstrate that such a;picture can give physical insight into spin-ice systems even outside the;low-temperature, low-density limit where monopole excitations are;well-defined quasiparticles.;6;2;0;0;6;1098-0121;WOS:000312494800002;;;J;Nuss, Martin;Heil, Christoph;Ganahl, Martin;Knap, Michael;Evertz, Hans Gerd;Arrigoni, Enrico;von der Linden, Andwolfgang;Steady-state spectra, current, and stability diagram of a quantum dot: A;nonequilibrium variational cluster approach;PHYSICAL REVIEW B;86;24;245119;10.1103/PhysRevB.86.245119;DEC 19 2012;2012;We calculate steady-state properties of a strongly correlated quantum;dot under voltage bias by means of nonequilibrium cluster perturbation;theory and the nonequilibrium variational cluster approach,;respectively. Results for the steady-state current are benchmarked;against data from accurate matrix product state based time evolution. We;show that for low to medium interaction strength, nonequilibrium cluster;perturbation theory already yields good results, while for higher;interaction strength the self-consistent feedback of the nonequilibrium;variational cluster approach significantly enhances the accuracy. We;report the current-voltage characteristics for different interaction;strengths. Furthermore we investigate the nonequilibrium local density;of states of the quantum dot and illustrate that within the variational;approach a linear splitting and broadening of the Kondo resonance is;predicted which depends on interaction strength. Calculations with;applied gate voltage, away from particle-hole symmetry, reveal that the;maximum current is reached at the crossover from the Kondo regime to the;doubly occupied or empty quantum dot. Obtained stability diagrams;compare very well to recent experimental data [A. V. Kretinin et al.,;Phys. Rev. B 84, 245316 (2011)]. DOI: 10.1103/PhysRevB.86.245119;Knap, Michael/H-3344-2011; Arrigoni, Enrico/E-4507-2012; Nuss, Martin/J-5674-2014;Knap, Michael/0000-0002-7093-9502; Arrigoni, Enrico/0000-0002-1347-3080;;;7;0;0;0;7;1098-0121;WOS:000312495800001;;;J;Rottler, Andreas;Krueger, Benjamin;Heitmann, Detlef;Pfannkuche, Daniela;Mendach, Stefan;Route towards cylindrical cloaking at visible frequencies using an;optimization algorithm;PHYSICAL REVIEW B;86;24;245120;10.1103/PhysRevB.86.245120;DEC 19 2012;2012;We derive a model based on the Maxwell-Garnett effective-medium theory;that describes a cylindrical cloaking shell composed of metal rods which;are radially aligned in a dielectric host medium. We propose and;demonstrate a minimization algorithm that calculates for given material;parameters the optimal geometrical parameters of the cloaking shell such;that its effective optical parameters fit the best to the required;permittivity distribution for cylindrical cloaking. By means of;sophisticated full-wave simulations we find that a cylindrical cloak;with good performance using silver as the metal can be designed with our;algorithm for wavelengths in the red part of the visible spectrum (623;nm < lambda < 773 nm). We also present a full-wave simulation of such a;cloak at an exemplary wavelength of lambda = 729 nm (h omega = 1.7 eV);which indicates that our model is useful to find design rules of cloaks;with good cloaking performance. Our calculations investigate a structure;that is easy to fabricate using standard preparation techniques and;therefore pave the way to a realization of guiding light around an;object at visible frequencies, thus rendering it invisible. DOI:;10.1103/PhysRevB.86.245120;Krueger, Benjamin/B-7466-2009;Krueger, Benjamin/0000-0001-8502-368X;0;0;0;0;0;1098-0121;WOS:000312495800002;;;J;Tokiwa, Y.;Huebner, S. -H.;Beck, O.;Jeevan, H. S.;Gegenwart, P.;Unique phase diagram with narrow superconducting dome in;EuFe2(As1-xPx)(2) due to Eu2+ local magnetic moments;PHYSICAL REVIEW B;86;22;220505;10.1103/PhysRevB.86.220505;DEC 19 2012;2012;The interplay between superconductivity and Eu2+ magnetic moments in;EuFe2(As1-xPx)(2) is studied with electrical resistivity measurements;under hydrostatic pressure on x = 0.13 and x = 0.18 single crystals. We;can map hydrostatic pressure to chemical pressure x and show that;superconductivity is confined to a very narrow range 0.18 <= x <= 0.23;in the phase diagram, beyond which ferromagnetic (FM) Eu ordering;suppresses superconductivity. The change from antiferro- to FM Eu;ordering at the latter concentration coincides with a Lifshitz;transition and the complete depression of iron magnetic order. DOI:;10.1103/PhysRevB.86.220505;6;0;0;0;6;1098-0121;WOS:000312495200002;;;J;Tran Doan Huan;Amsler, Maximilian;Vu Ngoc Tuoc;Willand, Alexander;Goedecker, Stefan;Low-energy structures of zinc borohydride Zn(BH4)(2);PHYSICAL REVIEW B;86;22;224110;10.1103/PhysRevB.86.224110;DEC 19 2012;2012;We present a systematic study of the low-energy structures of zinc;borohydride, a crystalline material proposed for the purpose of hydrogen;storage. In addition to previously proposed structures, many new;low-energy structures of zinc borohydride are found by utilizing;theminima-hopping method. We identify a new dynamically stable structure;which belongs to the I4(1)22 space group as the lowest-energy phase of;zinc borohydride at low temperatures. A low transition barrier between;I4(1)22 and P1, the two lowest-lying phases of zinc borohydride, is;predicted, implying that a coexistence of low-energy phases of zinc;borohydride is possible at ambient conditions. An analysis based on the;simulated x-ray-diffraction pattern reveals that the I4(1)22 structure;exhibits the same major features as the experimentally synthesized zinc;borohydride samples. DOI: 10.1103/PhysRevB.86.224110;Amsler, Maximilian/H-4718-2013; Tran, Huan/K-3587-2013;Tran, Huan/0000-0002-8093-9426;4;0;0;0;4;1098-0121;WOS:000312495200003;;;J;van den Berg, T. L.;Raymond, L.;Verga, A.;Enhanced spin Hall effect in strong magnetic disorder;PHYSICAL REVIEW B;86;24;245420;10.1103/PhysRevB.86.245420;DEC 19 2012;2012;We consider a two-dimensional electron gas in an inversion asymmetric;layer and in the presence of spatially distributed magnetic impurities.;We investigate the relationship between the geometrical properties of;the wave function and the system's spin-dependent transport properties.;A localization transition, arising when disorder is increased, is;exhibited by the appearance of a fractal state with finite inverse;participation ratio. Below the transition, interference effects modify;the carrier's diffusion, as revealed by the dependence on the scattering;time of the power law exponents characterizing the spreading of a wave;packet. Above the transition, in the strong disorder regime, we find;that the states are spin polarized and localized around the impurities.;A significant enhancement of the spin current develops in this regime.;DOI: 10.1103/PhysRevB.86.245420;RAYMOND, Laurent/B-6025-2008;RAYMOND, Laurent/0000-0002-5014-1333;0;0;0;0;0;1098-0121;WOS:000312495800005;;;J;Bauer, Oliver;Mercurio, Giuseppe;Willenbockel, Martin;Reckien, Werner;Schmitz, Christoph Heinrich;Fiedler, Benjamin;Soubatch, Serguei;Bredow, Thomas;Tautz, Frank Stefan;Sokolowski, Moritz;Role of functional groups in surface bonding of planar pi-conjugated;molecules;PHYSICAL REVIEW B;86;23;235431;10.1103/PhysRevB.86.235431;DEC 18 2012;2012;The trends in the bonding mechanism of 3,4,9,10-perylenetetracarboxylic;acid dianhydride (PTCDA) to the Ag(111), Ag(100), and Ag(110) surfaces;were analyzed on the basis of data obtained from x-ray standing waves;and dispersion-corrected density functional theory. Of importance are;the attractive local O-Ag bonds on the anhydride groups. They are the;shorter, the more open the surface is, and lead even to partly repulsive;interactions between the perylene core and the surface. In parallel,;there is an increasing charge donation from the Ag surface into the pi;system of the PTCDA. This synergism explains the out-of-plane distortion;of the adsorbed PTCDA and the surface buckling. DOI:;10.1103/PhysRevB.86.235431;13;1;0;0;13;1098-0121;WOS:000312445200001;;;J;Saptsov, R. B.;Wegewijs, M. R.;Fermionic superoperators for zero-temperature nonlinear transport:;Real-time perturbation theory and renormalization group for Anderson;quantum dots;PHYSICAL REVIEW B;86;23;235432;10.1103/PhysRevB.86.235432;DEC 18 2012;2012;We study electron quantum transport through a strongly interacting;Anderson quantum dot at finite bias voltage and magnetic field at zero;temperature using the real-time renormalization group (RT-RG) in the;framework of a kinetic (generalized master) equation for the reduced;density operator. To this end, we further develop the general,;finite-temperature real-time transport formalism by introducing field;superoperators that obey fermionic statistics. This direct second;quantization in Liouville Fock space strongly simplifies the;construction of operators and superoperators that transform irreducibly;under the Anderson-model symmetry transformations. The fermionic field;superoperators naturally arise from the univalence (fermion-parity);superselection rule of quantum mechanics for the total system of quantum;dot plus reservoirs. Expressed in these field superoperators, the causal;structure of the perturbation theory for the effective time-evolution;superoperator kernel becomes explicit. Using the constraints of the;causal structure, we construct a parametrization of the exact effective;time-evolution kernel for which we analytically find the eigenvectors;and eigenvalues in terms of a minimal set of only 30 independent;coefficients. The causal structure also implies the existence of a;fermion-parity protected eigenvector of the exact Liouvillian,;explaining a recently reported result on adiabatic driving;[Contreras-Pulido et al., Phys. Rev. B 85, 075301 (2012)] and;generalizing it to arbitrary order in the tunnel coupling Gamma.;Furthermore, in the wide-band limit, the causal representation;exponentially reduces the number of diagrams for the time-evolution;kernel. The remaining diagrams can be identified simply by their;topology and are manifestly independent of the energy cutoff term by;term. By an exact reformulation of this series, we integrate out all;infinite-temperature effects, obtaining an expansion targeting only the;nontrivial, finite-temperature corrections, and the exactly conserved;transport current follows directly from the time-evolution kernel. From;this new series, the previously formulated RT-RG equations are obtained;naturally. We perform a complete one-plus-two-loop RG analysis at finite;voltage and magnetic field, while systematically accounting for the;dependence of all renormalized quantities on both the quantum dot and;reservoir frequencies. Using the second quantization in Liouville space;and symmetry restrictions, we obtain analytical RT-RG equations, which;can be solved numerically in an efficient way, and we extensively study;the model parameter space, excluding the Kondo regime where the;one-plus-two-loop approach is obviously invalid. The incorporated;renormalization effects result in an enhancement of the inelastic;cotunneling peak, even at a voltage similar to magnetic field similar to;tunnel coupling Gamma. Moreover, we find a tunnel-induced nonlinearity;of the stability diagrams (Coulomb diamonds) at finite voltage, both in;the single-electron tunneling and inelastic cotunneling regime. DOI:;10.1103/PhysRevB.86.235432;Wegewijs, Maarten/A-3512-2012;Wegewijs, Maarten/0000-0002-2972-3822;9;0;0;0;9;1098-0121;WOS:000312445200002;;;J;Tyrrell, E. J.;Smith, J. M.;Effective mass modeling of excitons in type-II quantum dot;heterostructures (vol 84, 165328, 2011);PHYSICAL REVIEW B;86;23;239905;10.1103/PhysRevB.86.239905;DEC 18 2012;2012;0;0;0;0;0;1098-0121;WOS:000312445200003;;;J;Buividovich, P. V.;Polikarpov, M. I.;Monte Carlo study of the electron transport properties of monolayer;graphene within the tight-binding model;PHYSICAL REVIEW B;86;24;245117;10.1103/PhysRevB.86.245117;DEC 18 2012;2012;We study the effect of Coulomb interaction between charge carriers on;the properties of graphene monolayer, assuming that the strength of the;interaction is controlled by the dielectric permittivity of the;substrate on which the graphene layer is placed. To this end, we;consider the tight-binding model on the hexagonal lattice coupled to the;noncompact gauge field. The action of the latter is also discretized on;the hexagonal lattice. Equilibrium ensembles of gauge field;configurations are obtained using the hybrid Monte Carlo algorithm. Our;numerical results indicate that at sufficiently strong coupling, that;is, at sufficiently small substrate dielectric permittivities epsilon;less than or similar to 4 and at sufficiently small temperatures T less;than or similar to 1 x 10(4) K, the symmetry between simple sublattices;of hexagonal lattice breaks down spontaneously and the low-frequency;conductivity gradually decreases down to 20-30% of its weak-coupling;value. On the other hand, in the weak-coupling regime (with epsilon;greater than or similar to 4), the conductivity practically does not;depend on epsilon and is close to the universal value sigma(0) = 1/4.;DOI: 10.1103/PhysRevB.86.245117;15;0;0;0;15;1098-0121;WOS:000312445700002;;;J;Cheng, Ran;Niu, Qian;Electron dynamics in slowly varying antiferromagnetic texture;PHYSICAL REVIEW B;86;24;245118;10.1103/PhysRevB.86.245118;DEC 18 2012;2012;Adiabatic dynamics of conduction electrons in antiferromagnetic (AFM);materials with slowly varying spin texture is developed. Quite different;from the ferromagnetic (FM) case, adiabaticity in AFM texture does not;imply perfect alignment of conduction electron spins with background;profile, instead, it introduces an internal dynamics between degenerate;bands. As a result, the orbital motion of conduction electrons becomes;spin dependent and is affected by two emergent gauge fields: one of them;is the non-Abelian version of what has been discovered in FM systems;;the other leads to an anomalous velocity that has no FM counterpart. Two;examples with experimental predictions are provided. DOI:;10.1103/PhysRevB.86.245118;Niu, Qian/G-9908-2013; Cheng, Ran/M-9260-2014;Cheng, Ran/0000-0003-0166-2172;12;0;0;0;12;1098-0121;WOS:000312445700003;;;J;Cuadrado, R.;Chantrell, R. W.;Electronic and magnetic properties of bimetallic L1(0) cuboctahedral;clusters by means of fully relativistic density-functional-based;calculations;PHYSICAL REVIEW B;86;22;224415;10.1103/PhysRevB.86.224415;DEC 18 2012;2012;By means of density functional theory and the generalized gradient;approximation, we present a structural, electronic, and magnetic study;of FePt-, CoPt-, FeAu-, and FePd-based L1(0) ordered cuboctahedral;nanoparticles, with total numbers of atoms N-tot = 13, 55, 147. After a;conjugate gradient relaxation, the nanoparticles retain their L1(0);symmetry, but the small displacements of the atomic positions tune the;electronic and magnetic properties. The value of the total magnetic;moment stabilizes as the size increases. We also show that the magnetic;anisotropy energy (MAE) depends on the size as well as the position of;the Fe-atomic planes in the clusters. We address the influence on the;MAE of the surface shape, finding a small in-plane MAE for (Fe,;Co)(24)Pt-31 nanoparticles. DOI: 10.1103/PhysRevB.86.224415;7;0;0;0;7;1098-0121;WOS:000312445000002;;;J;Deisenhofer, J.;Schaile, S.;Teyssier, J.;Wang, Zhe;Hemmida, M.;von Nidda, H. -A. Krug;Eremina, R. M.;Eremin, M. V.;Viennois, R.;Giannini, E.;van der Marel, D.;Loidl, A.;Electron spin resonance and exchange paths in the orthorhombic dimer;system Sr2VO4;PHYSICAL REVIEW B;86;21;214417;10.1103/PhysRevB.86.214417;DEC 18 2012;2012;We report on susceptibility and electron spin resonance (ESR);measurements at X- and Q-band frequencies of Sr2VO4 with orthorhombic;symmetry. In this dimer system, the V4+ ions are in tetrahedral;environment and are coupled by an antiferromagnetic intradimer exchange;constant J/k(B) approximate to 100 K to form a singlet ground state;without any phase transitions between room temperature and 2 K. Based on;an extended Huckel tight-binding analysis, we identify the strongest;exchange interaction to occur between two inequivalent vanadium sites;via two intermediate oxygen ions. The ESR absorption spectra can be well;fitted by a single Lorentzian line and the temperature dependence of the;ESR intensity, and the dc susceptibility can be modeled by using the;Bleaney-Bowers approach for independent dimers. The temperature;dependence of the ESR linewidth at X-band frequency can be modeled by a;superposition of a linear increase with temperature with a slope alpha =;1.35 Oe/K and a thermally activated behavior with an activation energy;Delta/k(B) = 1418 K, both of which point to spin-phonon coupling as the;dominant relaxation mechanism in this compound.;Teyssier, Jeremie/A-6867-2013; Deisenhofer, Joachim/G-8937-2011;Deisenhofer, Joachim/0000-0002-7645-9390;3;0;0;0;3;1098-0121;WOS:000312444700001;;;J;Hsu, Chen-Hsuan;Wang, Zhiqiang;Chakravarty, Sudip;Spin dynamics of possible density wave states in the pseudogap phase of;high-temperature superconductors;PHYSICAL REVIEW B;86;21;214510;10.1103/PhysRevB.86.214510;DEC 18 2012;2012;In a recent inelastic neutron scattering experiment in the pseudogap;state of the high-temperature superconductor YBa2Cu3O6.6, an unusual;"vertical" dispersion of the spin excitations with a large in-plane;anisotropy was observed. In this paper, we discuss in detail the spin;susceptibility of the singlet d-density wave, the triplet d-density wave;as well as the more common spin density wave orders with hopping;anisotropies. From numerical calculations within the framework of random;phase approximation, we find nearly vertical dispersion relations for;spin excitations with anisotropic incommensurability at low energy omega;<= 90 meV, which are reminiscent of the experiments. At very high energy;omega >= 165 meV, we also find energy-dependent incommensurability.;Although there are some important differences between the three cases,;unpolarized neutron measurements cannot discriminate between these;alternate possibilities; the vertical dispersion, however, is a distinct;feature of all three density wave states in contrast to the;superconducting state, which shows an hour-glass shape dispersion.;0;0;0;0;0;1098-0121;WOS:000312444700003;;;J;Jain, S.;Schultheiss, H.;Heinonen, O.;Fradin, F. Y.;Pearson, J. E.;Bader, S. D.;Novosad, V.;Coupled vortex oscillations in mesoscale ferromagnetic double-disk;structures;PHYSICAL REVIEW B;86;21;214418;10.1103/PhysRevB.86.214418;DEC 18 2012;2012;Coupled resonance modes in connected ferromagnetic double-dot structures;have been investigated as a function of the overlap between the dots,;both experimentally and via micromagnetic simulations. An asymmetry is;observed in the frequency spectrum about zero field. Softening of the;magnetization during vortex core precession when the cores are near the;overlap region results in low-frequency modes and a splitting;corresponding to different polarity combinations. A range of vortex;resonance frequencies are identified that can be tuned by varying the;overlap area. This study provides insight into the control of the;dynamic response in coupled mesoscale magnetic structures.;Jain, Shikha/J-4734-2012; Novosad, Valentyn/C-2018-2014;7;0;0;0;7;1098-0121;WOS:000312444700002;;;J;Kim, Isaac H.;Perturbative analysis of topological entanglement entropy from;conditional independence;PHYSICAL REVIEW B;86;24;245116;10.1103/PhysRevB.86.245116;DEC 18 2012;2012;We use the structure of conditionally independent states to analyze the;stability of topological entanglement entropy. For the ground state of;the quantum double or Levin-Wen model, we obtain a bound on the;first-order perturbation of topological entanglement entropy in terms of;its energy gap and subsystem size. The bound decreases superpolynomially;with the size of the subsystem, provided the energy gap is nonzero. We;also study the finite-temperature stability of stabilizer models, for;which we prove a stronger statement than the strong subadditivity of;entropy. Using this statement and assuming (i) finite correlation length;and (ii) small conditional mutual information of certain configurations,;first-order perturbation effect for arbitrary local perturbation can be;bounded. We discuss the technical obstacles in generalizing these;results. DOI: 10.1103/PhysRevB.86.245116;4;0;0;0;4;1098-0121;WOS:000312445700001;;;J;Metelmann, A.;Brandes, T.;Transport through single-level systems: Spin dynamics in the;nonadiabatic regime;PHYSICAL REVIEW B;86;24;245317;10.1103/PhysRevB.86.245317;DEC 18 2012;2012;We investigate the Fano-Anderson model coupled to a large ensemble of;spins under the influence of an external magnetic field. The interaction;between the two spin systems is treated within a mean-field approach,;and we assume an anisotropic coupling between these two systems. By;using a nonadiabatic approach, we make no further approximations in the;theoretical description of our system, apart from the semiclassical;treatment. Therewith, we can include the short-time dynamics as well as;the broadening of the energy levels arising due to the coupling to the;external electronic reservoirs. We study the spin dynamics in the regime;of low and high bias. For the infinite bias case, we compare our results;to those obtained from a simpler rate equation approach, where;higher-order transitions are neglected. We show that these higher-order;terms are important in the range of low magnetic field. Additionally, we;analyze extensively the finite bias regime with methods from nonlinear;dynamics, and we discuss the possibility of switching of the large spin.;DOI: 10.1103/PhysRevB.86.245317;2;0;0;0;2;1098-0121;WOS:000312445700004;;;J;Nastar, M.;Soisson, F.;Atomistic modeling of phase transformations: Point-defect concentrations;and the time-scale problem;PHYSICAL REVIEW B;86;22;220102;10.1103/PhysRevB.86.220102;DEC 18 2012;2012;The time scale of diffusive phase transformations in alloys depends on;point-defect concentrations, which evolve with the microstructure. We;present a simple method that provides a physical time scale for;atomistic simulations of such transformations, even when performed with;constant point-defect numbers. It also gives an on-the-fly evaluation of;the real point-defect concentration, when equilibrium conditions are;fulfilled. The method is applied to kinetic Monte Carlo simulations of;precipitation in binary alloys occurring by vacancy diffusion. The;vacancy concentration is found to be very dependent on the difference in;formation energy between the matrix and the precipitates, and therefore;on the composition and volume fraction of these two phases. The effect;of the interface curvature, through a Gibbs-Thomson effect, is revealed.;A mean-field approximation is also developed for computing the;point-defect concentrations. Contrary to previous models, it takes into;account the short range order in nonideal and concentrated solutions.;Atomistic simulations and mean-field simulations are validated by direct;comparisons. DOI: 10.1103/PhysRevB.86.220102;soisson, frederic/B-2917-2009;soisson, frederic/0000-0001-6435-6119;6;0;0;0;6;1098-0121;WOS:000312445000001;;;J;Abd El-Fattah, Z. M.;Matena, M.;Corso, M.;Ormaza, M.;Ortega, J. E.;Schiller, F.;Modifying the Cu(111) Shockley surface state by Au alloying;PHYSICAL REVIEW B;86;24;245418;10.1103/PhysRevB.86.245418;DEC 17 2012;2012;The deposition of submonolayer amounts of Au onto Cu(111) results in a;Au-Cu surface alloy with temperature- and thickness-dependent;stoichiometry. Upon alloying, the characteristic Shockley state of;Cu(111) is modified, shifting to 0.53 eV binding energy for a particular;surface Au2Cu concentration, which is a very high binding energy for a;noble-metal surface. Based on a phase accumulation model analysis, we;discuss how this unusually large shift is likely reflecting an effective;increase in the topmost layer thickness of the order of, but smaller;than, the value expected from the moire undulation. DOI:;10.1103/PhysRevB.86.245418;CSIC-UPV/EHU, CFM/F-4867-2012; ortega, enrique/I-4445-2012; Corso, Martina/B-7768-2014; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000312365800013;;;J;Baledent, V.;Rullier-Albenque, F.;Colson, D.;Monaco, G.;Rueff, J. -P.;Stability of the Fe electronic structure through temperature-, doping-,;and pressure-induced transitions in the BaFe2As2 superconductors;PHYSICAL REVIEW B;86;23;235123;10.1103/PhysRevB.86.235123;DEC 17 2012;2012;We report on a survey of Fe electronic properties in the;temperature-pressure phase diagram of the Co-doped pnictides BaFe2As2;superconductors by hard x-ray absorption spectroscopy at the Fe K edge;in the high-resolution, partial fluorescence yield mode. The absorption;spectra are found remarkably stable through the temperature-induced;phase transitions while pressure leads to slight energy shift of the;main edge but not of the pre-edge. The latter effect is ascribed to the;lattice compression and band widening effects under pressure as;confirmed by multiple scattering simulations. Our results suggest that;from the Fe electronic structure point of view, doping and pressure are;equivalent ways to destabilize the magnetic phase to the advantage of;superconductivity. DOI: 10.1103/PhysRevB.86.235123;0;0;0;0;0;1098-0121;WOS:000312365200003;;;J;Bejas, Matias;Greco, Andres;Yamase, Hiroyuki;Possible charge instabilities in two-dimensional doped Mott insulators;PHYSICAL REVIEW B;86;22;224509;10.1103/PhysRevB.86.224509;DEC 17 2012;2012;Motivated by the growing evidence of the importance of charge;fluctuations in the pseudogap phase in high-temperature cuprate;superconductors, we apply a large-N expansion formulated in a path;integral representation of the two-dimensional t - J model on a square;lattice. We study all possible charge instabilities of the paramagnetic;state in leading order of the 1/N expansion. While the d-wave charge;density wave (flux phase) becomes the leading instability for various;choices of model parameters, we find that a d-wave Pomeranchuk;(electronic nematic phase) instability occurs as a next leading one. In;particular, the nematic state has a strong tendency to become;inhomogeneous. In the presence of a large second nearest-neighbor;hopping integral, the flux phase is suppressed and the electronic;nematic instability becomes leading in a high doping region. Besides;these two major instabilities, bond-order phases occur as weaker;instabilities close to half-filling. Phase separation is also detected;in a finite temperature region near half-filling. DOI:;10.1103/PhysRevB.86.224509;7;0;0;0;7;1098-0121;WOS:000312364700006;;;J;Chen, S. L.;Chen, W. M.;Buyanova, I. A.;Zeeman splitting and dynamics of an isoelectronic bound exciton near the;band edge of ZnO;PHYSICAL REVIEW B;86;23;235205;10.1103/PhysRevB.86.235205;DEC 17 2012;2012;Comprehensive time-resolved photoluminescence and magneto-optical;measurements are performed on a bound exciton (BX) line peaking at;3.3621 eV (labeled as I*). Though the energy position of I* lies within;the same energy range as that for donor bound exciton (DX) transitions,;its behavior in an applied magnetic field is found to be distinctly;different from that observed for DXs bound to either ionized or neutral;donors. An exciton bound to an isoelectronic center with a;hole-attractive local potential is shown to provide a satisfactory model;that can account for all experimental results of the I* transition. DOI:;10.1103/PhysRevB.86.235205;Chen, Weimin/J-4660-2012;Chen, Weimin/0000-0002-6405-9509;5;0;0;0;5;1098-0121;WOS:000312365200008;;;J;Chen, Zuhuang;Zou, Xi;Ren, Wei;You, Lu;Huang, Chuanwei;Yang, Yurong;Yang, Ping;Wang, Junling;Sritharan, Thirumany;Bellaiche, L.;Chen, Lang;Study of strain effect on in-plane polarization in epitaxial BiFeO3 thin;films using planar electrodes;PHYSICAL REVIEW B;86;23;235125;10.1103/PhysRevB.86.235125;DEC 17 2012;2012;Epitaxial strain plays an important role in determining physical;properties of perovskite ferroelectric oxide thin films because of the;inherent coupling between the strain and the polarization. However, it;is very challenging to directly measure properties such as polarization;in ultrathin strained films, using traditional sandwich capacitor;devices, because of high leakage current. Hence, a planar electrode;device with different crystallographical orientations between;electrodes, which is able to measure the polarization response with;different electric field orientation, is used successfully in this work;to directly measure the in-plane polarization-electric-field (P-E);hysteresis loops in fully strained thin films. We used BiFeO3 (BFO) as a;model system and measured in-plane P-E loops not only in the;rhombohedral-like (R-like) BFO thin films but also in largely strained;BFO films exhibiting the pure tetragonal-like (T-like) phase. The exact;magnitude and direction of the spontaneous polarization vector of the;T-like phase is deduced thanks to the collection of in-plane;polarization components along different orientations. It is also shown;that the polarization vector in the R-like phase of BiFeO3 is;constrained to lie within the (1 (1) over bar 10) plane and rotates from;the [111] towards the [001] pseudocubic direction when the compressive;strain is increased from zero. At high misfit strains such as -4.4%, the;pure T-like phase is obtained and its polarization vector is constrained;to lie in the (010) plane with a significantly large in-plane component,;similar to 44 mu C/cm(2). First-principles calculations are carried out;in parallel, and provide a good agreement with the experimental results.;DOI: 10.1103/PhysRevB.86.235125;CHEN, LANG/A-2251-2011; You, Lu/H-1512-2011; Ren, Wei/D-2081-2009; HUANG, CHUANWEI/F-9858-2011; WANG, Junling/B-3596-2009; Yang, Ping/C-5612-2008; Chen, Zuhuang/E-7131-2011; Sritharan, Thirumany/G-4890-2010;WANG, Junling/0000-0003-3663-7081; Chen, Zuhuang/0000-0003-1912-6490;;8;1;0;0;8;1098-0121;WOS:000312365200005;;;J;Croitoru, M. D.;Buzdin, A. I.;Extended Lawrence-Doniach model: The temperature evolution of the;in-plane magnetic field anisotropy;PHYSICAL REVIEW B;86;22;224508;10.1103/PhysRevB.86.224508;DEC 17 2012;2012;Using the quasiclassical formalism, we provide the description of the;temperature and field-direction dependence of the in-plane upper;critical field in layered superconductors, taking into account the;interlayer Josephson coupling and the paramagnetic spin splitting. We;generalize the Lawrence-Doniach model for the case of high magnetic;fields and show that the reentrant superconductivity is naturally;described by our formalism when neglecting the Pauli pair-breaking;effect. We demonstrate that in layered superconductors the in-plane;anisotropy of the onset of superconductivity exhibits four different;temperature regimes: from the Ginzburg-Landau type in the vicinity of;the critical temperature T-c0 with anisotropies of coherence lengths, up;to the Fulde-Ferell-Larkin-Ovchinnikov type induced by the strong;interference between the modulation vector and the orbital effect. Our;results are in agreement with the experimental measurements of the;field-angle dependence of the superconducting onset temperature of the;organic compound (TMTSF)(2)ClO4. DOI: 10.1103/PhysRevB.86.224508;Buzdin, Alexander/I-6038-2013; Croitoru, Mihail/J-9934-2014;Croitoru, Mihail/0000-0002-3014-8634;3;0;0;0;3;1098-0121;WOS:000312364700005;;;J;Dhital, Chetan;Abernathy, D. L.;Zhu, Gaohua;Ren, Zhifeng;Broido, D.;Wilson, Stephen D.;Inelastic neutron scattering study of phonon density of states in;nanostructured Si1-xGex thermoelectrics;PHYSICAL REVIEW B;86;21;214303;10.1103/PhysRevB.86.214303;DEC 17 2012;2012;Inelastic neutron scattering measurements are utilized to explore;relative changes in the generalized phonon density of states of;nanocrystalline Si1-xGex thermoelectric materials prepared via;ball-milling and hot-pressing techniques. Dynamic signatures of Ge;clustering can be inferred from the data by referencing the resulting;spectra to a density functional theoretical model assuming homogeneous;alloying via the virtual-crystal approximation. Comparisons are also;presented between as-milled Si nanopowder and bulk, polycrystalline Si;where a preferential low-energy enhancement and lifetime broadening of;the phonon density of states appear in the nanopowder. Negligible;differences are however observed between the phonon spectra of bulk Si;and hot-pressed, nanostructured Si samples suggesting that changes to;the single-phonon dynamics above 4 meV play only a secondary role in the;modified heat conduction of this compound.;BL18, ARCS/A-3000-2012; Abernathy, Douglas/A-3038-2012; Ren, Zhifeng/B-4275-2014;1;0;0;0;1;1098-0121;WOS:000312364200002;;;J;Farahani, S. K. Vasheghani;Veal, T. D.;Sanchez, A. M.;Bierwagen, O.;White, M. E.;Gorfman, S.;Thomas, P. A.;Speck, J. S.;McConville, C. F.;Influence of charged-dislocation density variations on carrier mobility;in heteroepitaxial semiconductors: The case of SnO2 on sapphire;PHYSICAL REVIEW B;86;24;245315;10.1103/PhysRevB.86.245315;DEC 17 2012;2012;In highly mismatched heteroepitaxial systems, the influence of carrier-;and dislocation-density variations on carrier mobility is revealed.;Transmission electronmicroscopy reveals the variation of dislocation;density through a series of SnO2 films grown by molecular-beam epitaxy;on sapphire substrates where the lattice mismatch exceeds 11%. A;layer-by-layer parallel conduction treatment of the carrier mobility in;SnO2 epilayers is used to illustrate the dominant role of the;depth-dependent dislocation density and charge profile in determining;the film-thickness dependence of the transport properties.;Thomas, Pam/G-3532-2010; Sanchez, Ana/F-3153-2010;Sanchez, Ana/0000-0002-8230-6059;0;0;0;0;0;1098-0121;WOS:000312365800009;;;J;Ferraz, Alvaro;Kochetov, Evgeny;Comment on "Fermi surface reconstruction in hole-doped t-J models;without long-range antiferromagnetic order";PHYSICAL REVIEW B;86;24;247103;10.1103/PhysRevB.86.247103;DEC 17 2012;2012;0;0;0;0;0;1098-0121;WOS:000312365800015;;;J;Frimmer, Martin;Koenderink, A. Femius;Superemitters in hybrid photonic systems: A simple lumping rule for the;local density of optical states and its breakdown at the unitary limit;PHYSICAL REVIEW B;86;23;235428;10.1103/PhysRevB.86.235428;DEC 17 2012;2012;We theoretically investigate how the enhancement of the radiative decay;rate of a spontaneous emitter provided by coupling to an optical antenna;is modified when this "superemitter" is introduced into a complex;photonic environment that provides an enhanced local density of optical;states (LDOS) itself, such as a microcavity or stratified medium. We;show that photonic environments with increased LDOS further boost the;performance of antennas that scatter weakly, for which a simple;multiplicative LDOS lumping rule holds. In contrast, enhancements;provided by antennas close to the unitary limit, i.e., close to the;limit of maximally possible scattering strength, are strongly reduced by;an enhanced LDOS of the environment. Thus, we identify multiple;scattering in hybrid photonic systems as a powerful mechanism for LDOS;engineering. DOI: 10.1103/PhysRevB.86.235428;Koenderink, A. Femius/A-3955-2008;Koenderink, A. Femius/0000-0003-1617-5748;7;0;0;0;7;1098-0121;WOS:000312365200011;;;J;Gasparinetti, S.;Kamleitner, I.;Coherent Cooper-pair pumping by magnetic flux control;PHYSICAL REVIEW B;86;22;224510;10.1103/PhysRevB.86.224510;DEC 17 2012;2012;We introduce and discuss a scheme for Cooper-pair pumping. The scheme;relies on the coherent transfer of a superposition of charge states;across a superconducting island and is realized by adiabatic;manipulation of magnetic fluxes. Differently from previous;implementations, it does not require any modulation of electrostatic;potentials. We find a peculiar dependence of the pumped charge on the;superconducting phase bias across the pump and that an arbitrarily large;amount of charge can be pumped in a single cycle when the phase bias is;pi. We explain these features and their relation to the adiabatic;theorem. DOI: 10.1103/PhysRevB.86.224510;Gasparinetti, Simone/C-2991-2014;Gasparinetti, Simone/0000-0002-7238-693X;3;0;0;0;3;1098-0121;WOS:000312364700007;;;J;Gu, B.;Ziman, T.;Maekawa, S.;Theory of the spin Hall effect, and its inverse, in a ferromagnetic;metal near the Curie temperature;PHYSICAL REVIEW B;86;24;241303;10.1103/PhysRevB.86.241303;DEC 17 2012;2012;We give a theory of the inverse spin Hall effect (ISHE) in ferromagnetic;metals based on skew scattering via collective spin fluctuations. This;extends Kondo's theory of the anomalous Hall effect (AHE) to include;short-range spin-spin correlations. We find a relation between the ISHE;and the four-spin correlations near the Curie temperature T-C. Such;four-spin correlations do not contribute to the AHE, which relates to;the three-spin correlations. Thus our theory shows an essential;difference between the AHE and ISHE, providing an essential complement;to Kondo's classic theory of the AHE in metals. We note the relation to;skew-scattering mechanisms based on impurity scattering. Our theory can;be compared to recent experimental results by Wei et al. [Nat. Commun.;3, 1058 (2012)] for the ISHE in ferromagnetic alloys. DOI:;10.1103/PhysRevB.86.241303;Gu, Bo/B-6145-2011;Gu, Bo/0000-0003-2216-8413;1;0;0;0;1;1098-0121;WOS:000312365800003;;;J;Guedes, E. B.;Abbate, M.;Ishigami, K.;Fujimori, A.;Yoshimatsu, K.;Kumigashira, H.;Oshima, M.;Vicentin, F. C.;Fonseca, P. T.;Mossanek, R. J. O.;Core level and valence band spectroscopy of SrRuO3: Electron correlation;and covalence effects;PHYSICAL REVIEW B;86;23;235127;10.1103/PhysRevB.86.235127;DEC 17 2012;2012;We studied the electronic structure of SrRuO3 using several;spectroscopic techniques. These include ( resonant) photoemission, x-ray;absorption, and optical conductivity. The experimental results were;interpreted using an extended cluster model, which takes into account;electron correlation and the Ru 4d-O 2p covalence. The analysis shows;that this material is in the negative charge transfer regime, where the;ground state is dominated by the 4d(5) (L) under bar configuration with;an occupation of 47%. This is mainly due to the relatively large crystal;field and exchange splitting in the Ru 4d states. The electronic;structure of SrRuO3 is strongly influenced by the Ru 4d-O 2p;hybridization. Thus, the oxygen states should be explicitly considered;in the analysis of the physical properties of this system. However,;correlation effects are also important in this system giving rise to the;coherent peak in the valence band spectra. DOI:;10.1103/PhysRevB.86.235127;Mossanek, Rodrigo /E-8113-2010;1;0;0;0;1;1098-0121;WOS:000312365200007;;;J;Gull, E.;Millis, A. J.;Energetics of superconductivity in the two-dimensional Hubbard model;PHYSICAL REVIEW B;86;24;241106;10.1103/PhysRevB.86.241106;DEC 17 2012;2012;The energetics of the interplay between superconductivity and the;pseudogap in high-temperature superconductivity is examined using the;eight-site dynamical cluster approximation to the two-dimensional;Hubbard model. Two regimes of superconductivity are found: a;weak-coupling/large-doping regime in which the onset of;superconductivity causes a reduction in potential energy and an increase;in kinetic energy, and a strong-coupling regime in which;superconductivity is associated with an increase in potential energy and;a decrease in kinetic energy. The crossover between the two regimes is;found to coincide with the boundary of the normal-state pseudogap,;providing further evidence of the unconventional nature of;superconductivity in the pseudogap regime. However, the absence, in the;strongly correlated but nonsuperconducting state, of discernibly;nonlinear response to an applied pairing field suggests that resonating;valence bond physics is not the origin of the kinetic-energy driven;superconductivity. DOI: 10.1103/PhysRevB.86.241106;Gull, Emanuel/A-2362-2010;Gull, Emanuel/0000-0002-6082-1260;10;1;0;0;10;1098-0121;WOS:000312365800001;;;J;Hiltscher, Bastian;Governale, Michele;Koenig, Juergen;ac Josephson transport through interacting quantum dots;PHYSICAL REVIEW B;86;23;235427;10.1103/PhysRevB.86.235427;DEC 17 2012;2012;We investigate the ac Josephson current through a quantum dot with;strong Coulomb interaction attached to two superconducting and one;normal lead. To this end, we perform a perturbation expansion in the;tunneling couplings within a diagrammatic real-time technique. The ac;Josephson current is connected to the reduced density matrix elements;that describe superconducting correlations induced on the quantum dot;via proximity effect. We analyze the dependence of the ac signal on the;level position of the quantum dot, the charging energy, and the applied;bias voltages. DOI: 10.1103/PhysRevB.86.235427;2;0;0;0;2;1098-0121;WOS:000312365200010;;;J;Kambe, Takashi;He, Xuexia;Takahashi, Yosuke;Yamanari, Yusuke;Teranishi, Kazuya;Mitamura, Hiroki;Shibasaki, Seiji;Tomita, Keitaro;Eguchi, Ritsuko;Goto, Hidenori;Takabayashi, Yasuhiro;Kato, Takashi;Fujiwara, Akihiko;Kariyado, Toshikaze;Aoki, Hideo;Kubozono, Yoshihiro;Synthesis and physical properties of metal-doped picene solids;PHYSICAL REVIEW B;86;21;214507;10.1103/PhysRevB.86.214507;DEC 17 2012;2012;We report electronic-structure and physical properties of metal-doped;picene as well as selective synthesis of the phase that exhibits 18-K;superconducting transition. First, Raman scattering is used to;characterize the number of electrons transferred from the dopants to;picene molecules, where a softening of Raman scattering peaks enables us;to determine the number of transferred electrons. From this, we have;identified that three electrons are transferred to each picene molecule;in the superconducting doped picene solids. Second, we report pressure;dependence of T-c in 7- and 18-K phases of K(3)picene. The 7-K phase;shows a negative pressure dependence, while the 18-K phase exhibits a;positive pressure dependence which can not be understood with a simple;phonon mechanism of BCS superconductivity. Third, we report a synthesis;method for superconducting K(3)picene by a solution process with;monomethylamine CH3NH2. This method enables us to prepare selectively;the K(3)picene sample exhibiting 18-K superconducting transition. The;method for preparing K(3)picene with T-c = 18 K found here may;facilitate clarification of the mechanism of superconductivity.;Takabayashi, Yasuhiro/A-5014-2013; EGUCHI, Ritsuko/H-4129-2011; Aoki, Hideo/A-2525-2009; KUBOZONO, Yoshihiro/B-2091-2011; KAMBE, Takashi/B-2117-2011;Takabayashi, Yasuhiro/0000-0002-3493-2194; Aoki,;Hideo/0000-0002-7332-9355;;14;0;0;0;14;1098-0121;WOS:000312364200006;;;J;Kandpal, Hem C.;Koepernik, Klaus;Richter, Manuel;Strong magnetic anisotropy of chemically bound Co dimers in a graphene;sheet;PHYSICAL REVIEW B;86;23;235430;10.1103/PhysRevB.86.235430;DEC 17 2012;2012;The magnetism of cobalt atoms and dimers bound by single vacancies in a;graphene sheet is investigated by means of relativistic density;functional calculations. In both cases, local magnetic moments are;formed despite strong chemical binding. While orbital magnetism is;suppressed in the Co atoms, magnetic bistability with an anisotropy;barrier of about 50 meV is possible in the chemically bound Co dimers.;The feasibility of their preparation is demonstrated and a general;construction principle for similar (sub-)nanometer size magnets is;proposed. DOI: 10.1103/PhysRevB.86.235430;3;0;0;0;3;1098-0121;WOS:000312365200013;;;J;Kawai, Shigeki;Glatzel, Thilo;Such, Bartosz;Koch, Sascha;Baratoff, Alexis;Meyer, Ernst;Energy dissipation in dynamic force microscopy on KBr(001) correlated;with atomic-scale adhesion phenomena;PHYSICAL REVIEW B;86;24;245419;10.1103/PhysRevB.86.245419;DEC 17 2012;2012;Atomic-scale adhesion phenomena between KBr tip and sample were studied;by dynamic force spectroscopy with a small amplitude of down to 285 pm;at room temperature. The high-resonance frequency of the second flexural;mode of a silicon cantilever (approximate to 1 MHz) suppresses an;apparent dissipation energy caused by undesirable mechanical couplings;in between the cantilever and the dither piezo actuator. Further, the;Joule heating dissipation contribution and the noise-equivalent;dissipation energy were reduced by setting a smaller amplitude. Usage of;a high resonance frequency and a smaller amplitude enables us to perform;highly sensitive measurements of the atomic-scale adhesion and the;tip-instability-related energy dissipation. Tip changes, caused by;tip-sample interactions and thermal energy, resulted in three different;dissipation energy levels (Delta E-ts approximate to 25 meV/cycle). This;infrequent change of the tip apex condition often prevents a stable;imaging with small amplitude. Our systematic measurement shows that the;atomic adhesion is caused mainly in the tip itself, and a sharper and;softer tip induced a larger energy dissipation. DOI:;10.1103/PhysRevB.86.245419;Glatzel, Thilo/F-2639-2011; Kawai, Shigeki/C-8517-2012;2;0;0;0;2;1098-0121;WOS:000312365800014;;;J;Kim, Younghyun;Cano, Jennifer;Nayak, Chetan;Majorana zero modes in semiconductor nanowires in contact with;higher-T-c superconductors;PHYSICAL REVIEW B;86;23;235429;10.1103/PhysRevB.86.235429;DEC 17 2012;2012;We analyze the prospects for stabilizing Majorana zero modes in;semiconductor nanowires that are proximity coupled to higher-temperature;superconductors. We begin with the case of iron pnictides which, though;they are s-wave superconductors, are believed to have superconducting;gaps that change sign. We then consider the case of cuprate;superconductors. We show that a nanowire on a steplike surface,;especially in an orthorhombic material such as YBCO, can support;Majorana zero modes at an elevated temperature. DOI:;10.1103/PhysRevB.86.235429;1;0;0;0;1;1098-0121;WOS:000312365200012;;;J;Kovylina, Miroslavna;Morales, Rafael;Labarta, Amilcar;Batlle, Xavier;Magnetization reversal in Ni/FeF2 heterostructures with the coexistence;of positive and negative exchange bias;PHYSICAL REVIEW B;86;22;224414;10.1103/PhysRevB.86.224414;DEC 17 2012;2012;Magnetization reversal mechanisms are studied in Ni/FeF2;heterostructures with the coexistence of positive and negative exchanged;bias (PEB/NEB), showing single and double hysteresis loops (DHL) in;magnetoresistance measurements. Micromagnetic simulations show that PEB;and NEB domains of a minimum critical size must be introduced in order;to reproduce the occurrence of DHLs. The simulations reveal that;different magnetic configurations and, hence, different magnetization;reversal processes take place in a ferromagnet (FM) on top of minority;PEB domains that are either greater or smaller than the critical size.;In particular, for the case of DHLs, core reversal of a depthwise domain;wall is observed over minority PEB domains when the magnetic field is;decreased from positive saturation. As the field is further decreased, a;complex domain-wall evolution takes place in the FM, including the;dependences of the domain-wall width and domain size on the magnetic;field and distance from the antiferromagnet (AF). These effects should;be taken into account when the domain size is estimated from data;measured by depth-dependent techniques since they average the;distribution of domain sizes in the FM for different distances from the;AF. DOI: 10.1103/PhysRevB.86.224414;Labarta, Amilcar/B-4539-2012; Batlle, Xavier/H-5795-2012;Labarta, Amilcar/0000-0003-0904-4678;;2;0;0;0;2;1098-0121;WOS:000312364700004;;;J;Kuga, Kentaro;Morrison, Gregory;Treadwell, LaRico;Chan, Julia Y.;Nakatsuji, Satoru;Magnetic order induced by Fe substitution of Al site in the;heavy-fermion systems alpha-YbAlB4 and beta-YbAlB4;PHYSICAL REVIEW B;86;22;224413;10.1103/PhysRevB.86.224413;DEC 17 2012;2012;beta-YbAlB4 is a heavy-fermion superconductor that exhibits a quantum;criticality without tuning at zero field and under ambient pressure. We;have succeeded in substituting Fe for Al in beta-YbAlB4 as well as the;polymorphous compound alpha-YbAlB4, which in contrast has a heavy;Fermi-liquid ground state. Full structure determination by;single-crystal x-ray diffraction confirmed no change in crystal;structure for both alpha- and beta-YbAlB4, in addition to volume;contraction with Fe substitution. Our measurements of the magnetization;and specific heat indicate that both alpha-YbAl0.93Fe0.07B4 and;beta-YbAl0.94Fe0.06B4 exhibit a magnetic order, most likely of a canted;antiferromagnetic type, at 7 similar to 9 K. The increase in the entropy;as well as the decrease in the antiferromagnetic Weiss temperature with;the Fe substitution in both systems indicates that the chemical pressure;due to the Fe substitution suppresses the Kondo temperature and induces;the magnetism. DOI: 10.1103/PhysRevB.86.224413;Chan, Julia/C-5392-2008;2;0;0;0;2;1098-0121;WOS:000312364700003;;;J;Lee, Yu-Wen;Lee, Yu-Li;Chung, Chung-Hou;Nonequilibrium noise correlations in a point contact of helical edge;states;PHYSICAL REVIEW B;86;23;235121;10.1103/PhysRevB.86.235121;DEC 17 2012;2012;We investigate theoretically the nonequilibrium finite-frequency current;noise in a four-terminal quantum point contact of interacting helical;edge states at a finite bias voltage. Special focus is put on the;effects of the single-particle and two-particle scattering between the;two helical edge states on the fractional charge quasiparticle;excitations shown in the nonequilibrium current noise spectra. Via the;Keldysh perturbative approach, we find that the effects of the;single-particle and the two-particle scattering processes on the current;noise depend sensitively on the Luttinger liquid parameter. Moreover,;the Fano factors for the auto-and cross correlations of the currents in;the terminals are distinct from the ones for tunneling between the;chiral edge states in the quantum Hall liquid. The current noise spectra;in the single-particle-scattering-dominated and the;two-particle-scattering-dominated regime are shown. Experimental;implications of our results on the transport through the helical edges;in two-dimensional topological insulators are discussed. DOI:;10.1103/PhysRevB.86.235121;6;0;0;0;6;1098-0121;WOS:000312365200001;;;J;Leppert, L.;Albuquerque, R. Q.;Kuemmel, S.;Gold-platinum alloys and Vegard's law on the nanoscale;PHYSICAL REVIEW B;86;24;241403;10.1103/PhysRevB.86.241403;DEC 17 2012;2012;The structure of gold-platinum nanoparticles is heavily debated as;theoretical calculations predict core-shell particles, whereas x-ray;diffraction experiments frequently detect randomly mixed alloys. By;calculating the structure of gold-platinum nanoparticles with diameters;of up to approximate to 3.5 nm and simulating their x-ray diffraction;patterns, we show that these seemingly opposing findings need not be in;contradiction: Shells of gold are hardly visible in usual x-ray;scattering, and the interpretation of Vegard's law is ambiguous on the;nanoscale. DOI: 10.1103/PhysRevB.86.241403;Albuquerque, Rodrigo/A-8433-2013; Kummel, Stephan/K-5634-2014;4;0;0;0;4;1098-0121;WOS:000312365800004;;;J;Lin, Chien-Hung;Sau, Jay D.;Das Sarma, S.;Zero-bias conductance peak in Majorana wires made of;semiconductor/superconductor hybrid structures;PHYSICAL REVIEW B;86;22;224511;10.1103/PhysRevB.86.224511;DEC 17 2012;2012;Motivated by a recent experimental report Mourik et al. [Science 336,;1003 (2012)] claiming the likely observation of the Majorana mode in a;semiconductor-superconductor hybrid structure, we study theoretically;the dependence of the zero-bias conductance peak associated with the;zero-energy Majorana mode in the topological superconducting phase as a;function of temperature, tunnel barrier potential, and a magnetic field;tilted from the direction of the wire for realistic wires of finite;lengths. We find that higher temperatures and tunnel barriers as well as;a large magnetic field in the direction transverse to the wire length;could very strongly suppress the zero- bias conductance peak as observed;in recent experiments. We also show that a strong magnetic field along;the wire could eventually lead to the splitting of the zero bias peak;into a doublet with the doublet energy splitting oscillating as a;function of increasing magnetic field. Our results based on the standard;theory of topological superconductivity in a semiconductor hybrid;structure in the presence of proximity-induced superconductivity,;spin-orbit coupling, and Zeeman splitting show that the recently;reported experimental data are generally consistent with the existing;theory that led to the predictions for the existence of the Majorana;modes in the semiconductor hybrid structures in spite of some apparent;anomalies in the experimental observations at first sight. We also make;a prediction for the future observation of Majorana splitting in finite;wires used in the experiments. DOI: 10.1103/PhysRevB. 86.224511;Das Sarma, Sankar/B-2400-2009;22;0;1;0;22;1098-0121;WOS:000312364700008;;;J;Marchal, R.;Boyko, O.;Bonello, B.;Zhao, J.;Belliard, L.;Oudich, M.;Pennec, Y.;Djafari-Rouhani, B.;Dynamics of confined cavity modes in a phononic crystal slab;investigated by in situ time-resolved experiments;PHYSICAL REVIEW B;86;22;224302;10.1103/PhysRevB.86.224302;DEC 17 2012;2012;The confinement of elastic waves within a single defect in a phononic;crystal slab is investigated both experimentally and theoretically. The;structure is formed by a honeycomb lattice of air holes in a silicon;plate with one hole missing in its center. The frequencies and;polarizations of the localized modes in the first band gap are computed;with a finite element method. A noncontact laser ultrasonic technique is;used both to excite flexural Lamb waves and to monitor in situ the;displacement field within the cavity. We report on the time evolution of;confinement, which is distinct according to the symmetry of the;eigenmode. DOI: 10.1103/PhysRevB.86.224302;3;0;0;0;3;1098-0121;WOS:000312364700002;;;J;Martinez, Enrique;Senninger, Oriane;Fu, Chu-Chun;Soisson, Frederic;Decomposition kinetics of Fe-Cr solid solutions during thermal aging;PHYSICAL REVIEW B;86;22;224109;10.1103/PhysRevB.86.224109;DEC 17 2012;2012;The decomposition of Fe-Cr solid solutions during thermal aging is;modeled by atomistic kinetic Monte Carlo simulations, using a rigid;lattice approximation with pair interactions that depend on the local;composition and temperature. The pair interactions are fitted on ab;initio calculations of mixing energies and vacancy migration barriers at;0 K. The entropic contributions to the mixing of Fe-Cr alloys and to the;vacancy formation and migration free energies are taken into account.;The model reproduces the change in sign of the mixing energy with the;alloy composition and gives realistic thermodynamic and kinetic;properties, including an asymmetrical miscibility gap at low temperature;and diffusion coefficients in good agreement with available experimental;data. Simulations of short-range ordering and alpha-alpha' decomposition;are performed at 773 and 813 K for Cr concentrations between 10% and;50%. They are compared with experimental kinetics based on;three-dimensional atom probe and neutron scattering measurements. The;possible effect of magnetic properties on diffusion in the alpha and;alpha' phases, and therefore on the decomposition kinetics, is;emphasized. DOI: 10.1103/PhysRevB.86.224109;soisson, frederic/B-2917-2009; Lujan Center, LANL/G-4896-2012;soisson, frederic/0000-0001-6435-6119;;6;0;0;0;6;1098-0121;WOS:000312364700001;;;J;Moon, Eun-Gook;Xu, Cenke;Exotic continuous quantum phase transition between Z(2) topological spin;liquid and Neel order;PHYSICAL REVIEW B;86;21;214414;10.1103/PhysRevB.86.214414;DEC 17 2012;2012;Recent numerical simulations with different techniques have all;suggested the existence of a continuous quantum phase transition between;the Z(2) topological spin-liquid phase and a conventional Neel order.;Motivated by this numerical progress, we propose a candidate theory for;such Z(2)-Neel transition. We first argue on general grounds that, for a;SU(2)-invariant system, this transition can not be interpreted as the;condensation of spinons in the Z(2) spin-liquid phase. Then, we propose;that such Z(2)-Neel transition is driven by proliferating the bound;state of the bosonic spinon and vison excitation of the Z(2) spin;liquid, i.e., the so-called (e, m)-type excitation. Universal critical;exponents associated with this exotic transition are computed using 1/N;expansion. This theory predicts that at the Z(2)-Neel transition, there;is an emergent quasi-long-range power-law correlation of columnar;valence bond solid order parameter.;6;0;0;0;6;1098-0121;WOS:000312364200003;;;J;Moskvin, A. S.;Gippius, A. A.;Tkachev, A. V.;Mahajan, A. V.;Chakrabarty, T.;Presniakov, I. A.;Sobolev, A. V.;Demazeau, G.;Direct evidence of non-Zhang-Rice Cu3+ centers in La2Li0.5Cu0.5O4;PHYSICAL REVIEW B;86;24;241107;10.1103/PhysRevB.86.241107;DEC 17 2012;2012;A well-isolated Zhang-Rice (ZR) singlet as a ground state of the Cu3+;center in hole-doped cuprates is a leading paradigm in modern theories;of high-temperature superconductivity. However, a dramatic temperature;evolution of the Li-6,Li-7 NMR signal in La2Li0.5Cu0.5O4, a system with;a regular lattice of well-isolated Cu3+ centers, reveals significant;magnetic fluctuations and suggests a quasidegeneracy to be a generic;property of their ground state at variance with the simple ZR model. We;argue for a competition of the ZR state with nearby states formed by a;"doped" hole occupying purely oxygen nonbonding a(2g)(pi) and e(u)(pi);orbitals rather than a conventional b(1g)(d(x2-y2))Cu 3d-O 2p hybrid.;The temperature variation of the Li-6,Li-7 NMR line shape and;spin-lattice relaxation rate point to a gradual slowing down of some;magnetic order parameter's fluctuations without distinct signatures of a;phase transition down to T = 2 K. This behavior agrees with a stripelike;ferrodistortive fluctuating Ammm order in a two-dimensional structure of;the (CuLi)O-2 planes accompanied by unconventional oxygen orbital;antiferromagnetic fluctuations. DOI: 10.1103/PhysRevB.86.241107;Gippius, Andrey/D-1139-2010; Sobolev, Alexey/C-3832-2009;Sobolev, Alexey/0000-0002-8085-5425;0;0;0;0;0;1098-0121;WOS:000312365800002;;;J;Nguyen, P. D.;Kepaptsoglou, D. M.;Erni, R.;Ramasse, Q. M.;Olsen, A.;Quantum confinement of volume plasmons and interband transitions in;germanium nanocrystals;PHYSICAL REVIEW B;86;24;245316;10.1103/PhysRevB.86.245316;DEC 17 2012;2012;The plasmonic properties of individual quantum-sized Ge nanocrystals;(NCs) were observed and systematically analyzed by aberration-corrected;scanning transmission electron microscopy (STEM) and electron energy;loss spectroscopy (EELS). For this purpose, Ge NCs embedded in an SiO2;matrix with controllable size, density, and structure were fabricated;using magnetron sputtering. The size dependence of the Ge plasmon;energies in the size range of 5-9 nm is shown to be well depicted by the;so-called medium quantum confinement (QC) model, with an effective mass;of 0.57m(0) (contrary to expectations of a stronger quantum effect). In;the very low-loss region of the EEL spectra, an apparent blue shift of;the E-2 interband transition peak up to 2 eV and a strong reduction in;the oscillator strength were measured for the NCs in the size range of;4-6 nm. It indicates for this smaller size range a transition to a QC;regime where the band structure and the density of states are modified;dramatically. These trends are explained by a combination of low-loss;and core-loss EELS results, which show that the Ge NCs are surrounded;uniformly by nearly stoichiometric SiO2. This local chemistry is shown;to provide an infinite potential barrier and to confine electrons and;holes in the spherically shaped Ge NCs. In addition to pure QC effects;in the Ge NCs, the SiO2 matrix thus plays an important role in the;strength of the observed QC and interband transitions. DOI:;10.1103/PhysRevB.86.245316;2;0;0;0;2;1098-0121;WOS:000312365800010;;;J;Roedl, Claudia;Bechstedt, Friedhelm;Optical and energy-loss spectra of the antiferromagnetic transition;metal oxides MnO, FeO, CoO, and NiO including quasiparticle and;excitonic effects;PHYSICAL REVIEW B;86;23;235122;10.1103/PhysRevB.86.235122;DEC 17 2012;2012;We calculate the frequency-dependent dielectric function for the series;of antiferromagnetic transition metal oxides (TMOs) from MnO to NiO;using many-body perturbation theory. Quasiparticle, excitonic, and;local-field effects are taken into account by solving the Bethe-Salpeter;equation in the framework of collinear spin polarization. The optical;spectra are based on electronic structures which have been obtained;using density-functional theory with a hybrid functional containing;screened exchange (HSE03) and a subsequent quasiparticle calculation in;the GW approximation to describe exchange and correlation effects;adequately. These sophisticated quasiparticle band structures are mapped;to electronic structures resulting from the computationally less;expensive GGA + U + Delta scheme that includes an on-site interaction U;and a scissors shift Delta and allows us to calculate the large number;of electronic states that is necessary to construct the Bethe-Salpeter;Hamiltonian. For an accurate description of the optical spectra, an;appropriate treatment of the strong electron-hole attraction is;mandatory to obtain agreement with the experimentally observed;absorption-peak positions. The itinerant s and p states as well as the;localized transition metal 3d states have to be considered on an equal;footing. We find that a purely atomic picture is not suitable to;understand the optical absorption spectra of the TMOs. Reflectivity;spectra, absorption coefficients, and loss functions at vanishing;momentum transfer are computed in a wide spectral range and discussed in;light of the available experimental data. DOI:;10.1103/PhysRevB.86.235122;8;1;0;0;8;1098-0121;WOS:000312365200002;;;J;Schlickeiser, F.;Atxitia, U.;Wienholdt, S.;Hinzke, D.;Chubykalo-Fesenko, O.;Nowak, U.;Temperature dependence of the frequencies and effective damping;parameters of ferrimagnetic resonance;PHYSICAL REVIEW B;86;21;214416;10.1103/PhysRevB.86.214416;DEC 17 2012;2012;Recent experiments on all-optical switching in GdFeCo and CoGd have;raised the question about the importance of the angular momentum or the;magnetization compensation point for ultrafast magnetization dynamics.;We investigate the dynamics of ferrimagnets by means of computer;simulations as well as analytically. The results from atomistic modeling;are explained by a theory based on the two-sublattice;Landau-Lifshitz-Bloch equation. Similarly to the experimental results;and unlike predictions based on the macroscopic Landau-Lifshitz;equation, we find an increase in the effective damping at temperatures;approaching the Curie temperature. Further results for the temperature;dependence of the frequencies and effective damping parameters of the;normal modes represent an improvement of former approximated solutions,;building a better basis for comparison to recent experiments.;Atxitia, Unai/A-8870-2010;4;0;0;0;4;1098-0121;WOS:000312364200005;;;J;Smith, R. F.;Minich, R. W.;Rudd, R. E.;Eggert, J. H.;Bolme, C. A.;Brygoo, S. L.;Jones, A. M.;Collins, G. W.;Orientation and rate dependence in high strain-rate compression of;single-crystal silicon;PHYSICAL REVIEW B;86;24;245204;10.1103/PhysRevB.86.245204;DEC 17 2012;2012;High strain-rate ((epsilon)over dot similar to 10(6)-10(9) s(-1));compression of single crystal Si reveals strong orientation- and;rate-dependent precursor stresses. At these high compression rates, the;peak elastic stress, sigma(E_Peak), for Si [100], [110], and [111];exceeds twice the Hugoniot elastic limit. Near the loading surface, the;rate at which Si evolves from uniaxial compression to a;three-dimensional relaxed state is exponentially dependent on;sigma(E_Peak) and independent of initial crystal orientation. At later;times, the high elastic wave speed results in a temporal decoupling of;the elastic precursor from the main inelastic wave. A rapid;high-(epsilon)over dot increase in the measured elastic stress at the;onset of inelastic deformation is consistent with a transition from;dislocation flow mediated by thermal activation to a phonon drag regime.;DOI: 10.1103/PhysRevB.86.245204;3;0;0;0;3;1098-0121;WOS:000312365800006;;;J;Svensson, S. P.;Sarney, W. L.;Hier, H.;Lin, Y.;Wang, D.;Donetsky, D.;Shterengas, L.;Kipshidze, G.;Belenky, G.;Band gap of InAs1-xSbx with native lattice constant;PHYSICAL REVIEW B;86;24;245205;10.1103/PhysRevB.86.245205;DEC 17 2012;2012;The band gap energy of the alloy InAsSb has been studied as a function;of composition with special emphasis on minimization of strain-induced;artifacts. The films were grown by molecular beam epitaxy on GaSb;substrates with compositionally graded buffer layers that were designed;to produce strain-free films. The compositions were precisely determined;by high-resolution x-ray diffraction. Evidence for weak, long-range,;group-V ordering was detected in materials exhibiting residual strain;and relaxation. In contrast, unstrained films having the nondistorted;cubic form showed no evidence of group-V ordering. The photoluminescence;(PL) peak positions therefore corresponds to the inherent band gap of;unstrained, unrelaxed, InAsSb. PL peaks were recorded for compositions;up to 46% Sb, reaching a peak wavelength of 10.3 mu m, observed under;low excitation at T = 13 K. The alloy band gap energies determined from;PL maxima are described with a bowing parameter of 0.87 eV, which is;significantly larger than measured for InAsSb in earlier work. The;sufficiently large bowing parameter and the ability to grow the alloys;without ordering allows direct band gap InAsSb to be a candidate;material for low-temperature long-wavelength infrared detector;applications. DOI: 10.1103/PhysRevB.86.245205;8;0;0;0;8;1098-0121;WOS:000312365800007;;;J;Thirupathaiah, S.;Evtushinsky, D. V.;Maletz, J.;Zabolotnyy, V. B.;Kordyuk, A. A.;Kim, T. K.;Wurmehl, S.;Roslova, M.;Morozov, I.;Buechner, B.;Borisenko, S. V.;Weak-coupling superconductivity in electron-doped NaFe0.95Co0.05As;revealed by ARPES;PHYSICAL REVIEW B;86;21;214508;10.1103/PhysRevB.86.214508;DEC 17 2012;2012;We report a systematic study on the electronic structure and;superconducting (SC) gaps in electron-doped NaFe0.95Co0.05As;superconductor using angle-resolved photoemission spectroscopy. Holelike;Fermi sheets are at the zone center and electronlike Fermi sheets are at;the zone corner, and are mainly contributed by xz and yz orbital;characters. Our results reveal a Delta/KBTc in the range of 1.8-2.1,;suggesting a weak-coupling superconductivity in these compounds. Gap;closing above the transition temperature (T-c) shows the absence of;pseudogaps. Gap evolution with temperature follows the BCS gap equation;near the Gamma, Z, and M high symmetry points. Furthermore, an almost;isotropic superconductivity along the k(z) direction in the momentum;space is observed by varying the excitation energies.;Wurmehl, Sabine/A-5872-2009; Morozov, Igor/C-4329-2011; Borisenko, Sergey/G-6743-2012; Roslova, Maria/F-7352-2013;Borisenko, Sergey/0000-0002-5046-4829;;6;0;0;0;6;1098-0121;WOS:000312364200007;;;J;Tsuda, Kenji;Sano, Rikiya;Tanaka, Michiyoshi;Nanoscale local structures of rhombohedral symmetry in the orthorhombic;and tetragonal phases of BaTiO3 studied by convergent-beam electron;diffraction;PHYSICAL REVIEW B;86;21;214106;10.1103/PhysRevB.86.214106;DEC 17 2012;2012;The symmetries of the rhombohedral, orthorhombic, and tetragonal phases;of barium titanate (BaTiO3) are investigated using convergent-beam;electron diffraction. Nanometer-sized local structures with rhombohedral;symmetry are observed in both the orthorhombic and tetragonal phases.;This indicates that an order-disorder character exists in phase;transformations of BaTiO3. The nanostructures in these phases are;discussed in terms of an order-disorder model with off-centered Ti in;the < 111 > directions.;6;0;0;0;6;1098-0121;WOS:000312364200001;;;J;Ulstrup, Soren;Frederiksen, Thomas;Brandbyge, Mads;Nonequilibrium electron-vibration coupling and conductance fluctuations;in a C-60 junction;PHYSICAL REVIEW B;86;24;245417;10.1103/PhysRevB.86.245417;DEC 17 2012;2012;We investigate chemical bond formation and conductance in a molecular;C-60 junction under finite bias voltage using first-principles;calculations based on density functional theory and nonequilibrium;Green's functions (DFT-NEGF). At the point of contact formation we;identify a remarkably strong coupling between the C-60 motion and the;molecular electronic structure. This is only seen for positive sample;bias, although the conductance itself is not strongly polarity;dependent. The nonequilibrium effect is traced back to a sudden shift in;the position of the voltage drop with a small C-60 displacement.;Combined with a vibrational heating mechanism we construct a model from;our results that explain the polarity-dependent two-level conductance;fluctuations observed in recent scanning tunneling microscopy (STM);experiments [N. Neel et al., Nano Lett. 11, 3593 (2011)]. These findings;highlight the significance of nonequilibrium effects in chemical bond;formation/breaking and in electron-vibration coupling in molecular;electronics. DOI: 10.1103/PhysRevB.86.245417;Frederiksen, Thomas/D-3545-2011; Brandbyge, Mads/C-6095-2008; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;Frederiksen, Thomas/0000-0001-7523-7641;;4;0;0;0;4;1098-0121;WOS:000312365800012;;;J;Urdaniz, M. C.;Barral, M. A.;Llois, A. M.;Magnetic exchange coupling in 3d-transition-metal atomic chains adsorbed;on Cu2N/Cu(001);PHYSICAL REVIEW B;86;24;245416;10.1103/PhysRevB.86.245416;DEC 17 2012;2012;Covalent substrates can give rise to a variety of magnetic interaction;mechanisms among adsorbed transition-metal atoms building atomic;nanostructures. We show this by calculating the ground state magnetic;configuration of monoatomic 3d chains deposited on a monolayer of Cu2N;grown on Cu(001) as a function of d filling and of adsorption sites of;these nanostructures. DOI: 10.1103/PhysRevB.86.245416;1;0;0;0;1;1098-0121;WOS:000312365800011;;;J;Vaz, Eduardo;Kyriakidis, Jordan;Resonant regimes in the Fock-space coherence of multilevel quantum dots;PHYSICAL REVIEW B;86;23;235310;10.1103/PhysRevB.86.235310;DEC 17 2012;2012;The coherence between quantum states with different particle numbers-the;Fock-space coherence-qualitatively differs from the more common;Hilbert-space coherence between states with equal particle numbers. For;a quantum dot with multiple channels available for transport, we find;the conditions for decoupling the dynamics of the Fock-space coherence;from both the Hilbert-space coherence as well as the population;dynamics. We further find specific energy and coupling regimes where a;long-lived resonance in the Fock-space coherence of the system is;realized, even where no resonances are found either in the populations;or Hilbert-space coherence. Numerical calculations show this resonance;remains robust in the presence of both boson-mediated relaxation and;transport through the quantum dot. DOI: 10.1103/PhysRevB.86.235310;1;0;0;0;1;1098-0121;WOS:000312365200009;;;J;Ward, D. K.;Zhou, X. W.;Wong, B. M.;Doty, F. P.;Zimmerman, J. A.;Analytical bond-order potential for the Cd-Zn-Te ternary system;PHYSICAL REVIEW B;86;24;245203;10.1103/PhysRevB.86.245203;DEC 17 2012;2012;Cd-Zn-Te ternary alloyed semiconductor compounds are key materials in;radiation detection and photovoltaic applications. Currently,;crystalline defects such as dislocations limit the performance of these;materials. Atomistic simulations are a powerful method for exploring;crystalline defects at a resolution unattainable by experimental;techniques. To enable accurate atomistic simulations of defects in the;Cd-Zn-Te systems, we develop a full Cd-Zn-Te ternary bond-order;potential. This Cd-Zn-Te potential has numerous unique advantages over;other potential formulations: (1) It is analytically derived from;quantum mechanical theories and is therefore more likely to be;transferable to environments that are not explicitly tested. (2) A;variety of elemental and compound configurations (with coordination;varying from 1 to 12) including small clusters, bulk lattices, defects,;and surfaces are explicitly considered during parameterization. As a;result, the potential captures structural and property trends close to;those seen in experiments and quantum mechanical calculations and;provides a good description of melting temperature, defect;characteristics, and surface reconstructions. (3) Most importantly, this;potential is validated to correctly predict the crystalline growth of;the ground-state structures for Cd, Zn, Te elements as well as CdTe,;ZnTe, and Cd1-xZnxTe compounds during highly challenging molecular;dynamics vapor deposition simulations. DOI: 10.1103/PhysRevB.86.245203;Wong, Bryan/B-1663-2009;Wong, Bryan/0000-0002-3477-8043;7;0;0;0;7;1098-0121;WOS:000312365800005;;;J;Williams, M. E.;Sims, H.;Mazumdar, D.;Butler, W. H.;Effects of 3d and 4d transition metal substitutional impurities on the;electronic properties of CrO2;PHYSICAL REVIEW B;86;23;235124;10.1103/PhysRevB.86.235124;DEC 17 2012;2012;We present first-principles-based density functional theory calculations;of the electronic and magnetic structure of CrO2 with 3d and 4d;substitutional impurities. We find that the half-metallicity of CrO2;remains intact for the ground state of all of the calculated;substitutions. We also observe two periodic trends as a function of the;number of valence electrons: if the substituted atom has six or fewer;valence electrons, the number of down spin electrons associated with the;impurity ion is zero, resulting in ferromagnetic alignment of the;impurity magnetic moment with the magnetization of the CrO2 host. For;substituent atoms with eight to ten valence electrons (with the;exception of Ni), the number of down-spin electrons contributed by the;impurity ion remains fixed at three as the number contributed to the;majority increases from one to three resulting in antiferromagnetic;alignment between impurity moment and host magnetization. In impurities;with seven valence electrons, the zero down-spin and threse down-spin;configurations are very close in energy. At 11 valence electrons, the;energy is minimized when the substituent ion contributes five down-spin;electrons. The moments on the 4d impurities, particularly Nb and Mo,;tend to be delocalized compared with those of the 3ds. DOI:;10.1103/PhysRevB.86.235124;0;0;0;0;0;1098-0121;WOS:000312365200004;;;J;Yan, Xin-Zhong;Ting, C. S.;Possible broken inversion and time-reversal symmetry state of electrons;in bilayer graphene;PHYSICAL REVIEW B;86;23;235126;10.1103/PhysRevB.86.235126;DEC 17 2012;2012;With the two-band continuum model, we study the broken inversion and;time-reversal symmetry state of electrons with finite-range repulsive;interactions in bilayer graphene. In the state, there are overlapped;loop currents in each layer. With the analytical solution to the;mean-field Hamiltonian, we obtain the electronic spectra. The ground;state is gapped. In the presence of the magnetic field B, the energy gap;grows with increasing B, in excellent agreement with the experimental;observation. Such an energy-gap behavior originates from the;disappearance of a Landau level of n = 0 and 1 states. The present;result resolves explicitly the puzzle of the gap dependence of B. DOI:;10.1103/PhysRevB.86.235126;6;0;0;0;6;1098-0121;WOS:000312365200006;;;J;Yin, Z. P.;Haule, K.;Kotliar, G.;Fractional power-law behavior and its origin in iron-chalcogenide and;ruthenate superconductors: Insights from first-principles calculations;(vol 86, 195141, 2012);PHYSICAL REVIEW B;86;23;239904;10.1103/PhysRevB.86.239904;DEC 17 2012;2012;2;0;0;0;2;1098-0121;WOS:000312365200014;;;J;Zhigadlo, N. D.;Weyeneth, S.;Katrych, S.;Moll, P. J. W.;Rogacki, K.;Bosma, S.;Puzniak, R.;Karpinski, J.;Batlogg, B.;High-pressure flux growth, structural, and superconducting properties of;LnFeAsO (Ln = Pr, Nd, Sm) single crystals;PHYSICAL REVIEW B;86;21;214509;10.1103/PhysRevB.86.214509;DEC 17 2012;2012;Single crystals of the LnFeAsO (Ln1111, Ln = Pr, Nd, and Sm) family with;lateral dimensions up to 1 mm were grown from NaAs and KAs flux at high;pressure. The crystals are of good structural quality and become;superconducting when O is partially substituted by F (PrFeAsO1-xFx and;NdFeAsO1-xFx) or when Fe is substituted by Co (SmFe1-xCoxAsO). From;magnetization measurements, we estimate the temperature dependence and;anisotropy of the upper critical field and the critical current density;of underdoped PrFeAsO0.7F0.3 crystal with T-c approximate to 25 K.;Single crystals of SmFe1-xCoxAsO with maximal T-c up to 16.3 K for x;approximate to 0.08 were grown. From transport and magnetic;measurements, we estimate the critical fields and their anisotropy and;find these superconducting properties to be quite comparable to the ones;in SmFeAsO1-xFx with a much higher T-c approximate to 50 K. The;magnetically measured critical current densities are as high as 10(9);A/m(2) at 2 K up to 7 T, with indication of the usual fishtail effect.;The upper critical field estimated from resistivity measurements is;anisotropic with slopes of similar to - 8.7 T/K (H parallel to ab plane);and similar to - 1.7 T/K (H parallel to c axis). This anisotropy;(similar to 5) is similar to that in other Ln1111 crystals with various;higher T-c's.;Puzniak, Roman/N-1643-2013;Puzniak, Roman/0000-0001-5636-5541;7;0;0;0;7;1098-0121;WOS:000312364200008;;;J;Zhu, Guobao;Yang, Shengyuan A.;Fang, Cheng;Liu, W. M.;Yao, Yugui;Theory of orbital magnetization in disordered systems;PHYSICAL REVIEW B;86;21;214415;10.1103/PhysRevB.86.214415;DEC 17 2012;2012;We present a general formula of the orbital magnetization of disordered;systems based on the Keldysh Green's function theory in the;gauge-covariant Wigner space. In our approach, the gauge invariance of;physical quantities is ensured from the very beginning, and the vertex;corrections are easily included. Our formula applies not only for;insulators but also for metallic systems where the quasiparticle;behavior is usually strongly modified by the disorder scattering. In the;absence of disorders, our formula recovers the previous results obtained;from the semiclassical theory and the perturbation theory. As an;application, we calculate the orbital magnetization of a weakly;disordered two-dimensional electron gas with Rashba spin-orbit coupling.;We find that for the short-range disorder scattering, its major effect;is to the shifting of the distribution of orbital magnetization;corresponding to the quasiparticle energy renormalization.;Yao, Yugui/A-8411-2012; Yang, Shengyuan/L-2848-2014;6;0;1;0;7;1098-0121;WOS:000312364200004;;;J;Zhukov, E. A.;Yugov, O. A.;Yugova, I. A.;Yakovlev, D. R.;Karczewski, G.;Wojtowicz, T.;Kossut, J.;Bayer, M.;Resonant spin amplification of resident electrons in CdTe/(Cd,Mg)Te;quantum wells subject to tilted magnetic fields;PHYSICAL REVIEW B;86;24;245314;10.1103/PhysRevB.86.245314;DEC 17 2012;2012;Electron spin coherence in CdTe/(Cd,Mg)Te quantum wells is studied;experimentally and theoretically in tilted external magnetic fields;generated by a superconducting vector magnet. The long-lived spin;coherence is measured by pump-probe Kerr rotation in the resonant spin;amplification (RSA) regime. The shape of RSA signals is very sensitive;to weak magnetic field components deviating from the Voigt or Faraday;geometries. DOI: 10.1103/PhysRevB.86.245314;Yugova, Irina/F-6823-2011;Yugova, Irina/0000-0003-0020-3679;3;0;0;0;3;1098-0121;WOS:000312365800008;;;J;Adelstein, Nicole;Mun, B. Simon;Ray, Hannah L.;Ross, Philip N., Jr.;Neaton, Jeffrey B.;De Jonghe, Lutgard C.;Structure and electronic properties of cerium orthophosphate: Theory and;experiment (vol 83, 205104, 2011);PHYSICAL REVIEW B;86;23;239903;10.1103/PhysRevB.86.239903;DEC 14 2012;2012;Mun, Bongjin /G-1701-2013;0;0;0;0;0;1098-0121;WOS:000312365100009;;;J;Bagchi, Debarshee;Mohanty, P. K.;Thermally driven classical Heisenberg model in one dimension;PHYSICAL REVIEW B;86;21;214302;10.1103/PhysRevB.86.214302;DEC 14 2012;2012;We study thermal transport in a classical one-dimensional Heisenberg;model employing a discrete-time odd-even precessional update scheme.;This dynamics equilibrates a spin chain for any arbitrary temperature;and finite value of the integration time step Delta t. We rigorously;show that in presence of driving, the system attains local thermal;equilibrium, which is a strict requirement of Fourier law. In the;thermodynamic limit, heat current for such a system obeys Fourier law;for all temperatures, as has been recently shown [A. V. Savin, G. P.;Tsironis, and X. Zotos, Phys. Rev. B 72, 140402(R) (2005)]. Finite;systems, however, show an apparent ballistic transport which crosses;over to a diffusive one as the system size is increased. We provide;exact results for current and energy profiles in zero- and;infinite-temperature limits. DOI: 10.1103/PhysRevB.86.214302;3;0;0;0;3;1098-0121;WOS:000312364100001;;;J;Barasinski, A.;Kamieniarz, G.;Drzewinski, A.;Magnetization-based assessment of correlation energy in canted;single-chain magnets;PHYSICAL REVIEW B;86;21;214412;10.1103/PhysRevB.86.214412;DEC 14 2012;2012;We demonstrate numerically that for the strongly anisotropic;homometallic S = 2 canted single-chain magnet described by the quantum;antiferromagnetic Heisenberg model, the correlation energy and exchange;coupling constant can be directly estimated from the;in-field-magnetization profile found along the properly selected;crystallographic direction. In the parameter space defined by the;spherical angles (phi, theta) determining the axes orientation, four;regions are identified with different sequences of the characteristic;field-dependent magnetization profiles representing the;antiferromagnetic, metamagnetic, and weak ferromagnetic type behavior.;These sequences provide a criterion for the applicability of the;anisotropic quantum Heisenberg model to a given experimental system. Our;analysis shows that the correlation energy decreases linearly with field;and vanishes for a given value H-cr, which defines a special coordinates;in the metamagnetic profile relevant for the zero-field correlation;energy and magnetic coupling. For the single-chain magnet formed by the;strongly anisotropic manganese(III) acetate meso-tetraphenylporphyrin;complexes coupled to the phenylphosphinate ligands, the experimental;metamagnetic-type magnetization curve in the c direction yields an;accurate estimate of the values of correlation energy Delta(xi)/k(B) =;7.93 K and exchange coupling J/k(B) = 1.20 K. DOI:;10.1103/PhysRevB.86.214412;1;0;0;0;1;1098-0121;WOS:000312364100004;;;J;Brinzari, T. V.;Chen, P.;Tung, L. -C.;Kim, Y.;Smirnov, D.;Singleton, J.;Miller, Joel. S.;Musfeldt, J. L.;Magnetoelastic coupling in [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] molecule-based;magnet;PHYSICAL REVIEW B;86;21;214411;10.1103/PhysRevB.86.214411;DEC 14 2012;2012;Infrared and Raman vibrational spectroscopies were employed to explore;the lattice dynamics of [Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] through the;field- and temperature-driven magnetic transitions. The high field work;reveals systematic changes in the C equivalent to N stretching mode and;Cr-containing phonons as the system is driven away from the;antiferromagnetic state. The magnetic intersublattice coalescence;transition at B-c similar or equal to 0.08 T, on the contrary, is purely;magnetic and takes place with no lattice involvement. The variable;temperature spectroscopy affirms overall [Cr(CN)(6)](3-) flexibility;along with stronger intermolecular interactions at low temperature.;Based on a displacement pattern analysis, we discuss the local lattice;distortions in terms of an adaptable chromium environment. These;findings provide deeper understanding of spin-lattice coupling in;[Ru-2(O2CMe)(4)](3)[Cr(CN)(6)] and may be useful in the development of;technologically important molecule-based magnets. DOI:;10.1103/PhysRevB.86.214411;4;2;0;0;4;1098-0121;WOS:000312364100003;;;J;Chan, Tzu-Liang;Capacitance of metallic and semiconducting nanowires examined by;first-principles calculations;PHYSICAL REVIEW B;86;24;245414;10.1103/PhysRevB.86.245414;DEC 14 2012;2012;The capacitance of Al < 110 > and P-doped Si < 110 > nanowires a few;nanometers in diameter are examined by first-principles calculations.;During charging, the metallic nanowire expels the charge to its surface,;and its capacitance stays relatively constant. For the semiconducting;nanowire, depletion of conduction electrons can lead to an increase in;the work function, which results in a drop in the capacitance when;charged beyond a threshold. This study is made possible by developing a;formalism for total energy calculations of charged periodic systems with;a specific electrostatic boundary condition. DOI:;10.1103/PhysRevB.86.245414;1;0;0;0;1;1098-0121;WOS:000312365400006;;;J;Dias, R. G.;del Rio, Lidia;Goltsev, A. V.;Interplay between potential and spin-flip scattering in systems with;depleted density of states;PHYSICAL REVIEW B;86;23;235120;10.1103/PhysRevB.86.235120;DEC 14 2012;2012;We study the behavior of a magnetic impurity in systems with a depleted;density of states by use of the spin-1/2 single-impurity Anderson model;and the equation of motion approach. We calculate the impurity spectral;function and study the role of potential and spin-flip scattering. We;show that in these systems, if the hybridization is larger than a;critical value, a narrow virtual bound resonance emerges. The resonance;peak appears much below the Fermi energy and is dominated by the;contribution of potential scattering of conduction electrons by the;magnetic impurity while spin-flip scattering only gives a nonsingular;temperature-dependent contribution to this peak. These results are in;contrast to behavior of impurities in normal metals where it is;spin-flip scattering that is responsible for the Kondo peak near the;Fermi level while potential scattering gives a nonsignificant;renormalization of the exchange coupling. We also show that the virtual;bound resonance leads to a strong renormalization of the effective;exchange coupling between conduction and impurity spins. The narrow;virtual bound resonance can be observed in graphene with magnetic;impurities where its spectral weight and position is strongly influenced;by the van Hove singularity. DOI: 10.1103/PhysRevB.86.235120;Universidade Aveiro, Departamento Fisica/E-4128-2013; Dias, Ricardo/J-6007-2013;Dias, Ricardo/0000-0002-5128-5531;0;0;0;0;0;1098-0121;WOS:000312365100001;;;J;Ganeshan, Sriram;Abanov, Alexander G.;Averin, Dmitri V.;Fractional quantum Hall interferometers in a strong tunneling regime:;The role of compactness in edge fields;PHYSICAL REVIEW B;86;23;235309;10.1103/PhysRevB.86.235309;DEC 14 2012;2012;We consider multiple-point tunneling in the interferometers formed;between edges of electron liquids with, in general, different filling;factors in the regime of the fractional quantum Hall effect (FQHE). We;derive an effective matrix Caldeira-Leggett model for the multiple;tunneling contacts connecting the chiral single-mode FQHE edges. It is;shown that the compactness of the Wen-Frohlich chiral boson fields;describing the FQHE edge modes plays a crucial role in eliminating the;spurious nonlocality of the electron transport properties of the FQHE;interferometers arising in the regime of strong tunneling. DOI:;10.1103/PhysRevB.86.235309;0;0;0;0;0;1098-0121;WOS:000312365100004;;;J;Giannazzo, F.;Deretzis, I.;La Magna, A.;Roccaforte, F.;Yakimova, R.;Electronic transport at monolayer-bilayer junctions in epitaxial;graphene on SiC;PHYSICAL REVIEW B;86;23;235422;10.1103/PhysRevB.86.235422;DEC 14 2012;2012;Two-dimensional maps of the electronic conductance in epitaxial graphene;grown on SiC were obtained by calibrated conductive atomic force;microscopy. The correlation between morphological and electrical maps;revealed the local conductance degradation in epitaxial graphene over;the SiC substrate steps or at the junction between monolayer (1L) and;bilayer (2L) graphene regions. The effect of steps strongly depends on;the charge transfer phenomena between the step sidewall and graphene,;whereas the resistance increase at the 1L/2L junction is a purely;quantum-mechanical effect independent on the interaction with the;substrate. First-principles transport calculations indicate that the;weak wave-function coupling between the 1L pi/pi* bands with the;respective first bands of the 2L region gives rise to a strong;suppression of the conductance for energies within +/- 0.48 eV from the;Dirac point. Conductance degradation at 1L/2L junctions is therefore a;general issue for large area graphene with a certain fraction of;inhomogeneities in the layer number, including graphene grown by;chemical vapor deposition on metals. DOI: 10.1103/PhysRevB.86.235422;Materials, Semiconductor/I-6323-2013;11;0;0;0;11;1098-0121;WOS:000312365100005;;;J;Hintzsche, L. E.;Fang, C. M.;Watts, T.;Marsman, M.;Jordan, G.;Lamers, M. W. P. E.;Weeber, A. W.;Kresse, G.;Density functional theory study of the structural and electronic;properties of amorphous silicon nitrides: Si3N4-x:H;PHYSICAL REVIEW B;86;23;235204;10.1103/PhysRevB.86.235204;DEC 14 2012;2012;We present ab initio density functional theory studies for;stoichiometric as well as nonstoichiometric amorphous silicon nitride,;varying the stoichiometry between Si3N4.5 and Si3N3. Stoichiometric;amorphous Si3N4 possesses the same local structure as crystalline Si3N4,;with Si being fourfold coordinated and N being threefold coordinated.;Only few Si-Si and N-N bonds and other defects are found in;stoichiometric silicon nitride, and the electronic properties are very;similar to the crystalline bulk. In over-stoichiometric Si3N4+x, the;additional N results in N-N bonds, whereas in under-stoichiometric;Si3N4-x the number of homopolar Si-Si bonds increases with decreasing N;content. Analysis of the structure factor and the local coordination of;the Si atoms indicates a slight tendency towards Si clustering, although;at the investigated stoichiometries, phase separation is not observed.;In the electronic properties, the conduction-band minimum is dominated;by Si states, whereas the valence-band maximum is made up by lone pair N;states. Towards Si rich samples, the character of the valence-band;maximum becomes dominated by Si states corresponding to Si-Si bonding;linear combinations. Adding small amounts of hydrogen, as typically used;in passivating layers of photovoltaic devices, has essentially no impact;on the overall structural and electronic properties. DOI:;10.1103/PhysRevB.86.235204;Fang, Chang Ming/E-9213-2013;3;0;0;0;3;1098-0121;WOS:000312365100002;;;J;Joung, Daeha;Khondaker, Saiful I.;Efros-Shklovskii variable-range hopping in reduced graphene oxide sheets;of varying carbon sp(2) fraction;PHYSICAL REVIEW B;86;23;235423;10.1103/PhysRevB.86.235423;DEC 14 2012;2012;We investigate the low-temperature electron transport properties of;chemically reduced graphene oxide (RGO) sheets with different carbon;sp(2) fractions of 55% to 80%. We show that in the low-bias (Ohmic);regime, the temperature (T) dependent resistance (R) of all the devices;follow Efros-Shklovskii variable range hopping (ES-VRH) R similar to;exp[(T-ES/T)(1/2)] with T-ES decreasing from 3.1 x 10(4) to 0.42 x 10(4);K and electron localization length increasing from 0.46 to 3.21 nm with;increasing sp(2) fraction. From our data, we predict that for the;temperature range used in our study, Mott-VRH may not be observed even;at 100% sp(2) fraction samples due to residual topological defects and;structural disorders. From the localization length, we calculate a;band-gap variation of our RGO from 1.43 to 0.21 eV with increasing sp(2);fraction from 55 to 80%, which agrees remarkably well with theoretical;predictions. We also show that, in the high bias non-Ohmic regime at low;temperature, the hopping is field driven and the data follow R similar;to exp[(E0/E)(1/2)] providing further evidence of ES-VRH. DOI:;10.1103/PhysRevB.86.235423;14;0;0;0;14;1098-0121;WOS:000312365100006;;;J;Kim, Se-Heon;Homyk, Andrew;Walavalkar, Sameer;Scherer, Axel;High-Q impurity photon states bounded by a photonic band pseudogap in an;optically thick photonic crystal slab;PHYSICAL REVIEW B;86;24;245114;10.1103/PhysRevB.86.245114;DEC 14 2012;2012;We show that, taking a two-dimensional photonic crystal slab system as;an example, surprisingly high quality factors (Q) over 10(5) are;achievable, even in the absence of a rigorous photonic band gap. We find;that the density of in-plane Bloch modes can be controlled by creating;additional photon feedback from a finite-size photonic-crystal boundary;that serves as a low-Q resonator. This mechanism enables significant;reduction in the coupling strength between the bound state and the;extended Bloch modes by more than a factor of 40. DOI:;10.1103/PhysRevB.86.245114;Walavalkar, Sameer/B-3196-2013; Kim, Se-Heon/C-5498-2008;Walavalkar, Sameer/0000-0002-7628-9600;;2;0;0;0;2;1098-0121;WOS:000312365400001;;;J;Kravets, A. F.;Timoshevskii, A. N.;Yanchitsky, B. Z.;Bergmann, M. A.;Buhler, J.;Andersson, S.;Korenivski, V.;Temperature-controlled interlayer exchange coupling in strong/weak;ferromagnetic multilayers: A thermomagnetic Curie switch;PHYSICAL REVIEW B;86;21;214413;10.1103/PhysRevB.86.214413;DEC 14 2012;2012;We investigate interlayer exchange coupling based on driving a;strong/weak/strong ferromagnetic trilayer through the Curie point of the;weakly ferromagnetic spacer, with exchange coupling between the strongly;ferromagnetic outer layers that can be switched on and off, or varied;continuously in magnitude by controlling the temperature of the;material. We use Ni-Cu alloys of varied composition as the spacer;material and model the effects of proximity-induced magnetism and the;interlayer exchange coupling through the spacer from first principles,;taking into account not only thermal spin disorder but also the;dependence of the atomic moment of Ni on the nearest-neighbor;concentration of the nonmagnetic Cu. We propose and demonstrate a;gradient-composition spacer, with a lower Ni concentration at the;interfaces, for greatly improved effective-exchange uniformity and;significantly improved thermomagnetic switching in the structure. The;reported multilayer materials can form the base for a variety of;magnetic devices, such as sensors, oscillators, and memory elements;based on thermomagnetic Curie switching. DOI: 10.1103/PhysRevB.86.214413;Korenivski, Vladislav/N-7355-2014;Korenivski, Vladislav/0000-0003-2339-1692;4;0;0;0;4;1098-0121;WOS:000312364100005;;;J;Little, C. E.;Anufriev, R.;Iorsh, I.;Kaliteevski, M. A.;Abram, R. A.;Brand, S.;Tamm plasmon polaritons in multilayered cylindrical structures;PHYSICAL REVIEW B;86;23;235425;10.1103/PhysRevB.86.235425;DEC 14 2012;2012;It is shown that cylindrical Bragg reflector structures with either a;metal core, a metal cladding, or both can support Tamm plasmon;polaritons (TPPs) that can propagate axially along the interface between;the metallic layer and the adjacent dielectric. A transfer matrix;formalism for cylindrical multilayered structures is used in association;with cavity phase matching considerations to design structures that;support Tamm plasmon polaritons at specified frequencies, and to explore;the field distributions and the dispersion relations of the excitations.;The cylindrical TPPs can exist in both the TE and TM polarizations for;the special cases of modes with either azimuthal isotropy or zero axial;propagation constant and also as hybrid cylindrical modes when neither;of those conditions applies. In the cases considered the TPPs have low;effective masses and low group velocities. Also, when there is both;metallic core and cladding, near degenerate modes localized at each;metallic interface can couple to produce symmetric and antisymmetric;combinations whose frequency difference is in the terahertz regime. DOI:;10.1103/PhysRevB.86.235425;Brand, Stuart/A-1658-2009;Brand, Stuart/0000-0002-1757-5017;3;0;0;0;3;1098-0121;WOS:000312365100008;;;J;Machida, Manabu;Iitaka, Toshiaki;Miyashita, Seiji;ESR intensity and the Dzyaloshinsky-Moriya interaction of the nanoscale;molecular magnet V-15;PHYSICAL REVIEW B;86;22;224412;10.1103/PhysRevB.86.224412;DEC 14 2012;2012;The intensity of electron spin resonance (ESR) of the nanoscale;molecular magnet V-15 is studied. We calculate the temperature;dependence of the intensity at temperatures from high to low. In;particular, we find that the low-temperature ESR intensity is;significantly affected by the Dzyaloshinsky-Moriya interaction. DOI:;10.1103/PhysRevB.86.224412;1;0;0;0;1;1098-0121;WOS:000312364500003;;;J;Meinert, Markus;Friedrich, Christoph;Reiss, Guenter;Bluegel, Stefan;GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi;PHYSICAL REVIEW B;86;24;245115;10.1103/PhysRevB.86.245115;DEC 14 2012;2012;Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi;Heusler compounds have been calculated within the one-shot GW;approximation in an all-electron framework without adjustable;parameters. For Co2FeSi the many-body corrections are crucial: a;pseudogap opens and good agreement of the magnetic moment with;experiment is obtained. Otherwise, however, the changes with respect to;the density-functional-theory starting point are moderate. For both;cases we find that photoemission and x-ray absorption spectra are well;described by the calculations. By comparison with the GW density of;states, we conclude that the Kohn-Sham eigenvalue spectrum provides a;reasonable approximation for the quasiparticle spectrum of the Heusler;compounds considered in this work. DOI: 10.1103/PhysRevB.86.245115;Reiss, Gunter/A-3423-2010; Meinert, Markus/E-8794-2011; Blugel, Stefan/J-8323-2013; Friedrich, Christoph/L-5029-2013;Reiss, Gunter/0000-0002-0918-5940; Blugel, Stefan/0000-0001-9987-4733;;Friedrich, Christoph/0000-0002-3315-7536;7;1;0;0;7;1098-0121;WOS:000312365400002;;;J;Misiorny, Maciej;Weymann, Ireneusz;Barnas, Jozef;Underscreened Kondo effect in S=1 magnetic quantum dots: Exchange,;anisotropy, and temperature effects;PHYSICAL REVIEW B;86;24;245415;10.1103/PhysRevB.86.245415;DEC 14 2012;2012;We present a theoretical analysis of the effects of uniaxial magnetic;anisotropy and contact-induced exchange field on the underscreened Kondo;effect in S = 1 magnetic quantum dots coupled to ferromagnetic leads.;First, by using the second-order perturbation theory we show that the;coupling to spin-polarized electrode results in an effective exchange;field B-eff and an effective magnetic anisotropy D-eff. Second, we;confirm these findings by using the numerical renormalization group;method, which is employed to study the dependence of the quantum-dot;spectral functions, as well as quantum-dot spin, on various parameters;of the system. We show that the underscreened Kondo effect is generally;suppressed due to the presence of effective exchange field and can be;restored by tuning the anisotropy constant, when vertical bar D-eff;vertical bar = |B-eff vertical bar. The Kondo effect can also be;restored by sweeping an external magnetic field, and the restoration;occurs twice in a single sweep. From the distance between the restored;Kondo resonances one can extract the information about both the exchange;field and the effective anisotropy. Finally, we calculate the;temperature dependence of linear conductance for the parameters where;the Kondo effect is restored and show that the restored Kondo resonances;display a universal scaling of S = 1/2 Kondo effect. DOI:;10.1103/PhysRevB.86.245415;3;0;0;0;3;1098-0121;WOS:000312365400007;;;J;Monette, Gabriel;Nateghi, Nima;Masut, Remo A.;Francoeur, Sebastien;Menard, David;Plasmonic enhancement of the magneto-optical response of MnP;nanoclusters embedded in GaP epilayers;PHYSICAL REVIEW B;86;24;245312;10.1103/PhysRevB.86.245312;DEC 14 2012;2012;We report on the magneto-optical activity of MnP nanoclusters embedded;in GaP epilayers and MnP thin film as a function of temperature,;magnetic field, and wavelength in the near infrared and visible. The;measured Faraday rotation originates from the ferromagnetic;magnetization of the metallic MnP phase and exhibits a hysteretic;behavior as a function of an externally applied magnetic field closely;matching that of the magnetization. The Faraday rotation spectrum of MnP;shows a magnetoplasmonic resonance whose energy depends on the MnP;filling factor and surrounding matrix permittivity. At resonance, the;measured rotary power for the epilayer systems increases by a factor of;2 compared to that of the MnP film in terms of degrees of rotation per;MnP thickness for an applied magnetic field of 410 mT. We propose an;effective medium model, which qualitatively reproduces the Faraday;rotation and the magnetocircular dichroism spectra, quantitatively;determines the spectral shift induced by variations in the MnP volume;fraction, and demonstrates the influence of the shape and orientation;distributions of ellipsoidal MnP nanoclusters on the magneto-optical;activity and absorption spectra. DOI: 10.1103/PhysRevB.86.245312;Menard, David/A-6862-2010; Francoeur, Sebastien/E-6614-2011; Masut, Remo/I-3727-2014;Menard, David/0000-0003-2207-3422;;2;0;0;0;2;1098-0121;WOS:000312365400003;;;J;Morgan, Steven W.;Oganesyan, Vadim;Boutis, Gregory S.;Multispin correlations and pseudothermalization of the transient density;matrix in solid-state NMR: Free induction decay and magic echo;PHYSICAL REVIEW B;86;21;214410;10.1103/PhysRevB.86.214410;DEC 14 2012;2012;Quantum unitary evolution typically leads to thermalization of generic;interacting many-body systems. There are very few known general methods;for reversing this process, and we focus on the magic echo, a;radio-frequency pulse sequence known to approximately "rewind" the time;evolution of dipolar coupled homonuclear spin systems in a large;magnetic field. By combining analytic, numerical, and experimental;results, we systematically investigate factors leading to the;degradation of magic echoes, as observed in reduced revival of mean;transverse magnetization. Going beyond the conventional analysis based;on mean magnetization, we use a phase-encoding technique to measure the;growth of spin correlations in the density matrix at different points in;time following magic echoes of varied durations and compare the results;to those obtained during a free induction decay. While considerable;differences are documented at short times, the long-time behavior of the;density matrix appears to be remarkably universal among the types of;initial states considered: simple low-order multispin correlations are;observed to decay exponentially at the same rate, seeding the onset of;increasingly complex high-order correlations. This manifestly athermal;process is constrained by conservation of the second moment of the;spectrum of the density matrix and proceeds indefinitely, assuming;unitary dynamics. DOI: 10.1103/PhysRevB.86.214410;3;0;0;0;3;1098-0121;WOS:000312364100002;;;J;Sung, N. H.;Roh, C. J.;Kim, K. S.;Cho, B. K.;Possible multigap superconductivity and magnetism in single crystals of;superconducting La2Pt3Ge5 and Pr2Pt3Ge5;PHYSICAL REVIEW B;86;22;224507;10.1103/PhysRevB.86.224507;DEC 14 2012;2012;We herein describe our investigation of the superconducting and magnetic;properties of the rare-earth ternary germanide intermetallic compounds;La2Pt3Ge5 and Pr2Pt3Ge5. Single crystals of La2Pt3Ge5 and Pr2Pt3Ge5 were;synthesized using the high-temperature metal flux method. Both types of;crystal formed in a U2Co3Si5-type orthorhombic structure (space group;Ibam). La2Pt3Ge5 showed the onset of superconducting phase transition at;T-c = 8.1 K, which, to the best of our knowledge, is the highest Tc of;all the R2M3X5 (R = rare-earth elements, M = transition metal, and X =;s-p metal) superconductors, and from the specific heat data, it was;found to have multigap superconductivity. Pr2Pt3Ge5 showed both a;superconducting phase transition at T-c = 7.8 K and two;antiferromagnetic transitions at T-N1 = 3.5 K and T-N2 = 4.2 K, which;indicates the coexistence of superconductivity and magnetism. However,;the correlation between the superconductivity and the magnetism was too;weak to be observed. In its normal state, Pr2Pt3Ge5 revealed strong;magnetic anisotropy, probably due to the crystalline electric field;effect. DOI: 10.1103/PhysRevB.86.224507;1;0;0;0;1;1098-0121;WOS:000312364500004;;;J;Suzuki, Takafumi;Sato, Masahiro;Gapless edge states and their stability in two-dimensional quantum;magnets;PHYSICAL REVIEW B;86;22;224411;10.1103/PhysRevB.86.224411;DEC 14 2012;2012;We study the nature of edge states in extrinsically and spontaneously;dimerized states of two-dimensional spin-1/2 antiferromagnets, by;performing quantum Monte Carlo simulation. We show that a gapless edge;mode emerges in the wide region of the dimerized phases, and the;critical exponent of spin correlators along the edge deviates from the;value of Tomonaga-Luttinger liquid (TLL) universality in large but;finite systems at low temperatures. We also demonstrate that the gapless;nature at edges is stable against several perturbations such as external;magnetic field, easy-plane XXZ anisotropy, Dzyaloshinskii-Moriya;interaction, and further-neighbor exchange interactions. The edge states;exhibit non-TLL behavior, depending strongly on model parameters and;kinds of perturbations. Possible ways of detecting these edge states are;discussed. Properties of edge states we show in this paper could also be;used as reference points to study other edge states of more exotic;gapped magnetic phases such as spin liquids. DOI:;10.1103/PhysRevB.86.224411;0;0;0;0;0;1098-0121;WOS:000312364500002;;;J;Tian, H. Y.;Chan, K. S.;Wang, J.;Efficient spin injection in graphene using electron optics;PHYSICAL REVIEW B;86;24;245413;10.1103/PhysRevB.86.245413;DEC 14 2012;2012;We investigate theoretically spin injection efficiency from the;ferromagnetic graphene to normal graphene (FG/NG) based on electron;optics, where the magnetization in the FG is assumed from the magnetic;proximity effect. Based on a graphene lattice model, we demonstrated;that one spin-species electron flow from a point source could be nearly;suppressed through the FG-NG interface, when the total internal;reflection effect occurs with the help of an additional barrier masking;the Klein tunneling, while the opposite spin-species electron flow could;even be collimated due to the negative refraction under suitable;parameters. Not only at the focusing point is the efficient spin;injection achieved, but in the whole NG region the spin injection;efficiency can also be maintained at a high level. It is also shown that;the nonideal FG-NG interface could reduce the spin injection efficiency;since the electron optics phenomena are weakened owing to the;interfacial backscattering. Our findings may shed light on making;graphene-based spin devices in the spintronics field. DOI:;10.1103/PhysRevB.86.245413;3;0;2;0;3;1098-0121;WOS:000312365400005;;;J;Vasko, F. T.;Mitin, V. V.;Ryzhii, V.;Otsuji, T.;Interplay of intra- and interband absorption in a disordered graphene;PHYSICAL REVIEW B;86;23;235424;10.1103/PhysRevB.86.235424;DEC 14 2012;2012;The absorption of heavily doped graphene in the terahertz and;midinfrared spectral regions is considered, taking into account both the;elastic scattering due to finite-range disorder and the variations of;concentration due to long-range disorder. The interplay between intra-;and interband transitions is analyzed for the high-frequency regime of;response, near the Pauli blocking threshold. The gate voltage and;temperature dependencies of the absorption efficiency are calculated. It;is demonstrated that for typical parameters, the smearing of the;interband absorption edge is determined by a partly screened;contribution to long-range disorder while the intraband absorption is;determined by finite-range scattering. The latter yields the spectral;dependencies which deviate from those following from the Drude formula.;The obtained dependencies are in agreement with recent experimental;results. The comparison of the results of our calculations with the;experimental data provides a possibility to extract the disorder;characteristics. DOI: 10.1103/PhysRevB.86.235424;10;0;0;0;10;1098-0121;WOS:000312365100007;;;J;Violante, C.;Conte, A. Mosca;Bechstedt, F.;Pulci, O.;Geometric, electronic, and optical properties of the Si(111)2x1 surface:;Positive and negative buckling;PHYSICAL REVIEW B;86;24;245313;10.1103/PhysRevB.86.245313;DEC 14 2012;2012;The Si(111)2x1 is among the most investigated surfaces. Nonetheless,;several issues are still not understood. Its reconstruction is well;explained in terms of the Pandey model with a slight buckling (tilting);of the topmost atoms; two different isomers of the surface,;conventionally named positive and negative buckling, exist. Usually,;scanning tunneling microscopy (STM) experiments identify the positive;buckling isomer as the stable reconstruction at room temperature.;However, at low temperatures and for high n doping of the substrate,;recent scanning tunneling spectroscopy (STS) measurements found the;coexistence of positive and negative buckling on the Si(111) 2x1;surface. In this work, state-of-the-art ab initio methods, based on;density functional theory and on many-body perturbation theory, have;been used to obtain structural, electronic, and optical properties of;Si(111) 2x1 positive and negative buckling. The theoretical reflectance;anisotropy spectra (RAS), with the inclusion of the excitonic effects,;can provide a way to deepen the understanding of the coexistence of the;isomers. DOI: 10.1103/PhysRevB.86.245313;5;0;0;0;5;1098-0121;WOS:000312365400004;;;J;Yuge, Tatsuro;Sagawa, Takahiro;Sugita, Ayumu;Hayakawa, Hisao;Geometrical pumping in quantum transport: Quantum master equation;approach;PHYSICAL REVIEW B;86;23;235308;10.1103/PhysRevB.86.235308;DEC 14 2012;2012;For an open quantum system, we investigate the pumped current induced by;a slow modulation of control parameters on the basis of the quantum;master equation and full counting statistics. We find that the average;and the cumulant generating function of the pumped quantity are;characterized by the geometrical Berry-phase-like quantities in the;parameter space, which is associated with the generator of the master;equation. From our formulation, we can discuss the geometrical pumping;under the control of the chemical potentials and temperatures of;reservoirs. We demonstrate the formulation by spinless electrons in;coupled quantum dots. We show that the geometrical pumping is prohibited;for the case of noninteracting electrons if we modulate only;temperatures and chemical potentials of reservoirs, while the;geometrical pumping occurs in the presence of an interaction between;electrons. DOI: 10.1103/PhysRevB.86.235308;5;0;0;0;5;1098-0121;WOS:000312365100003;;;J;Zhang, Yanning;Wang, Hui;Wu, Ruqian;First-principles determination of the rhombohedral magnetostriction of;Fe100-xAlx and Fe100-xGax alloys;PHYSICAL REVIEW B;86;22;224410;10.1103/PhysRevB.86.224410;DEC 14 2012;2012;Through systematic density functional calculations using the full;potential linearized augmented plane-wave (FLAPW) method, the;rhombohedral magnetostriction (lambda(111)) of Fe100-xAlx and Fe100-xGax;alloys are studied for x up to 25. Theoretical calculations;satisfactorily reproduce the main features of experimental;lambda(111)(x) curves, except for dilute alloys with x < 5. Detailed;analyses on electronic and structural properties indicate the importance;of availability and symmetry of dangling bonds for the sign change of;lambda(111) around x = 16. In addition, the impurity induced local;distortion might be a possible reason for the disagreement between;theory and experiment for lambda(111) of the bulk bcc Fe. DOI:;10.1103/PhysRevB.86.224410;ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013;0;0;0;0;0;1098-0121;WOS:000312364500001;;;J;Al Attar, Hameed A.;Monkman, Andrew P.;Controlled energy transfer between isolated donor-acceptor molecules;intercalated in thermally self-ensemble two-dimensional hydrogen bonding;cages;PHYSICAL REVIEW B;86;23;235420;10.1103/PhysRevB.86.235420;DEC 13 2012;2012;Thermally assembled hydrogen bonding cages which are neither size nor;guest specific have been developed using a poly (vinyl alcohol) (PVA);host. A water-soluble conjugated polymer;poly(2,5-bis(3-sulfonatopropoxy)-1,4-phenylene, disodium;salt-alt-1,4-phenylene) (PPP-OPSO3) as a donor and;tris(2,2-bipyridyl)-ruthenium(II) [Ru(bpy)(3)(2+)] as an acceptor have;been isolated and trapped in such a PVA matrix network. This is a unique;system that shows negligible exciton diffusion and the donor and;acceptor predominantly interact by a direct single step excitation;transfer process (DSSET). Singlet and triplet exciton quenching have;been studied. Time-resolved fluorescence lifetime measurement at;different acceptor concentrations has enabled us to determine the;dimensionality of the energy-transfer process within the PVA scaffold.;Our results reveal that the PVA hydrogen bonding network effectively;isolates the donor-acceptor molecules in a two-dimensional layer;structure (lamella) leading to the condition where a precise control of;the energy and charge transfer is possible.;Monkman, Andy/B-1521-2013;Monkman, Andy/0000-0002-0784-8640;0;0;0;0;0;1098-0121;WOS:000312291900005;;;J;Anzenberg, Eitan;Perkinson, Joy C.;Madi, Charbel S.;Aziz, Michael J.;Ludwig, Karl F., Jr.;Nanoscale surface pattern formation kinetics on germanium irradiated by;Kr+ ions;PHYSICAL REVIEW B;86;24;10.1103/PhysRevB.86.245412;DEC 13 2012;2012;Nanoscale surface topography evolution on Ge surfaces irradiated by 1;keV Kr+ ions is examined in both directions perpendicular and parallel;to the projection of the ion beam on the surface. Grazing incidence;small angle x-ray scattering is used to measure in situ the evolution of;surface morphology via the linear dispersion relation. A transition from;smoothing (stability) to pattern-forming instability is observed at a;critical ion incidence angle of approximately 62 degrees with respect to;the surface normal. The linear theory quadratic coefficients which;determine the surface stability/instability are determined as a function;of bombardment angle. The Ge surface evolution during Kr+ irradiation is;qualitatively similar to that observed for Ar+ irradiation of Si.;However, in contrast to the case of Si under Ar+ irradiation, the;critical angle separating stability and instability for Ge under Kr+;irradiation cannot be quantitatively reproduced by the simple;Carter-Vishnyakov mass redistribution model. DOI:;10.1103/PhysRevB.86.245412;5;0;0;0;5;1098-0121;WOS:000312292600006;;;J;Arnardottir, K. B.;Kyriienko, O.;Shelykh, I. A.;Hall effect for indirect excitons in an inhomogeneous magnetic field;PHYSICAL REVIEW B;86;24;245311;10.1103/PhysRevB.86.245311;DEC 13 2012;2012;We study the effect of an inhomogeneous out-of-plane magnetic field on;the behavior of two-dimensional (2D) spatially indirect excitons. Due to;the difference of the magnetic field acting on electrons and holes, the;total Lorentz force affecting the center of mass motion of an indirect;exciton appears. Consequently, an indirect exciton acquires an effective;charge proportional to the gradient of the magnetic field. The;appearance of the Lorentz force causes the Hall effect for neutral;bosons, which can be detected by measurement of the spatially;inhomogeneous blueshift of the photoluminescence using a counterflow;experiment. DOI: 10.1103/PhysRevB.86.245311;Kyriienko, Oleksandr/M-5163-2014;Kyriienko, Oleksandr/0000-0002-6259-6570;2;0;0;0;2;1098-0121;WOS:000312292600004;;;J;Baek, S. -H.;Loew, T.;Hinkov, V.;Lin, C. T.;Keimer, B.;Buechner, B.;Grafe, H. -J.;Evidence of a critical hole concentration in underdoped YBa2Cu3Oy single;crystals revealed by Cu-63 NMR;PHYSICAL REVIEW B;86;22;220504;10.1103/PhysRevB.86.220504;DEC 13 2012;2012;We report a Cu-63 NMR investigation in detwinned YBa2Cu3Oy single;crystals, focusing on the highly underdoped regime (y = 6.35-6.6).;Measurements of both the spectra and the spin-lattice relaxation rates;of Cu-63 uncover the emergence of static order at a well-defined onset;temperature T-0 with an as yet unknown order parameter. While T-0 is;rapidly suppressed with increasing hole doping concentration p, the spin;pseudogap was identified only near and above the doping content at which;T-0 -> 0. Our data indicate the presence of a critical hole doping p(c);similar to 0.1, which may control both the static order at p < p(c) and;the spin pseudogap at p > p(c). DOI: 10.1103/PhysRevB.86.220504;Baek, Seung-Ho/F-4733-2011;Baek, Seung-Ho/0000-0002-0059-8255;6;1;0;0;6;1098-0121;WOS:000312291200001;;;J;Bieri, Samuel;Serbyn, Maksym;Senthil, T.;Lee, Patrick A.;Paired chiral spin liquid with a Fermi surface in S=1 model on the;triangular lattice;PHYSICAL REVIEW B;86;22;224409;10.1103/PhysRevB.86.224409;DEC 13 2012;2012;Motivated by recent experiments on Ba3NiSb2O9, we investigate possible;quantum spin liquid ground states for spin S = 1 Heisenberg models on;the triangular lattice. We use variational Monte Carlo techniques to;calculate the energies of microscopic spin liquid wave functions where;spin is represented by three flavors of fermionic spinon operators.;These energies are compared with the energies of various competing;three-sublattice ordered states. Our approach shows that the;antiferromagnetic Heisenberg model with biquadratic term and single-ion;anisotropy does not have a low-temperature spin liquid phase. However,;for an SU(3)-invariant model with sufficiently strong ring-exchange;terms, we find a paired chiral quantum spin liquid with a Fermi surface;of deconfined spinons that is stable against all types of ordering;patterns we considered. We discuss the physics of this exotic spin;liquid state in relation to the recent experiment and suggest new ways;to test this scenario. DOI: 10.1103/PhysRevB.86.224409;Bieri, Samuel/L-1045-2013;11;0;0;0;11;1098-0121;WOS:000312291200002;;;J;Busch, M.;Seifert, J.;Meyer, E.;Winter, H.;Evidence for longitudinal coherence in fast atom diffraction;PHYSICAL REVIEW B;86;24;241402;10.1103/PhysRevB.86.241402;DEC 13 2012;2012;Angular distributions for grazing scattering of keV H atoms from an;Al2O3(11 (2) over bar0) surface were recorded. These distributions;reveal defined diffraction patterns which can be understood in terms of;quantum scattering from well-ordered surfaces. From the observation of;so-called Laue circles, we conclude a high degree of longitudinal;coherence for fast atom diffraction at surfaces which allows one to;resolve periodicity intervals of several 100 angstrom. We demonstrate;this feature in scattering experiments from the reconstructed (12 x 4);phase of an Al2O3(11 (2) over bar0) surface obtained after annealing at;temperatures of about 2000 K. DOI: 10.1103/PhysRevB.86.241402;4;0;0;0;4;1098-0121;WOS:000312292600002;;;J;Chen, Chien-Chun;Jiang, Huaidong;Rong, Lu;Salha, Sara;Xu, Rui;Mason, Thomas G.;Miao, Jianwei;Reply to "Comment on 'Three-dimensional imaging of a phase object from a;single sample orientation using an optical laser'";PHYSICAL REVIEW B;86;22;226102;10.1103/PhysRevB.86.226102;DEC 13 2012;2012;In a technical comment to our paper [Phys. Rev. B 84, 224104 (2011)],;Wei and Liu criticized our work without providing theoretical,;numerical, or experimental evidence. Furthermore, we believe they;misinterpreted our matrix rank analysis of ankylography and their;statements about our experiment are inaccurate. Below is our detailed;point-by-point response to their criticisms. DOI:;10.1103/PhysRevB.86.226102;Rong, Lu/L-6195-2014;Rong, Lu/0000-0003-4614-6411;0;0;0;0;0;1098-0121;WOS:000312291200004;;;J;Dubail, J.;Read, N.;Rezayi, E. H.;Edge-state inner products and real-space entanglement spectrum of trial;quantum Hall states;PHYSICAL REVIEW B;86;24;245310;10.1103/PhysRevB.86.245310;DEC 13 2012;2012;We consider the trial wave functions for the fractional quantum Hall;effect that are given by conformal blocks, and construct their;associated edge excited states in full generality. The inner products;between these edge states are computed in the thermodynamic limit,;assuming generalized screening (i.e., short-range correlations only);inside the quantum Hall droplet and using the language of boundary;conformal field theory (boundary CFT). These inner products take;universal values in this limit: they are equal to the corresponding;inner products in the bulk two-dimensional chiral CFT which underlies;the trial wave function. This is a bulk/edge correspondence; it shows;the equality between equal-time correlators along the edge and the;correlators of the bulk CFT up to a Wick rotation. This approach is then;used to analyze the entanglement spectrum of the ground state obtained;with a bipartition A boolean OR B in real space. Starting from our;universal result for inner products in the thermodynamic limit, we;tackle corrections to scaling using standard field-theoretic and;renormalization- group arguments. We prove that generalized screening;implies that the entanglement Hamiltonian H-E = -ln rho(A) is;isospectral to an operator that is local along the cut between A and B.;We also show that a similar analysis can be carried out for particle;partition. We discuss the close analogy between the formalism of trial;wave functions given by conformal blocks and tensor product states, for;which results analogous to ours have appeared recently. Finally, the;edge theory and entanglement spectrum of p(x) +/- ip(y) paired;superfluids are treated in a similar fashion in the Appendixes. DOI:;10.1103/PhysRevB.86.245310;Read, Nicholas/J-6030-2012;14;0;0;0;14;1098-0121;WOS:000312292600003;;;J;He, Jiangang;Franchini, Cesare;
7:9:13:2 Materials properties of magnesium and calcium hydroxides from first-principles calculations
DOI:10.1016/j.commatsci.2014.07.007 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2014 TC:1 AU: Pishtshev, A.;Karazhanov, S. Zh;Klopov, M.;
7:9:13:3 Pressure driven spin crossover and isostructural phase trans on in LaFeO3
DOI:10.1063/1.4858424 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Javaid, Saqib;Akhtar, M. Javed;Ahmad, Irfan;Younas, Muhammad;Shah, Shafqat H.;Ahmad, Iftikhar;
7:9:13:4 Pressure-induced magnetic, structural, and electronic phase transitions in LaFeO3: A density functional theory (generalized gradient approximation) plus U study
DOI:10.1063/1.4887802 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Javaid, Saqib;Akhtar, M. Javed;
7:9:13:5 Screened hybrid functional applied to 3d(0) -> 3d(8) transition-metal perovskites LaMO3 (M = Sc-Cu): Influence of the exchange mixing parameter on the structural, electronic, and magnetic properties (vol 86, 235117, 2012)
DOI:10.1103/PhysRevB.90.039907 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: He, Jiangang;Franchini, Cesare;
7:9:13:6 DOS Calculation Analysis of New Transparent Conductor Mg(OH)2-C
DOI:10.2320/matertrans.M2011046 JN:MATERIALS TRANSACTIONS PY:2011 TC:2 AU: Murakami, Takahiro;Honjo, Takamitsu;Kuji, Toshiro;
7:9:14:1 Mechanism and Role of Mechanochemical Activation in the Synthesis of (K,Na,Li)(Nb,Ta)O-3 Ceramics
DOI:10.1111/j.1551-2916.2010.03643.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:10 AU: Rojac, Tadej;Bencan, Andreja;Kosec, Marija;
7:9:14:2 Mechanochemical synthesis of NaNbO3: A complementary study of reaction mechanism using Raman spectroscopy and quadrupole perturbed Na-23 nuclear magnetic resonance
DOI:10.1016/j.ssi.2012.02.060 JN:SOLID STATE IONICS PY:2012 TC:6 AU: Rojac, T.;Malic, B.;Kosec, M.;Polomska, M.;Hilczer, B.;Zupancic, B.;Zalar, B.;
7:9:14:3 Combined Analytical Transmission Electron Microscopy Approach to Reliable Composition Evaluation of KTaO3
DOI:10.1111/j.1551-2916.2010.04288.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:1 AU: Tchernychova, Elena;Glinsek, Sebastjan;Malic, Barbara;Kosec, Marija;
7:9:14:4 KTaO3 Ceramics Prepared by the Mechanochemically Activated Solid-State Synthesis
DOI:10.1111/j.1551-2916.2010.04254.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:2 AU: Glinsek, Sebastjan;Malic, Barbara;Rojac, Tadej;Filipic, Cene;Budic, Bojan;Kosec, Marija;
7:9:14:5 Mechanochemical reactions in Na2CO3-M2O5 (M = V, Nb, Ta) powder mixtures: Influence of transition-metal oxide on reaction rate
DOI:10.1016/j.ssi.2011.03.011 JN:SOLID STATE IONICS PY:2011 TC:6 AU: Rojac, Tadej;Trtnik, Ziva;Kosec, Marija;
7:9:14:6 Chemistry, Processing, and Microwave Dielectric Properties of Mn-Substituted KTaO3 Ceramics
DOI:10.1111/j.1551-2916.2009.03467.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:3 AU: Axelsson, Anna-Karin;Pan, Yuya;Valant, Matjaz;Alford, Neil McN.;
7:9:14:7 Influence of point defects in KTaO3 on low-temperature dielectric relaxation
DOI:10.1016/j.jeurceramsoc.2009.09.034 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:2 AU: Axelsson, Anna-Karin;Valant, Matjaz;Alford, Neil McN.;
7:9:15:1 Characterization and magnetic properties of LaFeO3 nanofibers synthesized by electrospinning
DOI:10.1016/j.jallcom.2013.08.191 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:12 AU: Lee, Won-Yong;Yun, Hyung Joong;Yoon, Jong-Won;
7:9:15:2 Surface and shape anisotropy effects in LaFeO3 nanoparticles
DOI:10.1063/1.3590389 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:8 AU: Wang, Dan;Gong, Menglian;
7:9:15:3 Synthesis of large surface area LaFeO3 nanoparticles by SBA-16 template method as high active visible photocatalysts
DOI:10.1007/s11051-009-9647-5 JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2010 TC:31 AU: Su, Haijiao;Jing, Liqiang;Shi, Keying;Yao, Changhao;Fu, Honggang;
7:9:15:4 Structural, magnetic and Eu-151 Mossbauer studies of mechanosynthesized nanocrystalline EuCr1-xFexO3 particles
DOI:10.1016/j.actamat.2013.04.015 JN:ACTA MATERIALIA PY:2013 TC:3 AU: Widatallah, H. M.;Al-Shahumi, T. M.;Klencsar, Z.;Pekala, M.;Gismelseed, A. M.;Al-Omari, I. A.;Al-Rawas, A. D.;Seifu, D.;
7:9:16:1 Structural and optical characterization of BaSnO3 nanopowder synthesized through a novel combustion technique
DOI:10.1016/j.jallcom.2010.10.056 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:20 AU: Deepa, A. S.;Vidya, S.;Manu, P. C.;Solomon, Sam;John, Annamma;Thomas, J. K.;
7:9:16:2 Structural, optical and magnetic properties of Fe-doped barium stannate thin films grown by PLD
DOI:10.1016/j.apsusc.2013.05.076 JN:APPLIED SURFACE SCIENCE PY:2013 TC:2 AU: James, K. K.;Aravind, Arun;Jayaraj, M. K.;
7:9:16:3 Difference in the Nature of Eu3+ Environment in Eu3+-Doped BaTiO3 and BaSnO3
DOI:10.1111/jace.12596 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:1 AU: Patel, Dinesh K.;Vishwanadh, Bathula;Sudarsan, Vasanthakumaran;Kulshreshtha, Shailendra K.;
7:9:16:4 Synthesis and characterization of terbium-doped SrSnO3 pigments
DOI:10.1016/j.ceramint.2014.04.110 JN:CERAMICS INTERNATIONAL PY:2014 TC:1 AU: Dohnalova, Zaneta;Gorodylova, Nataliia;Sulcova, Petra;Vlcek, Milan;
7:9:16:5 A Two-StepMethod to Synthesize BaSn(OH)(6) Crystalline Nanorods and Their Thermal Decomposition to Barium Stannate
DOI:10.1155/2012/912731 JN:JOURNAL OF NANOMATERIALS PY:2012 TC:0 AU: Wu, Xiaohong;Lv, Gang;Hu, Xiaoyan;Tang, Yiwen;
7:9:16:6 Hexagonal BaTiO3:Eu3(+) Nanoparticles: A Kinetically Stable Phase Prepared at Low Temperatures
DOI:10.1111/j.1551-2916.2010.04077.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:4 AU: Patel, Dinesh K.;Vishwanadh, Bathula;Sudarsan, Vasanthakumaran;Vatsa, Rajesh K.;Kulshreshtha, Shailendra K.;
7:9:17:1 Structure and magnetic properties of GdxY1-xFeO3 obtained by mechanosynthesis
DOI:10.1016/j.jallcom.2013.04.029 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:1 AU: Bolarin-Miro, A. M.;Sanchez-De Jesus, F.;Cortes-Escobedo, C. A.;Valenzuela, R.;Ammar, S.;
7:9:17:2 Mechanochemically assisted synthesis of yttrium-lanthanum orthoferrite: Structural and magnetic characterization
DOI:10.1016/j.jallcom.2009.10.061 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:7 AU: Cristobal, A. A.;Botta, P. M.;Bercoff, P. G.;Aglietti, E. F.;Bertorello, H. R.;Porto Lopez, J. M.;
7:9:17:3 Synthesis, structure and magnetic properties of distorted YxLa1-xFeO3: Effects of mechanochemical activation and composition
DOI:10.1016/j.matchemphys.2011.09.014 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:5 AU: Cristobal, A. A.;Botta, P. M.;Aglietti, E. F.;Conconi, M. S.;Bercoff, P. G.;Porto Lopez, J. M.;
7:9:18:1 Simple fabrication of polyhedral grain-like microparticle Cu0.5Zn0.5HPO4 center dot H2O and porous structure CuZnP2O7
DOI:10.1016/j.ceramint.2011.07.022 JN:CERAMICS INTERNATIONAL PY:2012 TC:2 AU: Boonchom, Banjong;Vittayakorn, Naratip;
7:9:18:2 Solid solutions of mixed metal Mn3-xMgxFe4(PO4)(6) orthophosphates: Colouring performance within a double-firing ceramic glaze
DOI:10.1016/j.ceramint.2010.09.004 JN:CERAMICS INTERNATIONAL PY:2011 TC:2 AU: Llusar, M.;Badenes, J. A.;Garcia, A.;Gargori, C.;Galindo, R.;Monros, G.;
7:9:18:3 Blue-violet ceramic pigments based on Co and Mg Co2-xMgxP2O7 diphosphates
DOI:10.1016/j.jeurceramsoc.2010.03.017 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:12 AU: Llusar, M.;Zielinska, A.;Tena, M. A.;Badenes, J. A.;Monros, G.;
7:9:18:4 Synthesis of diphosphate Mn2-xMgxP2O7 solid solutions with thortveitite structure: New pink ceramic dyes for the colouration of ceramic glazes
DOI:10.1016/j.jeurceramsoc.2011.10.051 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2012 TC:4 AU: Llusar, M.;Garcia, A.;Gargori, C.;Galindo, R.;Badenes, J. A.;Monros, G.;
7:9:18:5 Synthesis and ferromagnetic property of new binary copper iron pyrophosphate CuFeP2O7
DOI:10.1016/j.matlet.2009.10.058 JN:MATERIALS LETTERS PY:2010 TC:5 AU: Boonchom, Banjong;Vittayakorn, Naratip;
7:9:18:6 A facile microwave-induced synthesis of titanium pyrophosphate nanocrystals
DOI:10.1016/j.matlet.2012.06.009 JN:MATERIALS LETTERS PY:2012 TC:1 AU: Wang, Rui;Ye, Junwei;Ning, Guiling;Jiang, Heng;Zhou, Weilei;Sun, Fuhong;
7:9:19:1 Influence of the sputtering reactive gas on the oxide and oxynitride La-Ti-O-N deposition by RF magnetron sputtering
DOI:10.1016/j.apsusc.2012.10.059 JN:APPLIED SURFACE SCIENCE PY:2013 TC:4 AU: Lu, Y.;Le Paven-Thivet, C.;Benzerga, R.;Le Gendre, L.;Sharaiha, A.;Tessier, F.;Chevire, F.;
7:9:19:2 Perovskite oxynitride LaTiOxNy thin films: Dielectric characterization in low and high frequencies
DOI:10.1016/j.tsf.2011.01.226 JN:THIN SOLID FILMS PY:2011 TC:8 AU: Lu, Y.;Ziani, A.;Le Paven-Thivet, C.;Benzerga, R.;Le Gendre, L.;Fasquelle, D.;Kassem, H.;Tessier, F.;Vigneras, V.;Carru, J. -C.;Sharaiha, A.;
7:9:19:3 Miniaturized notch antenna based on lanthanum titanium perovskite oxide thin films
DOI:10.1016/j.tsf.2014.04.011 JN:THIN SOLID FILMS PY:2014 TC:0 AU: Nguyen, H.;Benzerga, R.;Delaveaud, C.;Le Paven, C.;Lu, Y.;Sharaiha, A.;Le Gendre, L.;Deputier, S.;Tessier, F.;Chevire, F.;Castel, X.;
7:9:19:4 Pulsed laser deposition and characterisation of perovskite-type LaTiO3-xNx thin films
DOI:10.1016/j.actamat.2011.08.019 JN:ACTA MATERIALIA PY:2011 TC:4 AU: Marozau, I.;Shkabko, A.;Doebeli, M.;Lippert, T.;Mallepell, M.;Schneider, C. W.;Weidenkaff, A.;Wokaun, A.;
7:9:19:5 High electric tunability on oxynitride perovskite LaTiO2N thin films
DOI:10.1016/j.matlet.2011.06.095 JN:MATERIALS LETTERS PY:2011 TC:5 AU: Fasquelle, D.;Ziani, A.;Le Paven-Thivet, C.;Le Gendre, L.;Carru, J.;
7:9:20:1 A two step molten method for low temperature synthesis of La0.9Bi0.1AlO3 relaxor nanocrystalline
DOI:10.1016/j.jallcom.2013.09.075 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Wang, Sai;Hou, Yu-dong;Ge, Hai-yan;Zheng, Mu-peng;Zhu, Man-kang;Zhang, Ming;Yan, Hui;
7:9:20:2 Effect of annealing on the temperature-dependent dielectric properties of LaAlO3 at terahertz frequencies
DOI:10.1063/1.3679725 JN:AIP ADVANCES PY:2012 TC:4 AU: Zou, Xingquan;He, Mi;Springer, Daniel;Lee, Dongwook;Nair, Saritha K.;Cheong, Siew Ann;Wu, Tom;Panagopoulos, C.;Talbayev, D.;Chia, Elbert E. M.;
7:9:20:3 Dielectric relaxations of LaAlO3 ceramics over broad temperature range
DOI:10.1016/j.jallcom.2012.12.041 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:1 AU: Lei, Changmei;Wang, Chunchang;Wang, Guojing;Sun, Xiaohong;Li, Teng;Liu, Lina;
7:9:20:4 Bismuth-induced ferroelectric relaxor behavior in paraelectric LaAlO3
DOI:10.1063/1.3660777 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Si, Mei-Ju;Hou, Yu-Dong;Ge, Hai-Yan;Zhu, Man-Kang;Yan, Hui;
7:9:21:1 Ta L-3-edge XANES study of perovskite oxynitrides ATaO(2)N (A = Ca, Sr, Ba)
DOI:10.1016/j.jallcom.2013.10.155 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Paek, Seung-Min;Kim, Young-Il;
7:9:21:2 Role of initial potassium excess on the properties of potassium tantalate ceramics
DOI:10.1016/j.jeurceramsoc.2011.06.012 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2011 TC:5 AU: Tkach, Alexander;Vilarinho, Paula M.;Almeida, Abilio;
7:9:21:3 Size-strain line broadening analysis of high-permittivity oxynitrides BaTaO2N and BaNbO2N
DOI:10.1016/j.ceramint.2011.10.078 JN:CERAMICS INTERNATIONAL PY:2012 TC:1 AU: Kim, Young-Il;
7:9:22:1 K0.9982Li0.0018TaO3 Crystal Under External DC Electric Field
DOI:10.1080/00150193.2012.675266 JN:FERROELECTRICS PY:2012 TC:0 AU: Trybula, Z.;Los, S. Z.;Trybula, M.;Kaszynska, K.;Dec, J.;Miga, S.;Laguta, V. V.;
7:9:22:2 Dynamics of Li+ dipoles at very low concentration in quantum paraelectric potassium tantalate
DOI:10.1063/1.3406202 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:5 AU: Dec, J.;Miga, S.;Trybula, Z.;Kaszynska, K.;Kleemann, W.;
7:9:22:3 Non-Linear Dielectric Susceptibility Near to the Field-Induced Ferroelectric Phase Transition of K0.937Li0.063TaO3
DOI:10.1080/00150193.2010.505462 JN:FERROELECTRICS PY:2010 TC:2 AU: Miga, S.;Kleemann, W.;Dec, J.;
7:9:22:4 Does Highly Dilute KTaO3:Li Undergo Collective Glassy Freezing?
DOI:10.1080/00150193.2010.489873 JN:FERROELECTRICS PY:2010 TC:2 AU: Dec, J.;Miga, S.;Kleemann, W.;Trybula, Z.;Kaszynska, K.;
7:9:22:5 Ferroelectric Phase Transitions Viewed Via Nonlinear Dielectric Response
DOI:10.1080/00150193.2011.578500 JN:FERROELECTRICS PY:2011 TC:1 AU: Dec, J.;Miga, S.;Kleemann, W.;
7:9:23:1 Electrical, optical and photoelectrochemical properties of BaSnO3-delta Applications to hydrogen evolution
DOI:10.1016/j.jallcom.2010.06.081 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:8 AU: Omeiri, S.;Hadjarab, B.;Bouguelia, A.;Trari, M.;
7:9:23:2 Dielectric and Impedance Spectroscopy of BaSnO3 and Ba2SnO4
DOI:10.1080/00150193.2014.892812 JN:FERROELECTRICS PY:2014 TC:0 AU: Katiliute, R. M.;Seibutas, P.;Ivanov, M.;Grigalaitis, R.;Stanulis, A.;Banys, J.;Kareiva, A.;
7:9:23:3 Blue light emitting SrSn(OH)(6) nano-rods doped with lanthanide ions (Eu3+, Tb3+ and Dy3+)
DOI:10.1016/j.materresbull.2012.11.047 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:0 AU: Patel, D. K.;Nuwad, J.;Rajeswari, B.;Vishwanadh, B.;Sudarsan, V.;Vatsa, R. K.;Kadam, R. M.;Pillai, C. G. S.;Kulshreshtha, S. K.;
7:9:24:1 Topochemical Synthesis of Europium Molybdenum Oxynitride Pyrochlores
DOI:10.1021/cm101726b JN:CHEMISTRY OF MATERIALS PY:2010 TC:7 AU: Yang, Minghui;Oro-Sole, Judith;Fuertes, Amparo;Attfield, J. Paul;
7:9:24:2 Preparation and neutron diffraction study of Dion-Jacobson type oxynitrides LiLaTa2O7-3xN2x (x=0.09, 0.29)
DOI:10.1016/j.materresbull.2012.11.069 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:3 AU: Lee, Eunhye;Kim, Seung-Joo;Paik, Younkee;Kim, Young-Il;
7:9:24:3 Dielectric oxynitride LaTiOxNy thin films deposited by reactive radio-frequency sputtering
DOI:10.1016/j.tsf.2011.10.192 JN:THIN SOLID FILMS PY:2012 TC:3 AU: Ziani, A.;Le Paven-Thivet, C.;Fasquelle, D.;Le Gendre, L.;Benzerga, R.;Tessier, F.;Chevire, F.;Carru, J. C.;Sharaiha, A.;
7:10:1:1 On the energy harvesting potential of piezoaeroelastic systems
DOI:10.1063/1.3427405 JN:APPLIED PHYSICS LETTERS PY:2010 TC:98 AU: Erturk, A.;Vieira, W. G. R.;De Marqui, C., Jr.;Inman, D. J.;
7:10:1:2 Underwater energy harvesting from a heavy flag hosting ionic polymer metal composites
DOI:10.1063/1.3569738 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:54 AU: Giacomello, Alberto;Porfiri, Maurizio;
7:10:1:3 A T-shaped piezoelectric cantilever for fluid energy harvesting
DOI:10.1063/1.3503609 JN:APPLIED PHYSICS LETTERS PY:2010 TC:37 AU: Kwon, Soon-Duck;
7:10:1:4 A scalable concept for micropower generation using flow-induced self-excited oscillations
DOI:10.1063/1.3385780 JN:APPLIED PHYSICS LETTERS PY:2010 TC:23 AU: St Clair, D.;Bibo, A.;Sennakesavababu, V. R.;Daqaq, M. F.;Li, G.;
7:10:1:5 Hybrid piezoelectric-inductive flow energy harvesting and dimensionless electroaeroelastic analysis for scaling
DOI:10.1063/1.4789433 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Dias, J. A. C.;De Marqui, C., Jr.;Erturk, A.;
7:10:1:6 Energy exchange between a vortex ring and an ionic polymer metal composite
DOI:10.1063/1.3693184 JN:APPLIED PHYSICS LETTERS PY:2012 TC:21 AU: Peterson, Sean D.;Porfiri, Maurizio;
7:10:1:7 Performance enhancement of piezoelectric energy harvesters from wake galloping
DOI:10.1063/1.4816075 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Abdelkefi, A.;Scanlon, J. M.;McDowell, E.;Hajj, M. R.;
7:10:1:8 Comparative study of tip cross-sections for efficient galloping energy harvesting
DOI:10.1063/1.4792737 JN:APPLIED PHYSICS LETTERS PY:2013 TC:17 AU: Yang, Yaowen;Zhao, Liya;Tang, Lihua;
7:10:1:9 Dramatic enhancement of structure-borne wave energy harvesting using an elliptical acoustic mirror
DOI:10.1063/1.4719098 JN:APPLIED PHYSICS LETTERS PY:2012 TC:8 AU: Carrara, M.;Cacan, M. R.;Leamy, M. J.;Ruzzene, M.;Erturk, A.;
7:10:1:10 Performance of a piezoelectric energy harvester driven by air flow
DOI:10.1063/1.3676272 JN:APPLIED PHYSICS LETTERS PY:2012 TC:13 AU: Kwuimy, C. A. Kitio;Litak, G.;Borowiec, M.;Nataraj, C.;
7:10:1:11 On the optimal performance and universal design curves of galloping energy harvesters
DOI:10.1063/1.4861599 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Bibo, A.;Daqaq, M. F.;
7:10:1:12 Enhanced aeroelastic energy harvesting by exploiting combined nonlinearities: theory and experiment
DOI:10.1088/0964-1726/20/9/094007 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:31 AU: Sousa, V. C.;Anicezio, M. de M.;De Marqui, C., Jr.;Erturk, A.;
7:10:1:13 The experimental validation of a new energy harvesting system based on the wake galloping phenomenon
DOI:10.1088/0964-1726/20/5/055022 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:38 AU: Jung, Hyung-Jo;Lee, Seung-Woo;
7:10:1:14 Energy exchange during slamming impact of an ionic polymer metal composite
DOI:10.1063/1.4748577 JN:APPLIED PHYSICS LETTERS PY:2012 TC:13 AU: Cha, Y.;Phan, C. N.;Porfiri, M.;
7:10:1:15 Investigation of concurrent energy harvesting from ambient vibrations and wind using a single piezoelectric generator
DOI:10.1063/1.4811408 JN:APPLIED PHYSICS LETTERS PY:2013 TC:8 AU: Bibo, A.;Daqaq, M. F.;
7:10:1:16 Interactions of vortices with a flexible beam with applications in fluidic energy harvesting
DOI:10.1063/1.4861927 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Goushcha, O.;Elvin, N.;Andreopoulos, Y.;
7:10:1:17 Ambient wind energy harvesting using cross-flow fluttering
DOI:10.1063/1.3525045 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:59 AU: Li, Shuguang;Yuan, Jianping;Lipson, Hod;
7:10:1:18 Role of mass on the stability of flag/flags in uniform flow
DOI:10.1063/1.4813006 JN:APPLIED PHYSICS LETTERS PY:2013 TC:10 AU: Tian, Fang-Bao;
7:10:1:19 Energy harvesting using ionic electro-active polymer thin films with Ag-based electrodes
DOI:10.1088/0964-1726/19/4/045026 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:24 AU: Anand, S. V.;Arvind, K.;Bharath, P.;Mahapatra, D. Roy;
7:10:1:20 The performance of a self-excited fluidic energy harvester
DOI:10.1088/0964-1726/21/2/025007 JN:SMART MATERIALS & STRUCTURES PY:2012 TC:33 AU: Akaydin, H. D.;Elvin, N.;Andreopoulos, Y.;
7:10:1:21 Scaling the dynamic response and energy harvesting potential of piezoelectric beams
DOI:10.1063/1.4773210 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Akcabay, Deniz Tolga;Young, Yin Lu;
7:10:1:22 Ionic polymer transducers in sensing: Implications of the streaming potential hypothesis for varied electrode architecture and loading rate
DOI:10.1063/1.3456066 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:6 AU: Gao, Fei;Weiland, Lisa M.;
7:10:1:23 Aeroelastic flutter energy harvester design: the sensitivity of the driving instability to system parameters
DOI:10.1088/0964-1726/20/12/125017 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:21 AU: Bryant, Matthew;Wolff, Eric;Garcia, Ephrahim;
7:10:1:24 An energy harvester using piezoelectric cantilever beams undergoing coupled bending-torsion vibrations
DOI:10.1088/0964-1726/20/11/115007 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:31 AU: Abdelkefi, A.;Najar, F.;Nayfeh, A. H.;Ben Ayed, S.;
7:10:1:25 Design and performance of a centimetre-scale shrouded wind turbine for energy harvesting
DOI:10.1088/0964-1726/20/8/085021 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:8 AU: Howey, D. A.;Bansal, A.;Holmes, A. S.;
7:10:1:26 Generation of Lamb waves through surface mounted macro-fiber composite transducers
DOI:10.1088/0964-1726/20/2/025020 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:4 AU: Collet, M.;Ruzzene, M.;Cunefare, K. A.;
7:10:2:1 Energy-harvesting device with mechanical frequency-up conversion mechanism for increased power efficiency and wideband operation
DOI:10.1063/1.3360219 JN:APPLIED PHYSICS LETTERS PY:2010 TC:52 AU: Jung, Seok-Min;Yun, Kwang-Seok;
7:10:2:2 A two-dimensional broadband vibration energy harvester using magnetoelectric transducer
DOI:10.1063/1.4847755 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Yang, Jin;Wen, Yumei;Li, Ping;Yue, Xihai;Yu, Qiangmo;Bai, Xiaoling;
7:10:2:3 A multi-frequency sandwich type electromagnetic vibration energy harvester
DOI:10.1063/1.4722814 JN:APPLIED PHYSICS LETTERS PY:2012 TC:10 AU: Chen, Jingdong;Chen, Di;Yuan, Tao;Chen, Xiang;
7:10:2:4 Design and optimization of a bi-axial vibration-driven electromagnetic generator
DOI:10.1063/1.4895994 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Yang, Jin;Yu, Qiangmo;Zhao, Jiangxin;Zhao, Nian;Wen, Yumei;Li, Ping;Qiu, Jing;
7:10:2:5 Pre-patterned ZnO nanoribbons on soft substrates for stretchable energy harvesting applications
DOI:10.1063/1.4807320 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Ma, Teng;Wang, Yong;Tang, Rui;Yu, Hongyu;Jiang, Hanqing;
7:10:2:6 A low profile vibro-impacting energy harvester with symmetrical stops
DOI:10.1063/1.3521265 JN:APPLIED PHYSICS LETTERS PY:2010 TC:26 AU: Moss, Scott;Barry, Alex;Powlesland, Ian;Galea, Steve;Carman, Gregory P.;
7:10:2:7 Tuning of nonlinear vibration via topology variation and its application in energy harvesting
DOI:10.1063/1.3676661 JN:APPLIED PHYSICS LETTERS PY:2012 TC:11 AU: Dai, Xuhan;Miao, Xiaodan;Sui, Linghe;Zhou, Hailin;Zhao, Xiaolin;Ding, Guifu;
7:10:2:8 A non-resonant, frequency up-converted electromagnetic energy harvester from human-body-induced vibration for hand-held smart system applications
DOI:10.1063/1.4867216 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:6 AU: Halim, Miah A.;Park, Jae Y.;
7:10:2:9 Energy Harvesting from Ambient Vibrations with Arbitrary In-Plane Motion Directions Using a Magnetostrictive/Piezoelectric Laminate Composite Transducer
DOI:10.1007/s11664-014-3056-y JN:JOURNAL OF ELECTRONIC MATERIALS PY:2014 TC:1 AU: Yang, Jin;Wen, Yumei;Li, Ping;Yue, Xihai;Yu, Qiangmo;
7:10:2:10 A generator with nonlinear spring oscillator to provide vibrations of multi-frequency
DOI:10.1063/1.3664223 JN:APPLIED PHYSICS LETTERS PY:2011 TC:7 AU: Yang, Bin;Liu, Jingquan;Tang, Gang;Luo, Jiangbo;Yang, Chunsheng;Li, Yigui;
7:10:2:11 Broadband electromagnetic power harvester from vibrations via frequency conversion by impact oscillations
DOI:10.1063/1.4895927 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Yuksek, N. S.;Feng, Z. C.;Almasri, M.;
7:10:2:12 Power generation from human body motion through magnet and coil arrays with magnetic spring
DOI:10.1063/1.4865792 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Zhang, Qian;Wang, Yufeng;Kim, Eun Sok;
7:10:2:13 On square-wave-driven stochastic resonance for energy harvesting in a bistable system
DOI:10.1063/1.4903167 JN:AIP ADVANCES PY:2014 TC:1 AU: Su, Dongxu;Zheng, Rencheng;Nakano, Kimihiko;Cartmell, Matthew P.;
7:10:2:14 Random analysis on controlled buckling structure for energy harvesting
DOI:10.1063/1.4789998 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Wang, Yong;Ma, Teng;Yu, Hongyu;Jiang, Hanqing;
7:10:2:15 Frequency up-converted wide bandwidth piezoelectric energy harvester using mechanical impact
DOI:10.1063/1.4816249 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Halim, Miah A.;Khym, S.;Park, J. Y.;
7:10:2:16 Conceptual design of rotary magnetostrictive energy harvester
DOI:10.1063/1.4865976 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Park, Young-Woo;Kang, Han-Sam;Wereley, Norman M.;
7:10:3:1 Energy harvesting from base excitation of ionic polymer metal composites in fluid environments
DOI:10.1088/0964-1726/19/1/015003 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:102 AU: Aureli, Matteo;Prince, Chekema;Porfiri, Maurizio;Peterson, Sean D.;
7:10:3:2 Underwater thrust and power generation using flexible piezoelectric composites: an experimental investigation toward self-powered swimmer-sensor platforms
DOI:10.1088/0964-1726/20/12/125013 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:32 AU: Erturk, Alper;Delporte, Ghislain;
7:10:3:3 Finite amplitude vibrations of a sharp-edged beam immersed in a viscous fluid near a solid surface
DOI:10.1063/1.4765029 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:9 AU: Grimaldi, Emma;Porfiri, Maurizio;Soria, Leonardo;
7:10:3:4 Nonlinear finite amplitude torsional vibrations of cantilevers in viscous fluids
DOI:10.1063/1.4730383 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:8 AU: Aureli, Matteo;Pagano, Christopher;Porfiri, Maurizio;
7:10:3:5 Low frequency and large amplitude oscillations of cantilevers in viscous fluids
DOI:10.1063/1.3405720 JN:APPLIED PHYSICS LETTERS PY:2010 TC:26 AU: Aureli, Matteo;Porfiri, Maurizio;
7:10:3:6 Temporally-resolved hydrodynamics in the vicinity of a vibrating ionic polymer metal composite
DOI:10.1063/1.3410727 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:17 AU: Prince, Chekema;Lin, Weiyang;Lin, Jenny;Peterson, Sean D.;Porfiri, Maurizio;
7:10:3:7 A particle image velocimetry study of the flow physics generated by a thin lamina oscillating in a viscous fluid
DOI:10.1063/1.4863721 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:4 AU: Jalalisendi, Mohammad;Panciroli, Riccardo;Cha, Youngsu;Porfiri, Maurizio;
7:10:3:8 Nonlinear hydrodynamic damping of sharp-edged cantilevers in viscous fluids undergoing multi-harmonic base excitation
DOI:10.1063/1.4769307 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:11 AU: Facci, Andrea L.;Porfiri, Maurizio;
7:10:3:9 Preparation and characterization of lead-free (K0.47Na0.51Li0.02)(Nb0.8Ta0.2)O-3 piezoceramic/epoxy composites with 0-3 connectivity
DOI:10.1016/j.ceramint.2011.04.096 JN:CERAMICS INTERNATIONAL PY:2012 TC:5 AU: Le, Duc Thang;Do, Nam Binh;Kim, Dae Uk;Hong, Inki;Kim, Ill-Whan;Lee, Jae Shin;
7:10:3:10 Temporally-resolved hydrodynamics in the vicinity of a vibrating ionic polymer metal composite (vol 107, 094908, 2010)
DOI:10.1063/1.3689755 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Prince, Chekema;Lin, Weiyang;Lin, Jenny;Peterson, Sean D.;Porfiri, Maurizio;
7:10:3:11 Finite amplitude vibrations of a sharp-edged beam immersed in a viscous fluid near a solid surface (vol 112, 104907, 2012)
DOI:10.1063/1.4775734 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Grimaldi, Emma;Porfiri, Maurizio;Soria, Leonardo;
7:10:4:1 Energy harvesting from self-sustained aeroelastic limit cycle oscillations of rectangular wings
DOI:10.1063/1.4895457 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Zhao, Dan;Ega, Evan;
7:10:4:2 Development of piezoelectric microcantilever flow sensor with wind-driven energy harvesting capability
DOI:10.1063/1.4723846 JN:APPLIED PHYSICS LETTERS PY:2012 TC:20 AU: Liu, Huicong;Zhang, Songsong;Kathiresan, Ramprakash;Kobayashi, Takeshi;Lee, Chengkuo;
7:10:4:3 Rainwater- and air-driven 40 mm bladeless electromagnetic energy harvester
DOI:10.1063/1.4813907 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Zhao, Dan;Khoo, Joe;
7:10:4:4 Polymer piezoelectric energy harvesters for low wind speed
DOI:10.1063/1.4861187 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Li, Dong Jun;Hong, Seungbum;Gu, Shiyuan;Choi, YoonYoung;Nakhmanson, Serge;Heinonen, Olle;Karpeev, Dmitry;No, Kwangsoo;
7:10:4:5 Energy harvesting from a convection-driven Rijke-Zhao thermoacoustic engine
DOI:10.1063/1.4767914 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:21 AU: Zhao, Dan;Chew, Y.;
7:10:4:6 Energy harvesting from a standing wave thermoacoustic-piezoelectric resonator
DOI:10.1063/1.4712630 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:24 AU: Smoker, J.;Nouh, M.;Aldraihem, O.;Baz, A.;
7:10:4:7 Dual-mode operation of flexible piezoelectric polymer diaphragm for intracranial pressure measurement
DOI:10.1063/1.3299003 JN:APPLIED PHYSICS LETTERS PY:2010 TC:11 AU: Li, Chunyan;Wu, Pei-Ming;Shutter, Lori A.;Narayan, Raj K.;
7:10:4:8 Smart catheter flow sensor for real-time continuous regional cerebral blood flow monitoring
DOI:10.1063/1.3669705 JN:APPLIED PHYSICS LETTERS PY:2011 TC:5 AU: Li, Chunyan;Wu, Pei-Ming;Hartings, Jed A.;Wu, Zhizhen;Ahn, Chong H.;LeDoux, David;Shutter, Lori A.;Narayan, Raj K.;
7:10:4:9 Elastically bounded flapping wing for energy harvesting
DOI:10.1063/1.4729936 JN:APPLIED PHYSICS LETTERS PY:2012 TC:10 AU: Boragno, C.;Festa, R.;Mazzino, A.;
7:10:4:10 Parametric energy conversion of thermoacoustic vibrations
DOI:10.1063/1.4714693 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Guthy, C.;Van Neste, A. C. W.;Mitra, S.;Bhattacharjee, S.;Thundat, T.;
7:10:4:11 Multimodal piezoelectric wind energy harvesters
DOI:10.1088/0964-1726/20/8/085030 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:10 AU: Ovejas, V. J.;Cuadras, A.;
7:10:4:12 Rainwater- and air-driven 40 mm bladeless electromagnetic energy harvester (vol 103, 033904, 2013)
DOI:10.1063/1.4902876 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Zhao, Dan;Khoo, Joe;
7:10:5:1 A piezoelectric bistable plate for nonlinear broadband energy harvesting
DOI:10.1063/1.3487780 JN:APPLIED PHYSICS LETTERS PY:2010 TC:83 AU: Arrieta, A. F.;Hagedorn, P.;Erturk, A.;Inman, D. J.;
7:10:5:2 Bi-stable energy harvesting based on a simply supported piezoelectric buckled beam
DOI:10.1063/1.4821644 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:10 AU: Xu, Chundong;Liang, Zhu;Ren, Bo;Di, Wenning;Luo, Haosu;Wang, Dong;Wang, Kailing;Chen, Zhifang;
7:10:5:3 Energy harvesting in the super-harmonic frequency region of a twin-well oscillator
DOI:10.1063/1.3684579 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:34 AU: Masana, R.;Daqaq, M. F.;
7:10:5:4 Enhanced buckled-beam piezoelectric energy harvesting using midpoint magnetic force
DOI:10.1063/1.4816518 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Zhu, Yang;Zu, Jean W.;
7:10:5:5 Broadband vibration energy harvesting based on cantilevered piezoelectric bi-stable composites
DOI:10.1063/1.4803918 JN:APPLIED PHYSICS LETTERS PY:2013 TC:9 AU: Arrieta, A. F.;Delpero, T.;Bergamini, A. E.;Ermanni, P.;
7:10:5:6 Energy harvesting from coherent resonance of horizontal vibration of beam excited by vertical base motion
DOI:10.1063/1.4895921 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Lan, C. B.;Qin, W. Y.;
7:10:5:7 Optimal configurations of bistable piezo-composites for energy harvesting
DOI:10.1063/1.3693523 JN:APPLIED PHYSICS LETTERS PY:2012 TC:17 AU: Betts, D. N.;Kim, H. A.;Bowen, C. R.;Inman, D. J.;
7:10:5:8 Variable stiffness characteristics of embeddable multi-stable composites
DOI:10.1016/j.compscitech.2014.03.017 JN:COMPOSITES SCIENCE AND TECHNOLOGY PY:2014 TC:5 AU: Arrieta, Andres F.;Kuder, Izabela K.;Waeber, Tobias;Ermanni, Paolo;
7:10:5:9 Passive load alleviation bi-stable morphing concept
DOI:10.1063/1.4739412 JN:AIP ADVANCES PY:2012 TC:9 AU: Arrieta, A. F.;Bilgen, O.;Friswell, M. I.;Hagedorn, P.;
7:10:6:1 A physics-based model of the electrical impedance of ionic polymer metal composites
DOI:10.1063/1.4729051 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:26 AU: Cha, Youngsu;Aureli, Matteo;Porfiri, Maurizio;
7:10:6:2 Effect of metal diffusion on mechanoelectric property of ionic polymer-metal composite
DOI:10.1063/1.3517447 JN:APPLIED PHYSICS LETTERS PY:2010 TC:15 AU: Tiwari, Rashi;Kim, Kwang J.;
7:10:6:3 Mechanoelectric transduction in ionic polymer-metal composite
DOI:10.1063/1.4798496 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Tiwari, Rashi;Kim, Kwang J.;
7:10:6:4 Electrode of ionic polymer-metal composite sensors: Modeling and experimental investigation
DOI:10.1063/1.4876255 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Shen, Qi;Kim, Kwang J.;Wang, Tianmiao;
7:10:6:5 Disc-shaped ionic polymer metal composites for use in mechano-electrical applications
DOI:10.1088/0964-1726/19/6/065016 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:38 AU: Tiwari, R.;Kim, K. J.;
7:10:6:6 Prediction of the ionic polymer transducer sensing of shear loading
DOI:10.1088/0964-1726/20/9/094013 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:28 AU: Zangrilli, U.;Weiland, L. M.;
7:10:6:7 Influence of temperature on the impedance of ionic polymer metal composites
DOI:10.1016/j.matlet.2014.06.183 JN:MATERIALS LETTERS PY:2014 TC:3 AU: Cha, Youngsu;Kim, Hubert;Porfiri, Maurizio;
7:10:6:8 Implications of multiscale modeling on sensing predictions in Nafion
DOI:10.1088/0964-1726/19/9/094011 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:5 AU: Zangrilli, U.;Gao, F.;Weiland, L. M.;
7:10:7:1 Broadband energy-harvesting using a two degree-of-freedom vibrating body
DOI:10.1063/1.3595278 JN:APPLIED PHYSICS LETTERS PY:2011 TC:30 AU: Kim, In-Ho;Jung, Hyung-Jo;Lee, Bo Mi;Jang, Seon-Jun;
7:10:7:2 Enhanced broadband piezoelectric energy harvesting using rotatable magnets
DOI:10.1063/1.4803445 JN:APPLIED PHYSICS LETTERS PY:2013 TC:10 AU: Zhou, Shengxi;Cao, Junyi;Erturk, Alper;Lin, Jing;
7:10:7:3 The magnetic coupling of a piezoelectric cantilever for enhanced energy harvesting efficiency
DOI:10.1088/0964-1726/19/4/045012 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:28 AU: Lin, Ji-Tzuoh;Lee, Barclay;Alphenaar, Bruce;
7:10:7:4 A nonlinear piezoelectric energy harvester with magnetic oscillator
DOI:10.1063/1.4748794 JN:APPLIED PHYSICS LETTERS PY:2012 TC:18 AU: Tang, Lihua;Yang, Yaowen;
7:10:7:5 An innovative tri-directional broadband piezoelectric energy harvester
DOI:10.1063/1.4830371 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Su, Wei-Jiun;Zu, Jean;
7:10:7:6 Towards an autonomous self-tuning vibration energy harvesting device for wireless sensor network applications
DOI:10.1088/0964-1726/20/2/025004 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:30 AU: Challa, Vinod R.;Prasad, M. G.;Fisher, Frank T.;
7:10:7:7 A tunable kinetic energy harvester with dynamic over range protection
DOI:10.1088/0964-1726/19/11/115005 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:5 AU: Ayala-Garcia, I. N.;Zhu, D.;Tudor, M. J.;Beeby, S. P.;
7:10:8:1 Ultra-wide bandwidth piezoelectric energy harvesting
DOI:10.1063/1.3629551 JN:APPLIED PHYSICS LETTERS PY:2011 TC:44 AU: Hajati, Arman;Kim, Sang-Gook;
7:10:8:2 Bistable springs for wideband microelectromechanical energy harvesters
DOI:10.1063/1.4775687 JN:APPLIED PHYSICS LETTERS PY:2013 TC:9 AU: Nguyen, Son D.;Halvorsen, Einar;Paprotny, Igor;
7:10:8:3 Three-dimensional micro electromechanical system piezoelectric ultrasound transducer
DOI:10.1063/1.4772469 JN:APPLIED PHYSICS LETTERS PY:2012 TC:9 AU: Hajati, Arman;Latev, Dimitre;Gardner, Deane;Hajati, Azadeh;Imai, Darren;Torrey, Marc;Schoeppler, Martin;
7:10:8:4 On the stochastic excitation of monostable and bistable electroelastic power generators: Relative advantages and tradeoffs in a physical system
DOI:10.1063/1.4795296 JN:APPLIED PHYSICS LETTERS PY:2013 TC:13 AU: Zhao, S.;Erturk, A.;
7:10:8:5 Monolithic ultrasonic integrated circuits based on micromachined semi-ellipsoidal piezoelectric domes
DOI:10.1063/1.4831988 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Hajati, Arman;Latev, Dimitre;Gardner, Deane;Ottosson, Mats;Imai, Darren;Torrey, Marc;Schoeppler, Martin;
7:10:8:6 Ultra-wide frequency broadening mechanism for micro-scale electromagnetic energy harvester
DOI:10.1063/1.4863565 JN:APPLIED PHYSICS LETTERS PY:2014 TC:3 AU: Liu, Huicong;Koh, Kah How;Lee, Chengkuo;
7:10:8:7 Experimental verification of a bridge-shaped, nonlinear vibration energy harvester
DOI:10.1063/1.4902116 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Gafforelli, Giacomo;Corigliano, Alberto;Xu, Ruize;Kim, Sang-Gook;
7:10:9:1 Powering pacemakers from heartbeat vibrations using linear and nonlinear energy harvesters
DOI:10.1063/1.3679102 JN:APPLIED PHYSICS LETTERS PY:2012 TC:42 AU: Karami, M. Amin;Inman, Daniel J.;
7:10:9:2 Charge redistribution in piezoelectric energy harvesters
DOI:10.1063/1.3685701 JN:APPLIED PHYSICS LETTERS PY:2012 TC:11 AU: Stewart, Mark;Weaver, Paul M.;Cain, Markys;
7:10:9:3 Size effect of flexible proof mass on the mechanical behavior of micron-scale cantilevers for energy harvesting applications
DOI:10.1063/1.3663858 JN:APPLIED PHYSICS LETTERS PY:2011 TC:8 AU: Kim, Miso;Hong, Seungbum;Miller, Dean J.;Dugundji, John;Wardle, Brian L.;
7:10:9:4 On the minimum coupling required for maximum theoretical power capture from vibration energy harvesters
DOI:10.1063/1.4749824 JN:APPLIED PHYSICS LETTERS PY:2012 TC:0 AU: Kim, D.;Hewa-Kasakarage, N. N.;Yoon, S.;Hall, N. A.;
7:10:9:5 Coulomb-damped resonant generators using piezoelectric transduction
DOI:10.1063/1.4726108 JN:APPLIED PHYSICS LETTERS PY:2012 TC:0 AU: Miller, L. M.;Mitcheson, P. D.;Halvorsen, E.;Wright, P. K.;
7:10:9:6 Enhanced energy harvesting performance of the piezoelectric unimorph with perpendicular electrodes
DOI:10.1063/1.4891851 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Ma, Ming;Xia, Song;Li, Zhenrong;Xu, Zhuo;Yao, Xi;
7:10:9:7 Piezoelectric conversion and energy harvesting enhancement by initial energy injection
DOI:10.1063/1.3462304 JN:APPLIED PHYSICS LETTERS PY:2010 TC:15 AU: Lallart, Mickael;Guyomar, Daniel;
7:10:9:8 Medical Applications of Piezoelectric Microelectromechanical Systems
DOI:10.1080/10584587.2012.694741 JN:INTEGRATED FERROELECTRICS PY:2013 TC:0 AU: Griggio, F.;Kim, H.;Ural, S. O.;Jackson, T. N.;Choi, K.;Tutwiler, R. L.;Trolier-Mckinstry, S.;
7:10:9:9 Ear canal dynamic motion as a source of power for in-ear devices
DOI:10.1063/1.4792307 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Delnavaz, Aidin;Voix, Jeremie;
7:10:10:1 Magnetopiezoelastic energy harvesting driven by random excitations
DOI:10.1063/1.3436553 JN:APPLIED PHYSICS LETTERS PY:2010 TC:57 AU: Litak, G.;Friswell, M. I.;Adhikari, S.;
7:10:10:2 A broadband vibrational energy harvester
DOI:10.1063/1.4729875 JN:APPLIED PHYSICS LETTERS PY:2012 TC:9 AU: Van Blarigan, Louis;Danzl, Per;Moehlis, Jeff;
7:10:10:3 A magnetoelectric energy harvester with the magnetic coupling to enhance the output performance
DOI:10.1063/1.3677877 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Bai, Xiaoling;Wen, Yumei;Yang, Jin;Li, Ping;Qiu, Jing;Zhu, Ying;
7:10:10:4 Fabrication of Relaxer-Based Piezoelectric Energy Harvesters Using a Sacrificial Poly-Si Seeding Layer
DOI:10.1007/s11664-014-3308-x JN:JOURNAL OF ELECTRONIC MATERIALS PY:2014 TC:2 AU: Fuentes-Fernandez, E. M. A.;Salomon-Preciado, A. M.;Gnade, B. E.;Quevedo-Lopez, M. A.;Shah, P.;Alshareef, H. N.;
7:10:10:5 The analysis of piezomagnetoelastic energy harvesters under broadband random excitations
DOI:10.1063/1.3560523 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:35 AU: Ali, S. F.;Adhikari, S.;Friswell, M. I.;Narayanan, S.;
7:10:10:6 Piezoelectric energy harvesting with parametric uncertainty
DOI:10.1088/0964-1726/19/10/105010 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:15 AU: Ali, S. F.;Friswell, M. I.;Adhikari, S.;
7:10:10:7 Nonlinear vibration energy harvester using diamagnetic levitation
DOI:10.1063/1.3583675 JN:APPLIED PHYSICS LETTERS PY:2011 TC:4 AU: Liu, L.;Yuana, F. G.;
7:10:10:8 Fabrication and Characterization of Pb(Zr-0.53,Ti-0.47)O-3-Pb(Nb-1/3,Zn-2/3)O-3 Thin Films on Cantilever Stacks
DOI:10.1007/s11664-010-1407-x JN:JOURNAL OF ELECTRONIC MATERIALS PY:2011 TC:3 AU: Fuentes-Fernandez, E.;Debray-Mechtaly, W.;Quevedo-Lopez, M. A.;Gnade, B.;Rajasekaran, A.;Hande, A.;Shah, P.;Alshareef, H. N.;
7:10:11:1 Broadband vibration-based energy harvesting improvement through frequency up-conversion by magnetic excitation
DOI:10.1088/0964-1726/19/6/065020 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:47 AU: Wickenheiser, A. M.;Garcia, E.;
7:10:11:2 A wideband vibration energy harvester based on a folded asymmetric gapped cantilever
DOI:10.1063/1.4863923 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Hu, Yating;Xu, Yong;
7:10:11:3 Power enhancing by reversing mode sequence in tuned mass-spring unit attached vibration energy harvester
DOI:10.1063/1.4813314 JN:AIP ADVANCES PY:2013 TC:5 AU: Kim, Jae Eun;Kim, Yoon Young;
7:10:11:4 Experimental Duffing oscillator for broadband piezoelectric energy harvesting
DOI:10.1088/0964-1726/20/10/102001 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:32 AU: Sebald, Gael;Kuwano, Hiroki;Guyomar, Daniel;Ducharne, Benjamin;
7:10:11:5 Piezoelectric energy harvester converting strain energy into kinetic energy for extremely low frequency operation
DOI:10.1063/1.4869130 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Kwon, Dae-Sung;Ko, Hee-Jin;Kim, Min-Ook;Oh, Yongkeun;Sim, Jaesam;Lee, Kyounghoon;Cho, Kyung-Ho;Kim, Jongbaeg;
7:10:11:6 A small-form-factor piezoelectric vibration energy harvester using a resonant frequency-down conversion
DOI:10.1063/1.4898662 JN:AIP ADVANCES PY:2014 TC:0 AU: Sun, Kyung Ho;Kim, Young-Cheol;Kim, Jae Eun;
7:10:11:7 Plucked piezoelectric bimorphs for knee-joint energy harvesting: modelling and experimental validation
DOI:10.1088/0964-1726/20/5/055007 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:23 AU: Pozzi, Michele;Zhu, Meiling;
7:10:11:8 Bi-stable frequency up-conversion piezoelectric energy harvester driven by non-contact magnetic repulsion
DOI:10.1088/0964-1726/20/12/125011 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:16 AU: Tang, Q. C.;Yang, Y. L.;Li, Xinxin;
7:10:12:1:1 Revisit of series-SSHI with comparisons to other interfacing circuits in piezoelectric energy harvesting
DOI:10.1088/0964-1726/19/12/125009 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:39 AU: Lien, I. C.;Shu, Y. C.;Wu, W. J.;Shiu, S. M.;Lin, H. C.;
7:10:12:1:2 Improving the performance of a piezoelectric energy harvester using a variable thickness beam
DOI:10.1088/0964-1726/19/10/105020 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:18 AU: Paquin, Simon;St-Amant, Yves;
7:10:12:1:3 Analysis of synchronized charge extraction for piezoelectric energy harvesting
DOI:10.1088/0964-1726/20/8/085022 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:20 AU: Tang, Lihua;Yang, Yaowen;
7:10:12:1:4 Analysis of piezoelectric circular diaphragm energy harvesters for use in a pressure fluctuating system
DOI:10.1088/0964-1726/19/2/025016 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:22 AU: Mo, Changki;Radziemski, Leon J.;Clark, William W.;
7:10:12:1:5 Experimental validation of energy harvesting performance for pressure-loaded piezoelectric circular diaphragms
DOI:10.1088/0964-1726/19/7/075010 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:14 AU: Mo, Changki;Radziemski, Leon J.;Clark, William W.;
7:10:12:2:1 Optimization of an electret-based energy harvester
DOI:10.1088/0964-1726/19/7/075015 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:32 AU: Boisseau, S.;Despesse, G.;Sylvestre, A.;
7:10:12:2:2 Ferroelectric dipole electrets for output power enhancement in electrostatic vibration energy harvesters
DOI:10.1063/1.4824831 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Asanuma, Haruhiko;Oguchi, Hiroyuki;Hara, Motoaki;Yoshida, Ryo;Kuwano, Hiroki;
7:10:12:2:3 Transient Charging Behavior of an Energy Harvesting System Using SSHI Interface
DOI:10.1080/10584587.2014.903764 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Fan, Kangqi;Xu, Chunhui;
7:10:12:2:4 Cantilever-based electret energy harvesters
DOI:10.1088/0964-1726/20/10/105013 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:23 AU: Boisseau, S.;Despesse, G.;Ricart, T.;Defay, E.;Sylvestre, A.;
7:10:13:1 Structure-performance relationships for cantilever-type piezoelectric energy harvesters
DOI:10.1063/1.4879876 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Cho, Kyung-Hoon;Park, Hwi-Yeol;Heo, Jin S.;Priya, Shashank;
7:10:13:2 Energy harvester array using piezoelectric circular diaphragm for broadband vibration
DOI:10.1063/1.4878537 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Xiao, Zhao;Yang, Tong Qing;Dong, Ying;Wang, Xiu Cai;
7:10:13:3 Increased piezoelectric energy harvesting from human footstep motion by using an amplification mechanism
DOI:10.1063/1.4897624 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Xie, Longhan;Cai, Mingjing;
7:10:13:4 Micro-fabricated lead zirconate titanate bent cantilever energy harvester with multi-dimensional operation
DOI:10.1063/1.4789754 JN:APPLIED PHYSICS LETTERS PY:2013 TC:7 AU: Park, J. C.;Khym, S.;Park, J. Y.;
7:10:13:5 Powering a wireless sensor node with a vibration-driven piezoelectric energy harvester
DOI:10.1088/0964-1726/20/12/125006 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:15 AU: Reilly, Elizabeth K.;Burghardt, Fred;Fain, Romy;Wright, Paul;
7:10:13:6 Vibration energy harvesting with a clamped piezoelectric circular diaphragm
DOI:10.1016/j.ceramint.2011.04.099 JN:CERAMICS INTERNATIONAL PY:2012 TC:14 AU: Chen, Xu-rui;Yang, Tong-qing;Wang, Wei;Yao, Xi;
7:10:14:1 Piezoelectric films for high frequency ultrasonic transducers in biomedical applications
DOI:10.1016/j.pmatsci.2010.09.001 JN:PROGRESS IN MATERIALS SCIENCE PY:2011 TC:50 AU: Zhou, Qifa;Lau, Sienting;Wu, Dawei;Shung, Kirk;
7:10:14:2 Enhanced piezoelectric performance of composite sol-gel thick films evaluated using piezoresponse force microscopy
DOI:10.1063/1.4801975 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Liu, Yuanming;Lam, Kwok Ho;Shung, K. Kirk;Li, Jiangyu;Zhou, Qifa;
7:10:14:3 Lift-Off PMN-PT Thick Film for High-Frequency Ultrasonic Biomicroscopy
DOI:10.1111/j.1551-2916.2010.03873.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:10 AU: Zhu, Benpeng;Han, Jiangxue;Shi, Jing;Shung, Koping Krik;Wei, Qing;Huang, Yuhong;Kosec, Marija;Zhou, Qifa;
7:10:14:4 PMN-PT single crystal thick films on silicon substrate for high-frequency micromachined ultrasonic transducers
DOI:10.1007/s00339-009-5381-1 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:7 AU: Peng, J.;Lau, S. T.;Chao, C.;Dai, J. Y.;Chan, H. L. W.;Luo, H. S.;Zhu, B. P.;Zhou, Q. F.;Shung, K. K.;
7:10:14:5 Silver doped 0.9PMN-PT-0.1PZT composite films for very high frequency ultrasonic transducer applications
DOI:10.1007/s00339-013-7558-x JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:1 AU: Hsu, Hsiu-Sheng;Benjauthrit, Vatcharee;Wei, Qiang;Huang, Yuhong;Zhou, Qifa;Shung, K. Kirk;
7:10:14:6 Sol-gel derived PMN-PT thick films for high frequency ultrasound linear array applications
DOI:10.1016/j.ceramint.2013.04.054 JN:CERAMICS INTERNATIONAL PY:2013 TC:2 AU: Zhu, B. P.;Wu, D. W.;Zhang, Y.;Ou-Yang, J.;Chen, S.;Yang, X. F.;
7:10:15:1 Poisson noise induced switching in driven micromechanical resonators
DOI:10.1103/PhysRevB.86.155420 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Zou, J.;Buvaev, S.;Dykman, M.;Chan, H. B.;
7:10:15:2 The role of excitations statistic and nonlinearity in energy harvesting from random impulsive excitations
DOI:10.1063/1.3647556 JN:APPLIED PHYSICS LETTERS PY:2011 TC:17 AU: Khovanova, N. A.;Khovanov, I. A.;
7:10:15:3 Concise and high-fidelity predictive criteria for maximizing performance and robustness of bistable energy harvesters
DOI:10.1063/1.4790381 JN:APPLIED PHYSICS LETTERS PY:2013 TC:18 AU: Harne, R. L.;Thota, M.;Wang, K. W.;
7:10:15:4 Numerical simulations versus theoretical predictions for a non-Gaussian noise induced escape problem in application to full counting statistics
DOI:10.1103/PhysRevB.89.085419 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Khovanov, I. A.;Khovanova, N. A.;
7:10:15:5 Switching Exponent Scaling near Bifurcation Points for Non-Gaussian Noise
DOI:10.1103/PhysRevLett.104.140601 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:6 AU: Billings, Lora;Schwartz, Ira B.;McCrary, Marie;Korotkov, A. N.;Dykman, M. I.;
7:10:16:1 Sensor shape design for piezoelectric cantilever beams to harvest vibration energy
DOI:10.1063/1.3457330 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:27 AU: Friswell, Michael I.;Adhikari, Sondipon;
7:10:16:2 Performance of unimorph cantilever generator using Cr/Nb doped Pb(Zr0.54Ti0.46)O-3 thick film for energy harvesting device applications
DOI:10.1016/j.jeurceramsoc.2012.09.001 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:10 AU: Kim, Kyoung-Bum;Kim, Chang-Il;Jeong, Young Hun;Lee, Young-Jin;Cho, Jeong-Ho;Paik, Jong-Hoo;Nahm, Sahn;
7:10:16:3 Vibration energy harvesting using piezoelectric unimorph cantilevers with unequal piezoelectric and nonpiezoelectric lengths
DOI:10.1063/1.3521389 JN:APPLIED PHYSICS LETTERS PY:2010 TC:10 AU: Gao, Xiaotong;Shih, Wei-Heng;Shih, Wan Y.;
7:10:16:4 The potential comb improves the efficiency of low-frequency energy harvesting
DOI:10.1063/1.3592189 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Gendelman, B.;Gendelman, O.;Pogreb, R.;Bormashenko, E.;
7:10:16:5 A piezoelectric device for impact energy harvesting
DOI:10.1088/0964-1726/20/10/105008 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:12 AU: Jacquelin, E.;Adhikari, S.;Friswell, M. I.;
7:10:16:6 A geometric parameter study of piezoelectric coverage on a rectangular cantilever energy harvester
DOI:10.1088/0964-1726/20/8/085004 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:7 AU: Patel, R.;McWilliam, S.;Popov, A. A.;
7:10:17:1 A wideband acoustic energy harvester using a three degree-of-freedom architecture
DOI:10.1063/1.4826257 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Peng, Xiao;Wen, Yumei;Li, Ping;Yang, Aichao;Bai, Xiaoling;
7:10:17:2 Nanostructured graphene for energy harvesting
DOI:10.1103/PhysRevB.84.161401 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Lopez-Suarez, Miquel;Rurali, Riccardo;Gammaitoni, Luca;Abadal, Gabriel;
7:10:17:3 Inducing bistability with local electret technology in a microcantilever based non-linear vibration energy harvester
DOI:10.1063/1.4800926 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Lopez-Suarez, M.;Agusti, J.;Torres, F.;Rurali, R.;Abadal, G.;
7:10:17:4 Locally resonant periodic structures with low-frequency band gaps
DOI:10.1063/1.4816052 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Cheng, Zhibao;Shi, Zhifei;Mo, Y. L.;Xiang, Hongjun;
7:10:17:5 Seismic isolation of two dimensional periodic foundations
DOI:10.1063/1.4891837 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Yan, Y.;Laskar, A.;Cheng, Z.;Menq, F.;Tang, Y.;Mo, Y. L.;Shi, Z.;
7:10:17:6 Acoustic energy harvesting by piezoelectric curved beams in the cavity of a sonic crystal
DOI:10.1088/0964-1726/19/4/045016 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:25 AU: Wang, Wei-Chung;Wu, Liang-Yu;Chen, Lien-Wen;Liu, Chia-Ming;
7:10:18:1 Multi-resonant energy harvester exploiting high-mode resonances frequency down-shifted by a flexible body beam
DOI:10.1063/1.4754147 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Seo, Min-Ho;Choi, Dong-Hoon;Kim, In-Ho;Jung, Hyung-Jo;Yoon, Jun-Bo;
7:10:18:2 A Branched Beam-Based Vibration Energy Harvester
DOI:10.1007/s11664-014-3398-5 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2014 TC:0 AU: Zhang, Guangcheng;Hu, Junhui;
7:10:18:3 Multi-resonant energy harvester exploiting high-mode resonances frequency down-shifted by a flexible body beam (vol 101, 123903, 2012)
DOI:10.1063/1.4759465 JN:APPLIED PHYSICS LETTERS PY:2012 TC:2 AU: Seo, Min-Ho;Choi, Dong-Hoon;Kim, In-Ho;Jung, Hyung-Jo;Yoon, Jun-Bo;
7:10:18:4 Design of a multiresonant beam for broadband piezoelectric energy harvesting
DOI:10.1088/0964-1726/19/9/094009 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:21 AU: Qi, Shaofan;Shuttleworth, Roger;Oyadiji, S. Olutunde;Wright, Jan;
7:10:18:5 Liquid-based electrostatic energy harvester with high sensitivity to human physical motion
DOI:10.1088/0964-1726/20/12/125012 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:10 AU: Choi, Dong-Hoon;Han, Chang-Hoon;Kim, Hyun-Don;Yoon, Jun-Bo;
7:10:19:1 Resonant manifestation of intrinsic nonlinearity within electroelastic micropower generators
DOI:10.1063/1.3530449 JN:APPLIED PHYSICS LETTERS PY:2010 TC:20 AU: Stanton, Samuel C.;Erturk, Alper;Mann, Brian P.;Inman, Daniel J.;
7:10:19:2 Nonlinear piezoelectricity in electroelastic energy harvesters: Modeling and experimental identification
DOI:10.1063/1.3486519 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:37 AU: Stanton, Samuel C.;Erturk, Alper;Mann, Brian P.;Inman, Daniel J.;
7:10:19:3 Parametrically excited nonlinear piezoelectric compact wind turbine
DOI:10.1016/j.renene.2012.07.037 JN:RENEWABLE ENERGY PY:2013 TC:8 AU: Karami, M. Amin;Farmer, Justin R.;Inman, Daniel J.;
7:10:20:1 Electromagnetic hydrophone with tomographic system for absolute velocity field mapping
DOI:10.1063/1.4726178 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Grasland-Mongrain, Pol;Mari, Jean-Martial;Gilles, Bruno;Chapelon, Jean-Yves;Lafon, Cyril;
7:10:20:2 Tip-sensitive all-silica fiber-optic Fabry-Perot ultrasonic hydrophone for charactering high intensity focused ultrasound fields
DOI:10.1063/1.4816329 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Wang, D. H.;Jia, P. G.;Wang, S. J.;Zhao, C. L.;Zeng, D. P.;Wang, H.;Li, F. Q.;
7:10:20:3 Low frequency driven oscillations of cantilevers in viscous fluids at very low Reynolds number
DOI:10.1063/1.4805072 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Cranch, G. A.;Lane, J. E.;Miller, G. A.;Lou, J. W.;
7:10:20:4 Acoustic characterization of high intensity focused ultrasound fields generated from a transmitter with a large aperture
DOI:10.1063/1.4868597 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Chen, Tao;Fan, Tingbo;Zhang, Wei;Qiu, Yuanyuan;Tu, Juan;Guo, Xiasheng;Zhang, Dong;
7:10:21:1 Energy harvesting: State-of-the-art
DOI:10.1016/j.renene.2010.06.014 JN:RENEWABLE ENERGY PY:2011 TC:88 AU: Harb, Adnan;
7:10:21:2 An optimized energy harvester for moving mass induced vibration
DOI:10.1088/0964-1726/20/5/055017 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:0 AU: Bai, Mingsian R.;Tsai, Yao Kun;
7:10:21:3 Piezoelectric Water Drop Energy Harvesting
DOI:10.1007/s11664-013-2826-2 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2014 TC:0 AU: Al Ahmad, Mahmoud;
7:10:21:4 Design and characterization of an electromagnetic energy harvester for vehicle suspensions
DOI:10.1088/0964-1726/19/4/045003 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:29 AU: Zuo, Lei;Scully, Brian;Shestani, Jurgen;Zhou, Yu;
7:10:22:1 Hybrid rotary-translational vibration energy harvester using cycloidal motion as a mechanical amplifier
DOI:10.1063/1.4861601 JN:APPLIED PHYSICS LETTERS PY:2014 TC:3 AU: Moss, Scott D.;Hart, Genevieve A.;Burke, Stephen K.;Carman, Gregory P.;
7:10:22:2 Enhancing mechanical energy harvesting with dynamics escaped from potential well
DOI:10.1063/1.3694272 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Ma, T.;Zhang, H.;
7:10:22:3 Reaping the potentials of nonlinear energy harvesting with tunable damping and modulation of the forcing functions
DOI:10.1063/1.4879846 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Ma, T.;Zhang, H.;
7:10:22:4 A tunable rotational energy harvester for low frequency vibration
DOI:10.1063/1.3644130 JN:APPLIED PHYSICS LETTERS PY:2011 TC:7 AU: Jang, Seon-Jun;Kim, In-Ho;Jung, Hyung-Jo;Lee, Yoon-Pyo;
7:10:23:1 High power density vibration energy harvester with high permeability magnetic material
DOI:10.1063/1.3549607 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Xing, X.;Yang, G. M.;Liu, M.;Lou, J.;Obi, O.;Sun, N. X.;
7:10:23:2 Right-angle piezoelectric cantilever with improved energy harvesting efficiency
DOI:10.1063/1.3374880 JN:APPLIED PHYSICS LETTERS PY:2010 TC:15 AU: Xu, Jia Wen;Shao, Wei Wei;Kong, Fan Rang;Feng, Zhi Hua;
7:10:23:3 Nanocrystalline ribbons for energy harvesting applications
DOI:10.1063/1.4864437 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Chiriac, H.;Tibu, M.;Lupu, N.;Skorvanek, I.;Ovari, T. -A.;
7:10:24:1 Influence of pulse poling on the piezoelectric property of Pb(Zr-0.52, Ti-0.48)O-3 thin films
DOI:10.1063/1.4901912 JN:AIP ADVANCES PY:2014 TC:0 AU: Kobayashi, Takeshi;Suzuki, Yasuhiro;Makimoto, Natsumi;Funakubo, Hiroshi;Maeda, Ryutaro;
7:10:24:2 A digital output piezoelectric accelerometer using a Pb(Zr, Ti)O-3 thin film array electrically connected in series
DOI:10.1088/0964-1726/19/10/105030 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:15 AU: Kobayashi, T.;Okada, H.;Masuda, T.;Maeda, R.;Itoh, T.;
7:10:24:3 A digital output accelerometer using MEMS-based piezoelectric accelerometers and arrayed CMOS inverters with satellite capacitors
DOI:10.1088/0964-1726/20/6/065017 JN:SMART MATERIALS & STRUCTURES PY:2011 TC:4 AU: Kobayashi, T.;Okada, H.;Masuda, T.;Maeda, R.;Itoh, T.;
7:11:1:1 Origin of the giant magnetic moment in epitaxial Fe3O4 thin films
DOI:10.1103/PhysRevB.81.144420 JN:PHYSICAL REVIEW B PY:2010 TC:21 AU: Orna, J.;Algarabel, P. A.;Morellon, L.;Pardo, J. A.;de Teresa, J. M.;Lopez Anton, R.;Bartolome, F.;Garcia, L. M.;Bartolome, J.;Cezar, J. C.;Wildes, A.;
7:11:1:2 Probing One Antiferromagnetic Antiphase Boundary and Single Magnetite Domain Using Nanogap Contacts
DOI:10.1021/nl902973p JN:NANO LETTERS PY:2010 TC:20 AU: Wu, Han-Chun;Abid, Mohamed;Chun, Byong S.;Ramos, Rafael;Mryasov, Oleg N.;Shvets, Igor V.;
7:11:1:3 Spin and orbital moments of nanoscale Fe3O4 epitaxial thin film on MgO/GaAs(100)
DOI:10.1063/1.4871001 JN:APPLIED PHYSICS LETTERS PY:2014 TC:6 AU: Liu, W. Q.;Xu, Y. B.;Wong, P. K. J.;Maltby, N. J.;Li, S. P.;Wang, X. F.;Du, J.;You, B.;Wu, J.;Bencok, P.;Zhang, R.;
7:11:1:4 Positive antiphase boundary domain wall magnetoresistance in Fe3O4 (110) heteroepitaxial films
DOI:10.1103/PhysRevB.83.134436 JN:PHYSICAL REVIEW B PY:2011 TC:14 AU: Sofin, R. G. S.;Arora, S. K.;Shvets, I. V.;
7:11:1:5 Magnetic and transport properties of epitaxial stepped Fe3O4(100) thin films
DOI:10.1063/1.4897001 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Wu, Han-Chun;Syrlybekov, Askar;Mauit, Ozhet;Mouti, Anas;Coileain, Cormac O.;Abid, Mourad;Abid, Mohamed;Shvets, Igor V.;
7:11:1:6 Anomalous magnetization reversal due to proximity effect of antiphase boundaries
DOI:10.1103/PhysRevB.84.212403 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Sofin, R. G. S.;Wu, Han-Chun;Shvets, I. V.;
7:11:1:7 Gate voltage induced phase transition in magnetite nanowires
DOI:10.1063/1.4793529 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Gooth, Johannes;Zierold, Robert;Gluschke, Jan G.;Boehnert, Tim;Edinger, Stefan;Barth, Sven;Nielsch, Kornelius;
7:11:1:8 Verwey transition in Fe3O4 thin films: Influence of oxygen stoichiometry and substrate-induced microstructure
DOI:10.1103/PhysRevB.90.125142 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Liu, X. H.;Rata, A. D.;Chang, C. F.;Komarek, A. C.;Tjeng, L. H.;
7:11:1:9 Transversal magneto-resistance in epitaxial Fe3O4 and Fe3O4/NiO exchange biased system
DOI:10.1063/1.4739951 JN:APPLIED PHYSICS LETTERS PY:2012 TC:5 AU: Wu, Han-Chun;Ramos, R.;Sofin, R. G. S.;Liao, Zhi-Min;Abid, M.;Shvets, I. V.;
7:11:1:10 Epitaxial growth and magnetic properties of ultrathin iron oxide films on BaTiO3(001)
DOI:10.1063/1.4821259 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Babu, V. Hari;Govind, R. K.;Schindler, K. -M.;Welke, M.;Denecke, R.;
7:11:1:11 Epitaxial growth of gamma-Fe2O3 thin films on MgO substrates by pulsed laser deposition and their properties
DOI:10.1016/j.actamat.2012.10.003 JN:ACTA MATERIALIA PY:2013 TC:5 AU: Huang, X. L.;Yang, Y.;Ding, J.;
7:11:1:12 Charge ordering in reactive sputtered (100) and (111) oriented epitaxial Fe3O4 films
DOI:10.1016/j.scriptamat.2013.02.050 JN:SCRIPTA MATERIALIA PY:2013 TC:3 AU: Mi, Wenbo;Guo, Zaibing;Wang, Qingxiao;Yang, Yang;Bai, Haili;
7:11:1:13 Thickness Dependence of Fe3O4/MgO Thin Film Properties: Density Functional Theory Investigation
DOI:10.1080/10584587.2014.905408 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Pramchu, Sittichain;Laosiritaworn, Yongyut;
7:11:1:14 Characterization of Fe3O4/GaAs(100) ultrathin films prepared by oxidizing kinetically-stabilized Fe layers
DOI:10.1016/j.tsf.2012.10.092 JN:THIN SOLID FILMS PY:2012 TC:1 AU: Lee, Jae-Min;Cho, Deok-Yong;Kim, Yongsam;Noh, D. Y.;Park, B. -G.;Kim, J. -Y.;Oh, S. -J.;
7:11:1:15 Lattice template effect on epitaxial gamma-Fe2O3 films prepared by metal organic deposition
DOI:10.1063/1.3309770 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:5 AU: Manago, Takashi;Sonobe, Tomoyuki;Yamaguchi, Iwao;Takano, Fumiyoshi;
7:11:2:1 Structural transformation in magnetite below the Verwey transition
DOI:10.1103/PhysRevB.83.104105 JN:PHYSICAL REVIEW B PY:2011 TC:30 AU: Blasco, Javier;Garcia, Joaquin;Subias, Gloria;
7:11:2:2 First-principles determination of charge and orbital interactions in Fe3O4
DOI:10.1103/PhysRevB.81.205113 JN:PHYSICAL REVIEW B PY:2010 TC:13 AU: Zhou, Fei;Ceder, Gerbrand;
7:11:2:3 Symmetry of Orbital Order in Fe3O4 Studied by Fe L-2,L-3 Resonant X-Ray Diffraction
DOI:10.1103/PhysRevLett.108.227203 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:9 AU: Tanaka, A.;Chang, C. F.;Buchholz, M.;Trabant, C.;Schierle, E.;Schlappa, J.;Schmitz, D.;Ott, H.;Metcalf, P.;Tjeng, L. H.;Schuessler-Langeheine, C.;
7:11:2:4 Electronic orders in the Verwey structure of magnetite
DOI:10.1103/PhysRevB.85.125119 JN:PHYSICAL REVIEW B PY:2012 TC:9 AU: Senn, Mark S.;Loa, Ingo;Wright, Jon P.;Attfield, J. Paul;
7:11:2:5 Analysis of charge and orbital order in Fe3O4 by Fe L-2,L-3 resonant x-ray diffraction
DOI:10.1103/PhysRevB.88.195110 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Tanaka, A.;Chang, C. F.;Buchholz, M.;Trabant, C.;Schierle, E.;Schlappa, J.;Schmitz, D.;Ott, H.;Metcalf, P.;Tjeng, L. H.;Schuessler-Langeheine, C.;
7:11:2:6 Hybrid DFT calculation of Fe-57 NMR resonances and orbital order in magnetite
DOI:10.1103/PhysRevB.90.075134 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Patterson, C. H.;
7:11:2:7 Time-resolved resonant soft x-ray diffraction with free-electron lasers: Femtosecond dynamics across the Verwey transition in magnetite
DOI:10.1063/1.3584855 JN:APPLIED PHYSICS LETTERS PY:2011 TC:14 AU: Pontius, N.;Kachel, T.;Schuessler-Langeheine, C.;Schlotter, W. F.;Beye, M.;Sorgenfrei, F.;Chang, C. F.;Foehlisch, A.;Wurth, W.;Metcalf, P.;Leonov, I.;Yaresko, A.;Stojanovic, N.;Berglund, M.;Guerassimova, N.;Duesterer, S.;Redlin, H.;Duerr, H. A.;
7:11:2:8 Anharmonicity due to Electron-Phonon Coupling in Magnetite
DOI:10.1103/PhysRevLett.110.207204 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:6 AU: Hoesch, Moritz;Piekarz, Przemyslaw;Bosak, Alexey;Le Tacon, Mathieu;Krisch, Michael;Kozlowski, Andrzej;Oles, Andrzej M.;Parlinski, Krzysztof;
7:11:2:9 Size Dependence of Metal-Insulator Transition in Stoichiometric Fe3O4 Nanocrystals
DOI:10.1021/acs.nanolett.5b00331 JN:NANO LETTERS PY:2015 TC:0 AU: Lee, Jisoo;Kwon, Soon Gu;Park, Je-Geun;Hyeon, Taeghwan;
7:11:2:10 Speed limit of the insulator-metal transition in magnetite
DOI:10.1038/NMAT3718 JN:NATURE MATERIALS PY:2013 TC:19 AU: de Jong, S.;Kukreja, R.;Trabant, C.;Pontius, N.;Chang, C. F.;Kachel, T.;Beye, M.;Sorgenfrei, F.;Back, C. H.;Braeuer, B.;Schlotter, W. F.;Turner, J. J.;Krupin, O.;Doehler, M.;Zhu, D.;Hossain, M. A.;Scherz, A. O.;Fausti, D.;Novelli, F.;Esposito, M.;Lee, W. S.;Chuang, Y. D.;Lu, D. H.;Moore, R. G.;Yi, M.;Trigo, M.;Kirchmann, P.;Pathey, L.;Golden, M. S.;Buchholz, M.;Metcalf, P.;Parmigiani, F.;Wurth, W.;Foehlisch, A.;Schuessler-Langeheine, C.;Duerr, H. A.;
7:11:2:11 Nuclear inelastic scattering studies of lattice dynamics in magnetite with a first- and second-order Verwey transition
DOI:10.1103/PhysRevB.85.104301 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Kolodziej, Tomasz;Kozlowski, Andrzej;Piekarz, Przemyslaw;Tabis, Wojciech;Kakol, Zbigniew;Zajac, Marcin;Tarnawski, Zbigniew;Honig, Juergen M.;Oles, Andrzej M.;Parlinski, Krzysztof;
7:11:2:12 Direct Observation of Charge Ordering in Magnetite Using Resonant Multiwave X-Ray Diffraction
DOI:10.1103/PhysRevLett.108.146404 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:7 AU: Weng, Shih-Chang;Lee, Yen-Ru;Chen, Cheng-Gang;Chu, Chia-Hung;Soo, Yun-Liang;Chang, Shih-Lin;
7:11:2:13 Comment on "Direct Observation of Charge Ordering in Magnetite Using Resonant Multiwave X-Ray Diffraction"
DOI:10.1103/PhysRevLett.109.049701 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:1 AU: Garcia, Joaquin;Subias, Gloria;
7:11:2:14 Intrinsic and extrinsic x-ray absorption effects in soft x-ray diffraction from the superstructure in magnetite
DOI:10.1103/PhysRevB.83.073105 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Chang, C. F.;Schlappa, J.;Buchholz, M.;Tanaka, A.;Schierle, E.;Schmitz, D.;Ott, H.;Sutarto, R.;Willers, T.;Metcalf, P.;Tjeng, L. H.;Schuessler-Langeheine, C.;
7:11:2:15 Molecular dynamics potentials in magnetite (Fe3O4) modeling
DOI:10.1016/j.commatsci.2011.06.007 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2011 TC:2 AU: Soontrapa, C.;Chen, Y.;
7:11:2:16 Symmetry of Orbital Order in Fe3O4 Studied by Fe L-2,L-3 Resonant X-Ray Diffraction (vol 108, 227203, 2012)
DOI:10.1103/PhysRevLett.109.119901 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:0 AU: Tanaka, A.;Chang, C. F.;Buchholz, M.;Trabant, C.;Schierle, E.;Schlappa, J.;Schmitz, D.;Ott, H.;Metcalf, P.;Tjeng, L. H.;Schuessler-Langeheine, C.;
7:11:2:17 Nanoparticle Assemblies as Memristors (vol 9, pg 2229, 2009)
DOI:10.1021/nl101926w JN:NANO LETTERS PY:2010 TC:1 AU: Kim, Tae Hee;Jang, Eun Young;Lee, Nyun Jong;Choi, Deung Jang;Lee, Kyung-Jin;Jang, Jung-tak;Choi, Jin-sil;Moon, Seung Ho;Cheon, Jinwoo;
7:11:3:1 Semiconductor-half metal transition at the Fe3O4(001) surface upon hydrogen adsorption
DOI:10.1103/PhysRevB.82.125413 JN:PHYSICAL REVIEW B PY:2010 TC:20 AU: Parkinson, Gareth S.;Mulakaluri, Narasimham;Losovyj, Yaroslav;Jacobson, Peter;Pentcheva, Rossitza;Diebold, Ulrike;
7:11:3:2 Antiphase domain boundaries at the Fe3O4(001) surface
DOI:10.1103/PhysRevB.85.195450 JN:PHYSICAL REVIEW B PY:2012 TC:11 AU: Parkinson, Gareth S.;Manz, Thomas A.;Novotny, Zbynek;Sprunger, Phillip T.;Kurtz, Richard L.;Schmid, Michael;Sholl, David S.;Diebold, Ulrike;
7:11:3:3 Probing the surface phase diagram of Fe3O4(001) towards the Fe-rich limit: Evidence for progressive reduction of the surface
DOI:10.1103/PhysRevB.87.195410 JN:PHYSICAL REVIEW B PY:2013 TC:8 AU: Novotny, Zbynek;Mulakaluri, Narasimham;Edes, Zoltan;Schmid, Michael;Pentcheva, Rossitza;Diebold, Ulrike;Parkinson, Gareth S.;
7:11:3:4 Room Temperature Water Splitting at the Surface of Magnetite
DOI:10.1021/ja203432e JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2011 TC:27 AU: Parkinson, Gareth S.;Novotny, Zbynek;Jacobson, Peter;Schmid, Michael;Diebold, Ulrike;
7:11:3:5 Cluster Nucleation and Growth from a Highly Supersaturated Adatom Phase: Silver on Magnetite
DOI:10.1021/nn502895s JN:ACS NANO PY:2014 TC:3 AU: Bliem, Roland;Kosak, Rukan;Perneczky, Lukas;Novotny, Zbynek;Gamba, Oscar;Fobes, David;Mao, Zhiqiang;Schmid, Michael;Blaha, Peter;Diebold, Ulrike;Parkinson, Gareth S.;
7:11:3:6 Ordered Array of Single Adatoms with Remarkable Thermal Stability: Au/Fe3O4(001)
DOI:10.1103/PhysRevLett.108.216103 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:15 AU: Novotny, Zbynek;Argentero, Giacomo;Wang, Zhiming;Schmid, Michael;Diebold, Ulrike;Parkinson, Gareth S.;
7:11:3:7 Direct observation of a positive spin polarization at the (111) surface of magnetite
DOI:10.1103/PhysRevB.85.180409 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Pratt, A.;Kurahashi, M.;Sun, X.;Gilks, D.;Yamauchi, Y.;
7:11:3:8 Carbon monoxide-induced adatom sintering in a Pd-Fe3O4 model catalyst
DOI:10.1038/NMAT3667 JN:NATURE MATERIALS PY:2013 TC:30 AU: Parkinson, Gareth S.;Novotny, Zbynek;Argentero, Giacomo;Schmid, Michael;Pavelec, Jiri;Kosak, Rukan;Blaha, Peter;Diebold, Ulrike;
7:11:3:9 Insight into Magnetite's Redox Catalysis from Observing Surface Morphology during Oxidation
DOI:10.1021/ja402599t JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2013 TC:8 AU: Nie, Shu;Starodub, Elena;Monti, Matteo;Siegel, David A.;Vergara, Lucia;El Gabaly, Farid;Bartelt, Norman C.;de la Figuera, Juan;McCarty, Kevin F.;
7:11:3:10 Real-space imaging of the Verwey transition at the (100) surface of magnetite
DOI:10.1103/PhysRevB.88.161410 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: de la Figuera, Juan;Novotny, Zbynek;Setvin, Martin;Liu, Tijiang;Mao, Zhiqiang;Chen, Gong;N'Diaye, Alpha T.;Schmid, Michael;Diebold, Ulrike;Schmid, Andreas K.;Parkinson, Gareth S.;
7:11:3:11 Termination and Verwey transition of the (111) surface of magnetite studied by scanning tunneling microscopy and first-principles calculations
DOI:10.1103/PhysRevB.81.235429 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Shimizu, Tomoko K.;Jung, Jaehoon;Kato, Hiroyuki S.;Kim, Yousoo;Kawai, Maki;
7:11:3:12 Recovery of the half-metallicity of an Fe3O4(100) surface by atomic hydrogen adsorption
DOI:10.1103/PhysRevB.81.193402 JN:PHYSICAL REVIEW B PY:2010 TC:16 AU: Kurahashi, M.;Sun, X.;Yamauchi, Y.;
7:11:3:13 Probing the surface phase diagram of Fe3O4(001) towards the Fe-rich limit: Evidence for progressive reduction of the surface (vol 87, 195410, 2013)
DOI:10.1103/PhysRevB.88.039902 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Novotny, Zbynek;Mulakaluri, Narasimham;Edes, Zoltan;Schmid, Michael;Pentcheva, Rossitza;Diebold, Ulrike;Parkinson, Gareth S.;
7:11:3:14 Surface properties of the clean and Au/Pd covered Fe3O4(111): DFT and DFT+U study
DOI:10.1103/PhysRevB.85.125414 JN:PHYSICAL REVIEW B PY:2012 TC:7 AU: Kiejna, Adam;Ossowski, Tomasz;Pabisiak, Tomasz;
7:11:3:15 Atomically resolved nucleation and initial growth of a Ag three-dimensional island on Si(001) substrate
DOI:10.1103/PhysRevB.83.205433 JN:PHYSICAL REVIEW B PY:2011 TC:1 AU: Takeuchi, Osamu;Kageshima, Masami;Sakama, Hiroshi;Kawazu, Akira;
7:11:3:16 Order-disorder phase transition on the (100) surface of magnetite
DOI:10.1103/PhysRevB.88.235436 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;
7:11:3:17 Tuning Ag/Si(100) island size, shape, and density
DOI:10.1063/1.4824744 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Kong, Dexin;Drucker, Jeff;
7:11:4:1 Three dimensional nano-seeding assembly of ferromagnetic Fe/LaSrFeO4 nano-hetero dot array
DOI:10.1063/1.4739719 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:8 AU: Okada, K.;Sakamoto, T.;Fujiwara, K.;Hattori, A. N.;Kanki, T.;Tanaka, H.;
7:11:4:2 Epitaxial inversion on ferromagnetic (Fe,Zn)(3)O-4/ferroelectric BiFeO3 core-shell nanodot arrays using three dimensional nano-seeding assembly
DOI:10.1063/1.4794810 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Sakamoto, Takuya;Okada, Koichi;Hattori, Azusa N.;Kanki, Teruo;Borowiak, Alexis S.;Gautier, Brice;Vilquin, Bertrand;Tanaka, Hidekazu;
7:11:4:3 Direct fabrication of integrated 3D epitaxial functional transition metal oxide nanostructures using extremely small hollow nanopillar nano-imprint metal masks
DOI:10.1088/0957-4484/22/18/185306 JN:NANOTECHNOLOGY PY:2011 TC:10 AU: Cha, Nam-Goo;Kanki, Teruo;Tanaka, Hidekazu;
7:11:4:4 Revealing magnetic domain structure in functional Fe2.5Zn0.5O4 wires by transmission electron microscopy
DOI:10.1016/j.actamat.2013.10.015 JN:ACTA MATERIALIA PY:2014 TC:4 AU: Murakami, Y.;Ohta, A.;Hattori, A. N.;Kanki, T.;Aizawa, S.;Tanigaki, T.;Park, H. S.;Tanaka, H.;Shindo, D.;
7:11:4:5 Position-controlled functional oxide lateral heterostructures consisting of artificially aligned (Fe, Zn)(3)O-4 nanodots and BiFeO3 matrix
DOI:10.1088/0957-4484/23/33/335302 JN:NANOTECHNOLOGY PY:2012 TC:5 AU: Sakamoto, Takuya;Okada, Koichi;Hattori, Azusa N.;Kanki, Teruo;Tanaka, Hidekazu;
7:11:4:6 Giant Magnetoresistance Observed in (Fe,Mn)(3)O-4 Artificial Nanoconstrained Structures at Room Temperature
DOI:10.1021/nl100542a JN:NANO LETTERS PY:2010 TC:10 AU: Goto, Kazuya;Kanki, Teruo;Kawai, Tomoji;Tanaka, Hidekazu;
7:11:4:7 Enhancement of Spin Polarization in a Transition Metal Oxide Ferromagnetic Nanodot Diode
DOI:10.1021/nl102601m JN:NANO LETTERS PY:2011 TC:8 AU: Yamanaka, Satoru;Kanki, Teruo;Kawai, Tomoji;Tanaka, Hidekazu;
7:11:4:8 Preparation of ferroelectric field effect transistor based on sustainable strongly correlated (Fe,Zn)(3)O-4 oxide semiconductor and their electrical transport properties
DOI:10.1063/1.3564885 JN:APPLIED PHYSICS LETTERS PY:2011 TC:6 AU: Takaobushi, Junichi;Kanki, Teruo;Kawai, Tomoji;Tanaka, Hidekazu;
7:11:5:1 Vibrational Spectroscopic Characterization of Hematite, Maghemite, and Magnetite Thin Films Produced by Vapor Deposition
DOI:10.1021/am1004943 JN:ACS APPLIED MATERIALS & INTERFACES PY:2010 TC:108 AU: Jubb, Aaron M.;Allen, Heather C.;
7:11:5:2 Reflectance anisotropy spectroscopy of magnetite (110) surfaces
DOI:10.1103/PhysRevB.89.195118 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Fleischer, K.;Verre, R.;Mauit, O.;Sofin, R. G. S.;Farrell, L.;Byrne, C.;Smith, C. M.;McGilp, J. F.;Shvets, I. V.;
7:11:5:3 Low temperature oxidation mechanisms of nanocrystalline magnetite thin film
DOI:10.1063/1.4772714 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:10 AU: Bourgeois, F.;Gergaud, P.;Renevier, H.;Leclere, C.;Feuillet, G.;
7:11:5:4 Increasing the Efficiency of Single Walled Carbon Nanotube Amplification by Fe-Co Catalysts Through the Optimization of CH4/H-2 Partial Pressures
DOI:10.1021/nl201315j JN:NANO LETTERS PY:2011 TC:11 AU: Orbaek, Alvin W.;Owens, Andrew C.;Barron, Andrew R.;
7:11:5:5 Stability and capping of magnetite ultra-thin films
DOI:10.1063/1.4876059 JN:APPLIED PHYSICS LETTERS PY:2014 TC:2 AU: Fleischer, K.;Mauit, O.;Shvets, I. V.;
7:11:5:6 The development of a 'process map' for the growth of carbon nanomaterials from ferrocene by injection CVD
DOI:10.1039/c3ta13543h JN:JOURNAL OF MATERIALS CHEMISTRY A PY:2013 TC:2 AU: Orbaek, Alvin W.;Aggarwal, Neerja;Barron, Andrew R.;
7:11:5:7 Organics Exposure in Orbit (OREOcube): A Next-Generation Space Exposure Platform
DOI:10.1021/la501203g JN:LANGMUIR PY:2014 TC:0 AU: Elsaesser, Andreas;Quinn, Richard C.;Ehrenfreund, Pascale;Mattioda, Andrew L.;Ricco, Antonio J.;Alonzo, Jason;Breitenbach, Alex;Chan, Yee Kim;Fresneau, Aurelien;Salama, Farid;Santos, Orlando;
7:11:6:1 Supercritical fluid technology: A reliable process for high quality BaTiO3 based nanomaterials
DOI:10.1016/j.apt.2014.02.016 JN:ADVANCED POWDER TECHNOLOGY PY:2014 TC:4 AU: Philippot, Gilles;Elissalde, Catherine;Maglione, Mario;Aymonier, Cyril;
7:11:6:2 Continuous supercritical hydrothermal synthesis of iron oxide nanoparticle dispersions and their characterization
DOI:10.1007/s11051-014-2350-1 JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2014 TC:0 AU: de Tercero, M. Daschner;Roeder, C.;Fehrenbacher, U.;Teipel, U.;Tuerk, M.;
7:11:6:3 Hydrothermal synthesis of organic hybrid BaTiO3 nanoparticles using a supercritical continuous flow reaction system
DOI:10.1016/j.jcrysgro.2010.09.042 JN:JOURNAL OF CRYSTAL GROWTH PY:2010 TC:11 AU: Hayashi, Hiromichi;Noguchi, Takio;Islam, Nazrul M.;Hakuta, Yukiya;Imai, Yusuke;Ueno, Nobuhiko;
7:11:6:4 Hydrothermal synthesis of BaTiO3 nanoparticles using a supercritical continuous flow reaction system
DOI:10.1016/j.jcrysgro.2010.03.034 JN:JOURNAL OF CRYSTAL GROWTH PY:2010 TC:13 AU: Hayashi, Hiromichi;Noguchi, Takio;Islam, Nazrul M.;Hakuta, Yukiya;Imai, Yusuke;Ueno, Nobuhiko;
7:11:6:5 Continuous supercritical synthesis of high quality UV-emitting ZnO nanocrystals for optochemical applications
DOI:10.1039/c3tc30737a JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2013 TC:7 AU: Ilin, Evgeniy S.;Marre, Samuel;Jubera, Veronique;Aymonier, Cyril;
7:11:6:6 High- Rate Continuous Synthesis of Nanocrystalline Perovskites and Metal Oxides in a Colliding Vapor Stream of Microdroplets
DOI:10.1002/adfm.201301916 JN:ADVANCED FUNCTIONAL MATERIALS PY:2014 TC:0 AU: Ould-Ely, Teyeb;Kaplan-Reinig, Lyle;Morse, Daniel E.;
7:11:6:7 Crystal growth and magnetic properties of the double perovskites R2MnNiO6 (R=Pr, Sm and Ho) by a hydrothermal route
DOI:10.1016/j.jcrysgro.2011.06.002 JN:JOURNAL OF CRYSTAL GROWTH PY:2011 TC:2 AU: Zhang, Ganghua;Li, Guobao;Liao, Fuhui;Fu, Yin;Xiong, Ming;Lin, Jianhua;
7:11:6:8 Atomistic Field Theory of Nano Energy Harvesting
DOI:10.1166/jctn.2011.1744 JN:JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE PY:2011 TC:2 AU: Chen, James;
7:11:7:1 Exchange bias effects in epitaxial Fe3O4/BiFeO3 heterostructures
DOI:10.1063/1.4729408 JN:APPLIED PHYSICS LETTERS PY:2012 TC:19 AU: Qu, T. L.;Zhao, Y. G.;Yu, P.;Zhao, H. C.;Zhang, S.;Yang, L. F.;
7:11:7:2 Electronic and magnetic structure at the Fe/Fe3O4 interface
DOI:10.1103/PhysRevB.84.104407 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Kida, T.;Honda, S.;Itoh, H.;Inoue, J.;Yanagihara, H.;Kita, E.;Mibu, K.;
7:11:7:3 Coexistence of strong ferromagnetism and polar switching at room temperature in Fe3O4-BiFeO3 nanocomposite thin films
DOI:10.1063/1.3500826 JN:APPLIED PHYSICS LETTERS PY:2010 TC:11 AU: Weal, E.;Patnaik, S.;Bi, Z.;Wang, H.;Fix, T.;Kursumovic, A.;Driscoll, J. L. MacManus;
7:11:7:4 Electronic and magnetic structure of Fe3O4/BiFeO3 multiferroic superlattices: First principles calculations
DOI:10.1063/1.4755805 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:6 AU: Yang, H.;Jin, C.;Mi, W. B.;Bai, H. L.;Chen, G. F.;
7:11:7:5 Generation of BiFeO3-Fe3O4 Janus particles based on droplet microfluidic method
DOI:10.1063/1.4891955 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Li, Shasha;Yu, Xiaolei;You, Sujian;Cai, Bo;Liu, Chang;Liu, Huiqin;Liu, Wei;Guo, Shi-Shang;Zhao, Xing-Zhong;
7:11:7:6 Magnetic and electronic properties of Fe3O4/graphene heterostructures: First principles perspective
DOI:10.1063/1.4793590 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Mi, Wenbo;Yang, Hua;Cheng, Yingchun;Chen, Guifeng;Bai, Haili;
7:11:7:7 Transport and magnetic properties of Bi2Fe4O9-Fe3O4 nanocomposite films grown on LaAlO3 (100) substrates by molecular beam epitaxy
DOI:10.1016/j.matlet.2013.03.008 JN:MATERIALS LETTERS PY:2013 TC:1 AU: Tuan Anh Duong;Tran Viet Cuong;Shin, Yooleemi;Cho, Sunglae;
7:11:8:1 Pyroelectric detection of spontaneous polarization in magnetite thin films
DOI:10.1103/PhysRevB.86.144105 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Takahashi, R.;Misumi, H.;Lippmaa, M.;
7:11:8:2 Tuning of multiferroic orders correlated to oxygen stoichiometry in magnetite films
DOI:10.1063/1.4897629 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Dey, K.;Ghosh, A.;Modak, P.;Indra, A.;Majumdar, S.;Giri, S.;
7:11:8:3 Relaxor ferroelectricity and the freezing of short-range polar order in magnetite
DOI:10.1103/PhysRevB.83.195109 JN:PHYSICAL REVIEW B PY:2011 TC:15 AU: Schrettle, F.;Krohns, S.;Lunkenheimer, P.;Brabers, V. A. M.;Loidl, A.;
7:11:8:4 Sub-bandgap photocurrent effects on dynamic pyroelectric measurement in Pt/PbTiO3/Nb:SrTiO3 heterostructures
DOI:10.1063/1.4736262 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:5 AU: Takahashi, R.;Tybell, T.;Lippmaa, M.;
7:11:9:1 Terahertz spectroscopy of low-energy excitations in charge-ordered La0.25Ca0.75MnO3
DOI:10.1103/PhysRevB.81.125132 JN:PHYSICAL REVIEW B PY:2010 TC:10 AU: Zhang, T.;Zhukova, E.;Gorshunov, B.;Wu, D.;Prokhorov, A. S.;Torgashev, V. I.;Maksimov, E. G.;Dressel, M.;
7:11:9:2 Optical investigation of the collective dynamics of charge-orbital density waves in layered manganites
DOI:10.1103/PhysRevB.82.140409 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Fujioka, J.;Ida, Y.;Takahashi, Y.;Kida, N.;Shimano, R.;Tokura, Y.;
7:11:9:3 Boson peak in overdoped manganites La1-xCaxMnO3
DOI:10.1103/PhysRevB.87.245124 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Gorshunov, B.;Zhukova, E.;Torgashev, V. I.;Kadyrov, L. S.;Motovilova, E. A.;Fischgrabe, F.;Moshnyaga, V.;Zhang, T.;Kremer, R.;Pracht, U.;Zapf, S.;Dressel, M.;
7:11:9:4 Charge density waves condensate as measure of charge order and disorder in Eu1-xSrxMnO3 (x=0.50, 0.58) manganites
DOI:10.1063/1.3680094 JN:APPLIED PHYSICS LETTERS PY:2012 TC:4 AU: Pandey, Parul;Awari, Nilesh;Rana, Rakesh;Singh, Abhishek;Prabhu, S. S.;Rana, D. S.;
7:11:9:5 Anisotropy-induced crossover from Drude conductivity to charge-density-wave excitations in a stripe-type charge-ordered manganite
DOI:10.1103/PhysRevB.87.224421 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Rana, Rakesh;Pandey, Parul;Rana, D. S.;Mavani, K. R.;Kawayama, I.;Murakami, H.;Tonouchi, M.;
7:11:9:6 Charge density wave excitations in stripe-type charge ordered Pr0.5Sr0.5MnO3 manganite
DOI:10.1063/1.4772474 JN:APPLIED PHYSICS LETTERS PY:2012 TC:0 AU: Rana, Rakesh;Rana, D. S.;Mavani, K. R.;Kawayama, I.;Murakami, H.;Tonouchi, M.;
7:11:9:7 Conductance fluctuations in metal-nanoparticle-metal junctions
DOI:10.1103/PhysRevB.82.155437 JN:PHYSICAL REVIEW B PY:2010 TC:3 AU: Govor, L. V.;Bauer, G. H.;Reiter, G.;Parisi, J.;
7:11:10:1 Tailoring interlayer exchange coupling of ferromagnetic films across MgO with Fe nanoclusters
DOI:10.1103/PhysRevB.81.094406 JN:PHYSICAL REVIEW B PY:2010 TC:11 AU: Wong, Jared J. I.;Ramirez, Luciana;Swartz, A. G.;Hoff, A.;Han, Wei;Li, Yan;Kawakami, R. K.;
7:11:10:2 Spatial Fluctuations of Loose Spin Coupling in CuMn/Co Multilayers
DOI:10.1103/PhysRevLett.107.127201 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:7 AU: Saerbeck, T.;Loh, N.;Lott, D.;Toperverg, B. P.;Mulders, A. M.;Fraile Rodriguez, A.;Freeland, J. W.;Ali, M.;Hickey, B. J.;Stampfl, A. P. J.;Klose, F.;Stamps, R. L.;
7:11:10:3 Electric field control of the Verwey transition and induced magnetoelectric effect in magnetite
DOI:10.1103/PhysRevB.86.060409 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Wong, Jared J. I.;Swartz, Adrian G.;Zheng, Renjing;Han, Wei;Kawakami, Roland K.;
7:11:10:4 Oscillatory Spin Polarization and Magneto-Optical Kerr Effect in Fe3O4 Thin Films on GaAs(001)
DOI:10.1103/PhysRevLett.105.167203 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:5 AU: Li, Yan;Han, Wei;Swartz, A. G.;Pi, K.;Wong, J. J. I.;Mack, S.;Awschalom, D. D.;Kawakami, R. K.;
7:11:10:5 Specular and off-specular polarized neutron reflectometry of canted magnetic domains in loose spin coupled CuMn/Co multilayers
DOI:10.1103/PhysRevB.85.014411 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Saerbeck, T.;Loh, N.;Lott, D.;Toperverg, B. P.;Mulders, A. M.;Ali, M.;Hickey, B. J.;Stampfl, A. P. J.;Klose, F.;Stamps, R. L.;
7:11:11:1 Chemical ordering dependence of interlayer exchange coupling in Co-Mn-Si/Cr/Co-Mn-Si trilayer structures
DOI:10.1103/PhysRevB.81.054426 JN:PHYSICAL REVIEW B PY:2010 TC:12 AU: Bosu, S.;Sakuraba, Y.;Saito, K.;Wang, H.;Mitani, S.;Takanashi, K.;
7:11:11:2 Ab initio study of magnetic structure and exchange coupling in Co2MnSi/Cr/Co2MnSi trilayers
DOI:10.1103/PhysRevB.82.014413 JN:PHYSICAL REVIEW B PY:2010 TC:5 AU: Kakeno, W.;Honda, S.;Itoh, H.;Inoue, J.;
7:11:11:3 Spacer layer thickness dependence of exchange coupling in Co-enriched Co-Mn-Si/Cr/Co-Mn-Si epitaxial trilayers
DOI:10.1063/1.3663362 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Bosu, S.;Sakuraba, Y.;Saito, K.;Wang, H.;Takanashi, K.;
7:11:11:4 Effect of chemical ordering on 90 degrees interlayer coupling in epitaxial Co-Fe/Cr/Co-Fe thin films
DOI:10.1016/j.jmmm.2014.06.044 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:0 AU: Bosu, S.;Sakuraba, Y.;Saito, K.;Izumi, K.;Koganezawa, T.;Takanashi, K.;
7:11:11:5 Structure determination of thin CoFe films by anomalous x-ray diffraction
DOI:10.1063/1.4755801 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Gloskovskii, Andrei;Stryganyuk, Gregory;Ouardi, Siham;Fecher, Gerhard H.;Felser, Claudia;Hamrle, Jaroslav;Pistora, Jaromir;Bosu, Subrojati;Saito, Kesami;Sakuraba, Yuya;Takanashi, Koki;
7:11:11:6 Effects of magnetic seed-layers on the structural and magnetic properties of Co2MnSi Heusler alloy
DOI:10.1016/j.matchemphys.2012.07.029 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:0 AU: Bae, Taejin;Lee, Sangho;Hong, Jongill;Lee, Dong Ryeol;Roh, Jaesung;
7:11:12:1 Synthesis of multiferroic Er-Fe-O thin films by atomic layer and chemical vapor deposition
DOI:10.1063/1.4865774 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Mantovan, R.;Vangelista, S.;Wiemer, C.;Lamperti, A.;Tallarida, G.;Chikoidze, E.;Dumont, Y.;Fanciulli, M.;
7:11:12:2 Synthesis of magnetic tunnel junctions with full in situ atomic layer and chemical vapor deposition processes
DOI:10.1016/j.tsf.2011.08.037 JN:THIN SOLID FILMS PY:2012 TC:9 AU: Mantovan, R.;Vangelista, S.;Kutrzeba-Kotowska, B.;Cocco, S.;Lamperti, A.;Tallarida, G.;Mameli, D.;Fanciulli, M.;
7:11:12:3 Chemical vapor deposition growth of Fe3O4 thin films and Fe/Fe3O4 bi-layers for their integration in magnetic tunnel junctions
DOI:10.1016/j.tsf.2011.10.128 JN:THIN SOLID FILMS PY:2012 TC:10 AU: Vangelista, S.;Mantovan, R.;Cocco, S.;Lamperti, A.;Salicio, O.;Fanciulli, M.;
7:11:12:4 Magnetic and magnetodielectric properties of erbium iron garnet ceramic
DOI:10.1063/1.4776716 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Maignan, A.;Singh, K.;Simon, Ch;Lebedev, O. I.;Martin, C.;Tan, H.;Verbeeck, J.;Van Tendeloo, G.;
7:11:12:5 Investigation of atomic layer deposition of magnesium oxide on a CoFeB layer for three-dimensional magnetic tunneling junctions
DOI:10.1016/j.jallcom.2013.11.227 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:0 AU: Song, Jeong-Gyu;Park, Jusang;Yoon, Jaehong;Kim, Keewon;Jang, Youngman;Kim, Kwangseok;Kim, Hyungjun;
7:11:12:6 Chemical vapor deposition of polycrystalline Fe3O4 thin films by using the cyclohexadiene iron tricarbonyl liquid precursor
DOI:10.1063/1.3683082 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Mantovan, R.;Vangelista, S.;Cocco, S.;Lamperti, A.;Salicio, O.;
7:11:12:7 Origin of enhanced magnetization in rare earth doped multiferroic bismuth ferrite
DOI:10.1063/1.4865958 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:4 AU: Nayek, C.;Tamilselvan, A.;Thirmal, Ch;Murugavel, P.;Balakumar, S.;
7:11:13:1 Anomalous magnetic properties of the epitaxial CoFe2O4 films prepared by reactive cosputtering
DOI:10.1063/1.3608041 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:8 AU: Jin, C.;Liu, H.;Li, P.;Kuang, D. F.;Bai, H. L.;
7:11:13:2 Electronic structure near an antiphase boundary in magnetite
DOI:10.1103/PhysRevB.81.104422 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Arras, R.;Calmels, L.;Warot-Fonrose, B.;
7:11:13:3 Experimental and first-principles study on the magnetic and transport properties of Ti-doped Fe3O4 epitaxial films
DOI:10.1063/1.3650252 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Jin, C.;Mi, W. B.;Li, P.;Bai, H. L.;
7:11:13:4 On the optical properties and low pressure-induced spin transition in magnetite from ab initio calculations
DOI:10.1016/j.jmmm.2012.12.026 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:2 AU: Siberchicot, Bruno;
7:11:13:5 Investigation of the interfacial structure and transport properties of Fe3O4-SrTiO3 composite films
DOI:10.1016/j.apsusc.2013.09.068 JN:APPLIED SURFACE SCIENCE PY:2013 TC:0 AU: Jin, C.;Zheng, D. X.;Li, P.;Mi, W. B.;Bai, H. L.;
7:11:14:1 Position-, size-, and shape-controlled highly crystalline ZnO nanostructures
DOI:10.1088/0957-4484/22/41/415301 JN:NANOTECHNOLOGY PY:2011 TC:14 AU: Hattori, Azusa N.;Ono, Atsushi;Tanaka, Hidekazu;
7:11:14:2 Controlled fabrication of artificial ferromagnetic (Fe, Mn)(3)O-4 nanowall-wires by a three-dimensional nanotemplate pulsed laser deposition method
DOI:10.1088/0957-4484/23/48/485308 JN:NANOTECHNOLOGY PY:2012 TC:6 AU: Kushizaki, Takayoshi;Fujiwara, Kohei;Hattori, Azusa N.;Kanki, Teruo;Tanaka, Hidekazu;
7:11:14:3 Colossal magnetoresistive (La,Pr,Ca)MnO3 nanobox array structures constructed by the three-dimensional nanotemplate pulsed laser deposition technique
DOI:10.1063/1.4834876 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Nguyen, T. V. A.;Hattori, A. N.;Fujiwara, Y.;Ueda, S.;Tanaka, H.;
7:11:14:4 Identification of Giant Mott Phase Transition of Single Electric Nanodomain in Manganite Nanowall Wire
DOI:10.1021/acs.nanolett.5b00264 JN:NANO LETTERS PY:2015 TC:1 AU: Hattori, Azusa N.;Fujiwara, Yasushi;Fujiwara, Kohei;Thi Van Anh Nguyen;Nakamura, Takuro;Ichimiya, Masayoshi;Ashida, Masaaki;Tanaka, Hidekazu;
7:11:14:5 Estimation of dc transport dynamics in strongly correlated (La,Pr,Ca)MnO3 film using an insulator-metal composite model for terahertz conductivity
DOI:10.1063/1.4890109 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Nguyen, T. V. A.;Hattori, A. N.;Nagai, M.;Nakamura, T.;Fujiwara, K.;Ashida, M.;Tanaka, H.;
7:11:15:1 Magnetism in nanometer-thick magnetite
DOI:10.1103/PhysRevB.85.020404 JN:PHYSICAL REVIEW B PY:2012 TC:19 AU: Monti, Matteo;Santos, Benito;Mascaraque, Arantzazu;Rodriguez de la Fuente, Oscar;Angel Nino, Miguel;Mentes, Tevfik Onur;Locatelli, Andrea;McCarty, Kevin F.;Marco, Jose F.;de la Figuera, Juan;
7:11:15:2 Defects and inhomogeneities in Fe3O4(111) thin film growth on Pt(111)
DOI:10.1103/PhysRevB.86.155430 JN:PHYSICAL REVIEW B PY:2012 TC:9 AU: Sala, A.;Marchetto, H.;Qin, Z. -H.;Shaikhutdinov, S.;Schmidt, Th;Freund, H. -J.;
7:11:15:3 Magnetic and magnetotransport properties of ZnxFe3-xO4-y thin films
DOI:10.1063/1.4903211 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Jedrecy, N.;Hebert, C.;Perriere, J.;Nistor, M.;Millon, E.;
7:11:15:4 Vibrational spectra of CO adsorbed on oxide thin films: A tool to probe the surface defects and phase changes of oxide thin films
DOI:10.1116/1.4858619 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A PY:2014 TC:0 AU: Savara, Aditya;
7:11:15:5 Ferrimagnetism in a ultra-thin decorated Ising film
DOI:10.1016/j.jmmm.2013.02.008 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:7 AU: Kaneyoshi, T.;
7:11:16:1 Absence of abrupt pressure-induced magnetic transitions in magnetite
DOI:10.1103/PhysRevB.82.140412 JN:PHYSICAL REVIEW B PY:2010 TC:13 AU: Baudelet, Francois;Pascarelli, Sakura;Mathon, Olivier;Itie, Jean-Paul;Polian, Alain;Chervin, Jean-Claude;
7:11:16:2 Spin state of iron in Fe3O4 magnetite and h-Fe3O4
DOI:10.1103/PhysRevB.87.155141 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Bengtson, Amelia;Morgan, Dane;Becker, Udo;
7:11:16:3 Pressure dependence of the Verwey transition in magnetite: An infrared spectroscopic point of view
DOI:10.1063/1.4758303 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Ebad-Allah, J.;Baldassarre, L.;Sing, M.;Claessen, R.;Brabers, V. A. M.;Kuntscher, C. A.;
7:11:16:4 Stability of the ferromagnetic ground state of La2MnNiO6 against large compressive stress
DOI:10.1103/PhysRevB.84.100403 JN:PHYSICAL REVIEW B PY:2011 TC:2 AU: Haskel, D.;Fabbris, G.;Souza-Neto, N. M.;van Veenendaal, M.;Shen, G.;Smith, A. E.;Subramanian, M. A.;
7:11:16:5 Pressure-induced magnetoresistivity reversal in magnetite
DOI:10.1063/1.3663217 JN:APPLIED PHYSICS LETTERS PY:2011 TC:1 AU: Su, Ningning;Han, Yonghao;Ma, Yanzhang;Liu, Hongwu;Ma, Boheng;Gao, Chunxiao;
7:11:17:1 Half-metallicity, magnetic moments, and gap states in oxygen-deficient magnetite for spintronic applications
DOI:10.1063/1.3678028 JN:APPLIED PHYSICS LETTERS PY:2012 TC:6 AU: Arras, R.;Calmels, L.;Warot-Fonrose, B.;
7:11:17:2 Effects of impurity states on exchange coupling in Fe/Fe3O4 junctions
DOI:10.1103/PhysRevB.85.184431 JN:PHYSICAL REVIEW B PY:2012 TC:0 AU: Inoue, J.;Honda, S.;Itoh, H.;Mibu, K.;Yanagihara, H.;Kita, E.;
7:11:17:3 Numerical simulation of random magnetic anisotropy with solid magnetization grains
DOI:10.1016/j.jmmm.2010.08.015 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:7 AU: Lee, S. -J.;Sato, S.;Yanagihara, H.;Kita, E.;Mitsumata, C.;
7:11:17:4 Electronic structure and hyperfine fields in non-stoichiometric magnetite above the Verwey transition
DOI:10.1016/j.jmmm.2009.03.026 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:4 AU: Chlan, Vojtech;Novak, Pavel;Stepankova, Helena;Reznicek, Richard;Kouril, Karel;Kozlowski, Andrzej;
7:11:17:5 Random magnetic anisotropy in isotropic nanocrystalline composite permanent magnets
DOI:10.1063/1.3573483 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Sato, Suguru;Lee, S. J.;Mitsumata, Chiharu;Yanagihara, Hideto;Kita, Eiji;
7:11:18:1 Interplay of bulk and interface effects in the electric-field-driven transition in magnetite
DOI:10.1103/PhysRevB.81.045123 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Fursina, A. A.;Sofin, R. G. S.;Shvets, I. V.;Natelson, D.;
7:11:18:2 Verwey transition in single magnetite nanoparticles
DOI:10.1103/PhysRevB.90.075122 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Yu, Q.;Mottaghizadeh, A.;Wang, H.;Ulysse, C.;Zimmers, A.;Rebuttini, V.;Pinna, N.;Aubin, H.;
7:11:18:3 Metal Oxide Resistive Switching: Evolution of the Density of States Across the Metal-Insulator Transition
DOI:10.1103/PhysRevLett.112.066803 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:1 AU: Mottaghizadeh, A.;Yu, Q.;Lang, P. L.;Zimmers, A.;Aubin, H.;
7:11:18:4 Interfacial transport properties between a strongly correlated transition metal oxide and a metal: Contact resistance in Fe3O4/M (M=Cu, Au, Pt) nanostructures
DOI:10.1103/PhysRevB.82.245112 JN:PHYSICAL REVIEW B PY:2010 TC:3 AU: Fursina, A. A.;Sofin, R. G. S.;Shvets, I. V.;Natelson, D.;
7:11:19:1 Impact of interfacial roughness on spin filter tunneling
DOI:10.1063/1.3291065 JN:APPLIED PHYSICS LETTERS PY:2010 TC:8 AU: Miller, Casey W.;Belyea, Dustin D.;
7:11:19:2 Depth-selective electronic and magnetic properties of a Co2MnSi tunnel magneto-resistance electrode at a MgO tunnel barrier
DOI:10.1063/1.4769180 JN:APPLIED PHYSICS LETTERS PY:2012 TC:1 AU: Krumme, B.;Ebke, D.;Weis, C.;Makarov, S. I.;Warland, A.;Huetten, A.;Wende, H.;
7:11:19:3 Utility of reactively sputtered CuNx films in spintronics devices
DOI:10.1063/1.3703067 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Fang, Yeyu;Persson, J.;Zha, C.;Willman, J.;Miller, Casey W.;Akerman, Johan;
7:11:19:4 Spin switch based on double spin-filter tunnel junction geometry
DOI:10.1063/1.3500468 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:2 AU: Miao, G. X.;Moodera, J. S.;
7:11:20:1 Sliding charge density waves in manganites?
DOI:10.1016/j.jmmm.2009.03.003 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:10 AU: Fisher, B.;Genossar, J.;Patlagan, L.;Reisner, G. M.;
7:11:20:2 Metal-insulator transition and nonlinear conductivity in Mn-deficient (LaCa)MnO3
DOI:10.1063/1.3677999 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Fisher, B.;Genossar, J.;Patlagan, L.;Reisner, G. M.;
7:11:20:3 Charge growth, dispersion in europium manganite (EuMnO3-delta) ceramics revealed using opto-impedance probe
DOI:10.1016/j.jallcom.2011.02.081 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:1 AU: Radhakrishnan, S.;Jagannathan, R.;
7:11:20:4 Sliding charge-density waves in manganites
DOI:10.1038/nmat2841 JN:NATURE MATERIALS PY:2010 TC:3 AU: Fisher, B.;Genossar, J.;Patlagan, L.;Kar-Narayan, S.;Moya, X.;Loudon, J. C.;Mathur, N. D.;
7:11:21:1 Magnetic tunnel junctions with Al2O3 tunnel barriers prepared by atomic layer deposition
DOI:10.1063/1.4807132 JN:APPLIED PHYSICS LETTERS PY:2013 TC:5 AU: Liu, Xinfei;Shi, Jing;
7:11:21:2 Temperature and bias-voltage dependence of atomic-layer-deposited HfO2-based magnetic tunnel junctions
DOI:10.1063/1.4896994 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Fabretti, Savio;Zierold, Robert;Nielsch, Kornelius;Voigt, Carmen;Ronning, Carsten;Peretzki, Patrick;Seibt, Michael;Thomas, Andy;
7:11:21:3 Tunnel magnetoresistance in alumina, magnesia and composite tunnel barrier magnetic tunnel junctions
DOI:10.1016/j.jmmm.2011.01.011 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:3 AU: Schebaum, Oliver;Drewello, Volker;Auge, Alexander;Reiss, Guenter;Muenzenberg, Markus;Schuhmann, Henning;Seibt, Michael;Thomas, Andy;
7:11:22:1 Magnetite/hematite core/shell fibres grown by laser floating zone method
DOI:10.1016/j.apsusc.2013.01.108 JN:APPLIED SURFACE SCIENCE PY:2013 TC:0 AU: Ferreira, N. M.;Kovalevsky, A.;Valente, M. A.;Costa, F. M.;Frade, J.;
7:11:22:2 Growth and characterization of Fe3O4 films
DOI:10.1016/j.materresbull.2011.09.008 JN:MATERIALS RESEARCH BULLETIN PY:2011 TC:1 AU: Ding, Jian;Zhang, Di;Arita, Makoto;Ikoma, Yoshifumi;Nakamura, Kazuki;Saito, Katsuhiko;Guo, Qixin;
7:11:22:3 Lithium niobate bulk crystallization promoted by CO2 laser radiation
DOI:10.1016/j.apsusc.2011.08.050 JN:APPLIED SURFACE SCIENCE PY:2012 TC:2 AU: Ferreira, N. M.;Costa, F. M.;Nogueira, R. N.;Graca, M. P. F.;
7:12:1:1 Scattering of electron vortex beams on a magnetic crystal: Towards atomic-resolution magnetic measurements
DOI:10.1103/PhysRevB.89.134428 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Rusz, Jan;Bhowmick, Somnath;Eriksson, Mattias;Karlsson, Nikolaj;
7:12:1:2 Atomic scale electron vortices for nanoresearch
DOI:10.1063/1.3662012 JN:APPLIED PHYSICS LETTERS PY:2011 TC:41 AU: Verbeeck, J.;Schattschneider, P.;Lazar, S.;Stoeger-Pollach, M.;Loeffler, S.;Steiger-Thirsfeld, A.;Van Tendeloo, G.;
7:12:1:3 Boundaries for Efficient Use of Electron Vortex Beams to Measure Magnetic Properties
DOI:10.1103/PhysRevLett.111.105504 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:6 AU: Rusz, Jan;Bhowmick, Somnath;
7:12:1:4 Novel Vortex Generator and Mode Converter for Electron Beams
DOI:10.1103/PhysRevLett.109.084801 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:21 AU: Schattschneider, P.;Stoeger-Pollach, M.;Verbeeck, J.;
7:12:1:5 Mapping spin-polarized transitions with atomic resolution
DOI:10.1103/PhysRevB.85.134422 JN:PHYSICAL REVIEW B PY:2012 TC:13 AU: Schattschneider, P.;Schaffer, B.;Ennen, I.;Verbeeck, J.;
7:12:1:6 Achieving Atomic Resolution Magnetic Dichroism by Controlling the Phase Symmetry of an Electron Probe
DOI:10.1103/PhysRevLett.113.145501 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Rusz, Jan;Idrobo, Juan-Carlos;Bhowmick, Somnath;
7:12:1:7 Exploiting Lens Aberrations to Create Electron-Vortex Beams
DOI:10.1103/PhysRevLett.111.064801 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:18 AU: Clark, L.;Beche, A.;Guzzinati, G.;Lubk, A.;Mazilu, M.;Van Boxem, R.;Verbeeck, J.;
7:12:1:8 Relativistic Electron Vortex Beams: Angular Momentum and Spin-Orbit Interaction
DOI:10.1103/PhysRevLett.107.174802 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:43 AU: Bliokh, Konstantin Y.;Dennis, Mark R.;Nori, Franco;
7:12:1:9 Quantized Orbital Angular Momentum Transfer and Magnetic Dichroism in the Interaction of Electron Vortices with Matter
DOI:10.1103/PhysRevLett.108.074802 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:27 AU: Lloyd, Sophia;Babiker, Mohamed;Yuan, Jun;
7:12:1:10 Direct measurement of ferromagnetic ordering in biaxially strained LaCoO3 thin films
DOI:10.1063/1.3336010 JN:APPLIED PHYSICS LETTERS PY:2010 TC:12 AU: Klie, R. F.;Yuan, T.;Tanase, M.;Yang, G.;Ramasse, Q.;
7:12:1:11 Highly efficient electron vortex beams generated by nanofabricated phase holograms
DOI:10.1063/1.4863564 JN:APPLIED PHYSICS LETTERS PY:2014 TC:6 AU: Grillo, Vincenzo;Gazzadi, Gian Carlo;Karimi, Ebrahim;Mafakheri, Erfan;Boyd, Robert W.;Frabboni, Stefano;
7:12:1:12 Electron magnetic chiral dichroism in CrO2 thin films using monochromatic probe illumination in a transmission electron microscope
DOI:10.1016/j.jmmm.2012.06.012 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:7 AU: Loukya, B.;Zhang, X.;Gupta, A.;Datta, R.;
7:12:1:13 Spin-to-Orbital Angular Momentum Conversion and Spin-Polarization Filtering in Electron Beams
DOI:10.1103/PhysRevLett.108.044801 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:29 AU: Karimi, Ebrahim;Marrucci, Lorenzo;Grillo, Vincenzo;Santamato, Enrico;
7:12:1:14 Observation of the Larmor and Gouy Rotations with Electron Vortex Beams
DOI:10.1103/PhysRevLett.110.093601 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:16 AU: Guzzinati, Giulio;Schattschneider, Peter;Bliokh, Konstantin Y.;Nori, Franco;Verbeeck, Jo;
7:12:1:15 Interaction of Relativistic Electron-Vortex Beams with Few-Cycle Laser Pulses
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7:12:1:16 Dichroism in the Interaction between Vortex Electron Beams, Plasmons, and Molecules
DOI:10.1103/PhysRevLett.113.066102 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Asenjo-Garcia, A.;Garcia de Abajo, F. J.;
7:12:1:17 How to Manipulate Nanoparticles with an Electron Beam?
DOI:10.1002/adma.201204206 JN:ADVANCED MATERIALS PY:2013 TC:19 AU: Verbeeck, Jo;Tian, He;Van Tendeloo, Gustaaf;
7:12:1:18 Real-space simulations of spin-polarized electronic transitions in iron
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7:12:1:19 Measuring the Orbital Angular Momentum of Electron Vortex Beams Using a Forked Grating
DOI:10.1103/PhysRevLett.111.074801 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:8 AU: Saitoh, Koh;Hasegawa, Yuya;Hirakawa, Kazuma;Tanaka, Nobuo;Uchida, Masaya;
7:12:1:20 Electromagnetic Vortex Fields, Spin, and Spin-Orbit Interactions in Electron Vortices
DOI:10.1103/PhysRevLett.109.254801 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:5 AU: Lloyd, S. M.;Babiker, M.;Yuan, J.;Kerr-Edwards, C.;
7:12:1:21 Simulation of Spatially Resolved Electron Energy Loss Near-Edge Structure for Scanning Transmission Electron Microscopy
DOI:10.1103/PhysRevLett.109.246101 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:3 AU: Prange, M. P.;Oxley, M. P.;Varela, M.;Pennycook, S. J.;Pantelides, S. T.;
7:12:1:22 Origination of electron magnetic chiral dichroism in cobalt-doped ZnO dilute magnetic semiconductors
DOI:10.1016/j.scriptamat.2011.05.013 JN:SCRIPTA MATERIALIA PY:2011 TC:5 AU: Zhang, Z. H.;Tao, H. L.;He, Ming;Li, Quan;
7:12:1:23 Local electronic structure information contained in energy-filtered diffraction patterns
DOI:10.1103/PhysRevB.84.064444 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Rusz, Jan;Rubino, Stefano;Eriksson, Olle;Oppeneer, Peter M.;Leifer, Klaus;
7:12:1:24 Detecting Transition Radiation from a Magnetic Moment
DOI:10.1103/PhysRevLett.110.264801 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:3 AU: Ivanov, Igor P.;Karlovets, Dmitry V.;
7:12:1:25 Comment on "Quantized Orbital Angular Momentum Transfer and Magnetic Dichroism in the Interaction of Electron Vortices with Matter"
DOI:10.1103/PhysRevLett.110.189501 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:3 AU: Schattschneider, P.;Loeffler, S.;Verbeeck, J.;
7:12:1:26 Quantitative magnetic measurements with transmission electron microscope
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7:12:1:27 Comment on "Quantized Orbital Angular Momentum Transfer and Magnetic Dichroism in the Interaction of Electron Vortices with Matter" Reply
DOI:10.1103/PhysRevLett.110.189502 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:2 AU: Lloyd, Sophia;Babiker, Mohamed;Yuan, Jun;
7:12:1:28 Observation of the hole state symmetry of MgB2 by inelastic scattering of fast electrons accompanied by boron K-shell excitation
DOI:10.1063/1.4768728 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Saitoh, Koh;Momonoi, Kota;Tanaka, Nobuo;Onari, Seiichiro;
7:12:1:29 Site-Specific Recoil Diffraction of Backscattered Electrons in Crystals
DOI:10.1103/PhysRevLett.106.085503 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:6 AU: Winkelmann, Aimo;Vos, Maarten;
7:12:1:30 Generation of High-Energy Photons with Large Orbital Angular Momentum by Compton Backscattering
DOI:10.1103/PhysRevLett.106.013001 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:19 AU: Jentschura, U. D.;Serbo, V. G.;
7:12:1:31 Spin-to-Orbital Angular Momentum Conversion and Spin-Polarization Filtering in Electron Beams [vol 108, 044801, 2012]
DOI:10.1103/PhysRevLett.109.209901 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:0 AU: Karimi, Ebrahim;Marrucci, Lorenzo;Grillo, Vincenzo;Santamato, Enrico;
7:12:1:32 Comment on "Electromagnetic Vortex Fields, Spin, and Spin-Orbit Interactions in Electron Vortices"
DOI:10.1103/PhysRevLett.113.029501 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Schattschneider, P.;Rehr, J. J.;Allen, L. J.;
7:12:1:33 Interaction of Relativistic Electron-Vortex Beams with Few-Cycle Laser Pulses (vol 112, 134801, 2014)
DOI:10.1103/PhysRevLett.112.149903 JN:PHYSICAL REVIEW LETTERS PY:2014 TC:0 AU: Hayrapetyan, Armen G.;Matula, Oliver;Aiello, Andrea;Surzhykov, Andrey;Fritzsche, Stephan;
7:12:2:1 Advanced Electron Microscopy for Advanced Materials
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7:12:2:2 Three-Dimensional Morphology of Iron Oxide Nanoparticles with Reactive Concave Surfaces. A Compressed Sensing-Electron Tomography (CS-ET) Approach
DOI:10.1021/nl202253a JN:NANO LETTERS PY:2011 TC:43 AU: Saghi, Zineb;Holland, Daniel J.;Leary, Rowan;Falqui, Andrea;Bertoni, Giovanni;Sederman, Andrew J.;Gladden, Lynn F.;Midgley, Paul A.;
7:12:2:3 Measuring Porosity at the Nanoscale by Quantitative Electron Tomography
DOI:10.1021/nl103172r JN:NANO LETTERS PY:2010 TC:37 AU: Biermans, E.;Molina, L.;Batenburg, K. J.;Bals, S.;Van Tendeloo, G.;
7:12:2:4 Structure and Relative Thermal Stability of Mesoporous (La,Sr)MnO3 Powders Prepared Using Evaporation-Induced Self-Assembly Methods
DOI:10.1111/j.1551-2916.2012.05236.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2012 TC:3 AU: Chao, Robin;Munprom, Ratiporn;Petrova, Rumyana;Gerdes, Kirk;Kitchin, John R.;Salvador, Paul A.;
7:12:2:5 Three-dimensional visualization of nanoscale structure and deformation
DOI:10.1557/jmr.2013.245 JN:JOURNAL OF MATERIALS RESEARCH PY:2013 TC:0 AU: McCumiskey, Edward J.;Rudawski, Nicholas G.;Sawyer, W. Gregory;Taylor, Curtis R.;
7:12:3:1 Electromagnetic wave absorption properties of multi-walled carbon nanotubes decorated with La-doped BaTiO3 nanocrystals synthesized by a solvothermal method
DOI:10.1016/j.matchemphys.2011.01.015 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:15 AU: Bi, Cheng;Zhu, Meifang;Zhang, Qinghong;Li, Yaogang;Wang, Hongzhi;
7:12:3:2 Molten salt route of well dispersive barium titanate nanoparticles
DOI:10.1016/j.powtec.2011.11.043 JN:POWDER TECHNOLOGY PY:2012 TC:17 AU: Zhang, Yan;Wang, Liqiu;Xue, Dongfeng;
7:12:3:3 Low-temperature preparation of lanthanum-doped BiFeO3 crystallites by a sol-gel-hydrothermal method
DOI:10.1016/j.ceramint.2011.03.081 JN:CERAMICS INTERNATIONAL PY:2011 TC:16 AU: Chen, Zhiwu;Hu, Jianqiang;Lu, Zhenya;He, Xinhua;
7:12:3:4 Low-temperature synthesis of BaTiO3 powders by the sol-gel-hydrothermal method
DOI:10.1016/j.ceramint.2013.02.055 JN:CERAMICS INTERNATIONAL PY:2013 TC:15 AU: Wang, Wenwen;Cao, Lixin;Liu, Wei;Su, Ge;Zhang, Wenxing;
7:12:3:5 Formation mechanism of zirconia nano-particles containing pores prepared via sol-gel-hydrothermal method
DOI:10.1016/j.apt.2009.11.003 JN:ADVANCED POWDER TECHNOLOGY PY:2010 TC:7 AU: Chang, Qibing;Zhou, Jian-er;Wang, Yongqing;Meng, Guangyao;
7:12:3:6 Stearic acid gel derived MgTiO3 nanoparticles: A low temperature intermediate phase of Mg2TiO4
DOI:10.1016/j.jallcom.2009.11.181 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:13 AU: Li, Dandan;Wang, Liqiu;Xue, Dongfeng;
7:12:3:7 Low-temperature synthesis of single-crystalline BiFeO3 using molten KCl-KBr salt
DOI:10.1016/j.ceramint.2013.03.025 JN:CERAMICS INTERNATIONAL PY:2013 TC:2 AU: Liu, Yin;Qian, Qian;Yi, Zhiguo;Zhang, Lei;Min, Fanfei;Zhang, Mingxu;
7:12:3:8 Preparation and microwave absorption properties of Ag-doped BaTiO3 nanocomposites
DOI:10.1016/j.jmmm.2014.05.037 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:0 AU: Zhang, Meng;Zheng, Ji;Liang, Lu;Jiang, Fei;Wang, Ying;
7:12:3:9 Synthesis and characterization of pure tetragonal nanocrystalline sulfated 8YSZ powder by sol-gel route
DOI:10.1016/j.powtec.2012.02.013 JN:POWDER TECHNOLOGY PY:2012 TC:6 AU: Heshmatpour, Felora;Khodaiy, Zahra;Aghakhanpour, Reza Babadi;
7:12:4:1 Resolving the Structure of Active Sites on Platinum Catalytic Nanoparticles
DOI:10.1021/nl101642f JN:NANO LETTERS PY:2010 TC:48 AU: Chang, Lan Yun;Barnard, Amanda S.;Gontard, Lionel Cervera;Dunin-Borkowski, Rafal E.;
7:12:4:2 Direct Subangstrom Measurement of Surfaces of Oxide Particles
DOI:10.1103/PhysRevLett.105.226101 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:13 AU: Yu, R.;Hu, L. H.;Cheng, Z. Y.;Li, Y. D.;Ye, H. Q.;Zhu, J.;
7:12:4:3 Subangstrom Profile Imaging of Relaxed ZnO(10(1)over-bar0) Surfaces
DOI:10.1021/nl2036172 JN:NANO LETTERS PY:2012 TC:9 AU: He, Mo-Rigen;Yu, Rong;Zhu, Jing;
7:12:4:4 Atomic-scale determination of surface facets in gold nanorods
DOI:10.1038/NMAT3462 JN:NATURE MATERIALS PY:2012 TC:75 AU: Goris, Bart;Bals, Sara;Van den Broek, Wouter;Carbo-Argibay, Enrique;Gomez-Grana, Sergio;Liz-Marzan, Luis M.;Van Tendeloo, Gustaaf;
7:12:4:5 Surface-induced structural modification in ZnO nanoparticles
DOI:10.1007/s11051-012-1162-4 JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2012 TC:1 AU: Schoenhalz, Aline L.;Dalpian, Gustavo M.;
7:12:5:1 Significant increase of Curie temperature in nano-scale BaTiO3
DOI:10.1063/1.4901169 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Li, Yueliang;Liao, Zhenyu;Fang, Fang;Wang, Xiaohui;Li, Longtu;Zhu, Jing;
7:12:5:2 Fabrication of Monodispersed 5-nm BaTiO3 Nanocrystals with Narrow Size Distribution via One-Step Solvothermal Route
DOI:10.1111/j.1551-2916.2011.04805.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:13 AU: Zhang, Hui;Wang, Xiaohui;Tian, Zhibin;Zhong, Caifu;Zhang, Yichi;Sun, Changku;Li, Longtu;
7:12:5:3 Phase transitions in nanoparticles of BaTiO3 as functions of temperature and pressure
DOI:10.1063/1.4806996 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:5 AU: Han, Wei;Zhu, Jinlong;Zhang, Sijia;Zhang, Hui;Wang, Xiaohui;Wang, Qinglin;Gao, Chunxiao;Jin, Changqing;
7:12:5:4 Phase coexistence evolution of nano BaTiO3 as function of particle sizes and temperatures
DOI:10.1063/1.4751332 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Zhu, Jinlong;Han, Wei;Zhang, Hui;Yuan, Zhen;Wang, Xiaohui;Li, Longtu;Jin, Changqin;
7:12:5:5 Raman spectroscopic study of the size-dependent order parameter of barium titanate
DOI:10.1063/1.4880996 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Sendova, Mariana;Hosterman, Brian D.;
7:12:5:6 Active Silicon Integrated Nanophotonics: Ferroelectric BaTiO3 Devices
DOI:10.1021/nl404513p JN:NANO LETTERS PY:2014 TC:12 AU: Xiong, Chi;Pernice, Wolfram H. P.;Ngai, Joseph H.;Reiner, James W.;Kumah, Divine;Walker, Frederick J.;Ahn, Charles H.;Tang, Hong X.;
7:12:6:1 Surfactant Organic Molecules Restore Magnetism in Metal-Oxide Nanoparticle Surfaces
DOI:10.1021/nl300665z JN:NANO LETTERS PY:2012 TC:34 AU: Salafranca, Juan;Gazquez, Jaume;Perez, Nicolas;Labarta, Amilcar;Pantelides, Sokrates T.;Pennycook, Stephen J.;Batlle, Xavier;Varela, Maria;
7:12:6:2 Circular dichroism in the electron microscope: Progress and applications (invited)
DOI:10.1063/1.3365517 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:14 AU: Schattschneider, P.;Ennen, I.;Loeffler, S.;Stoeger-Pollach, M.;Verbeeck, J.;
7:12:6:3 Site-specific chirality in magnetic transitions
DOI:10.1016/j.jmmm.2012.03.050 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:3 AU: Ennen, I.;Loeffler, S.;Kuebel, C.;Wang, D.;Auge, A.;Huetten, A.;Schattschneider, P.;
7:12:6:4 Atomic site sensitivity of the energy loss magnetic chiral dichroic spectra of complex oxides
DOI:10.1063/1.3556769 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Calmels, L.;Rusz, J.;
7:12:7:1 Electronic structure of magnetic semiconductor CdCr2Te4: A possible spin-dependent symmetry filter
DOI:10.1063/1.4827818 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Sims, H.;Ramasamy, K.;Butler, W. H.;Gupta, A.;
7:12:7:2 Colloidal Synthesis of Magnetic CuCr2S4 Nanocrystals and Nanoclusters
DOI:10.1021/ja209575w JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2011 TC:7 AU: Ramasamy, Karthik;Mazumdar, Dipanjan;Zhou, Ziyou;Wang, Yu-Hsiang A.;Gupta, Arunava;
7:12:7:3 CoxCu1-xCr2S4 Nanocrystals: Synthesis, Magnetism, and Band Structure Calculations
DOI:10.1021/cm401938f JN:CHEMISTRY OF MATERIALS PY:2013 TC:3 AU: Ramasamy, Karthik;Sims, Hunter;Gupta, Ram K.;Kumar, Dhananjay;Butler, William H.;Gupta, Arunava;
7:12:7:4 Structural and magnetic resonance investigations of CuCr2S4 nanoclusters and nanocrystals
DOI:10.1063/1.4891993 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Pankrats, A. I.;Vorotynov, A. M.;Tugarinov, V. I.;Zharkov, S. M.;Velikanov, D. A.;Abramova, G. M.;Zeer, G. M.;Ramasamy, K.;Gupta, A.;
7:12:7:5 Synthesis, characterization and magnetic properties of nearly monodisperse CuCr2Se4 nanoparticles
DOI:10.1088/0957-4484/21/23/235603 JN:NANOTECHNOLOGY PY:2010 TC:7 AU: Lin, Chun-Rong;Yeh, Cheng-Lung;Lu, Shih-Zong;Lyubutin, Igor S.;Wang, Sheng-Chang;Suzdalev, Igor P.;
7:12:7:6 Electron spin resonance in CuCrS(2) chrome-copper disulphides synthesized by different methods
DOI:10.1063/1.3374679 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Abramova, Galina;Pankrats, Anatolii;Petrakovskii, German;Rasch, Julia C. E.;Boehm, Martin;Vorotynov, Aleksandr;Tugarinov, Vasilii;Szumszak, Rita;Bovina, Asya;Vasil'ev, Viktor;
7:12:8:1 Substrate-induced strain and its effect in CrO2 thin films
DOI:10.1063/1.3475993 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:6 AU: Pathak, M.;Sato, H.;Zhang, X.;Chetry, K. B.;Mazumdar, D.;LeClair, P.;Gupta, A.;
7:12:8:2 CrO2 thin films epitaxially grown on TiO2 (001): Electronic structure and magnetic properties
DOI:10.1063/1.3552991 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Huang, Xing;Yan, X. H.;Zhu, Z. H.;Yang, Y. R.;Guo, Y. D.;
7:12:8:3 Electrical switching effect of a single-unit-cell CrO2 layer on rutile TiO2 surface
DOI:10.1063/1.4869852 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Li, Si-Da;Liu, Bang-Gui;
7:12:8:4 Structural and magnetic properties of epitaxial CrO2 thin films grown on TiO2 (001) substrates
DOI:10.1063/1.4802957 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Zhang, Xueyu;Zhong, Xing;Visscher, P. B.;LeClair, Patrick R.;Gupta, Arunava;
7:12:8:5 Anomalous transport in half-metallic ferromagnetic CrO2
DOI:10.1103/PhysRevB.88.085123 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Anwar, M. S.;Aarts, J.;
7:12:8:6 Anomalous Hall effect behavior in (100) and (110) CrO2 thin films
DOI:10.1063/1.3583568 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:0 AU: Sato, H.;Pathak, M.;Mazumdar, D.;Zhang, X.;Mankey, G. J.;LeClair, P.;Gupta, A.;
7:12:9:1 Band gap narrowing in BaTiO3 nanoparticles facilitated by multiple mechanisms
DOI:10.1063/1.4871776 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:3 AU: Ramakanth, S.;Raju, K. C. James;
7:12:9:2 Thermometry based on phonon confinement effect in nanoparticles
DOI:10.1063/1.3565250 JN:APPLIED PHYSICS LETTERS PY:2011 TC:14 AU: Wang, Junwei;Huang, Liping;
7:12:9:3 Substrate effect on phonon confinement in TiO2 nanoparticles for thermal sensing application
DOI:10.1063/1.48959231 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Mishra, Ashish Kumar;Huang, Liping;
7:12:9:4 Synthesis of Monodispersed Barium Titanate Nanoparticles with Narrow Size Distribution by a Modified Alkoxide-Hydroxide Sol-Precipitation Method
DOI:10.1111/j.1551-2916.2010.04126.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:6 AU: Zhang, Xiaoquan;Wang, Xiaohui;Tian, Zhibin;Sun, Tieyu;Li, Longtu;
7:12:10:1 Observation of fluctuation-induced tunneling conduction in micrometer-sized tunnel junctions
DOI:10.1063/1.4749251 JN:AIP ADVANCES PY:2012 TC:5 AU: Lai, Yu-Ren;Yu, Kai-Fu;Lin, Yong-Han;Wu, Jong-Ching;Lin, Juhn-Jong;
7:12:10:2 Fluctuation-induced tunneling conduction through RuO2 nanowire contacts
DOI:10.1063/1.3638707 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Lin, Yong-Han;Lin, Juhn-Jong;
7:12:10:3 Barrier height and tunneling aspects in (110) CrO2 with its natural barrier
DOI:10.1063/1.3626471 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Pathak, M.;Mazumdar, D.;Karthik, V.;Zhang, X.;Chetry, K. B.;Keshavarz, S.;LeClair, P.;Gupta, A.;
7:12:10:4 Synthesis and electrical conductivity of perchlorate-doped TTF-diamide nanofibers with double and triple helix structures
DOI:10.1039/c0jm02628j JN:JOURNAL OF MATERIALS CHEMISTRY PY:2010 TC:11 AU: Ahn, Sejung;Kim, Yukyung;Beak, Seungjae;Ishimoto, Shohei;Enozawa, Hideo;Isomura, Eigo;Hasegawa, Masashi;Iyoda, Masahiko;Park, Yungwoo;
7:12:11:1 Determining the anisotropic exchange coupling of CrO2 via first-principles density functional theory calculations
DOI:10.1103/PhysRevB.81.224436 JN:PHYSICAL REVIEW B PY:2010 TC:11 AU: Sims, H.;Oset, S. J.;Butler, W. H.;MacLaren, James M.;Marsman, Martijn;
7:12:11:2 A comparison of the growth modes of (100)- and (110)- oriented CrO2 films through the calculation of surface and interface energies
DOI:10.1063/1.3664768 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Chetry, K. B.;Sims, H.;Butler, W. H.;Gupta, A.;
7:12:11:3 Preparation and characterization of CrO2 films by Low Pressure Chemical Vapor Deposition from CrO3
DOI:10.1016/j.tsf.2013.04.118 JN:THIN SOLID FILMS PY:2013 TC:1 AU: Aguilera, C.;Gonzalez, J. C.;Borras, A.;Margineda, D.;Gonzalez, J. M.;Gonzalez-Elipe, A. R.;Espinos, J. P.;
7:12:11:4 Electronic and magnetic structure of CrO2-RuO2 interfaces
DOI:10.1103/PhysRevB.84.054438 JN:PHYSICAL REVIEW B PY:2011 TC:1 AU: Chetry, K. B.;Sims, H.;Butler, W. H.;Gupta, A.;
7:12:11:5 Comparing magnetotransport and surface magnetic properties of half-metallic CrO2 films grown by low pressure and atmospheric pressure chemical vapor deposition
DOI:10.1063/1.3367783 JN:APPLIED PHYSICS LETTERS PY:2010 TC:2 AU: Pathak, M.;Zhong, X.;Wang, J.;Zhang, X.;Klein, T. M.;LeClair, P.;Gupta, A.;
7:12:12:1 30-kV spin-polarized transmission electron microscope with GaAs-GaAsP strained superlattice photocathode
DOI:10.1063/1.4737177 JN:APPLIED PHYSICS LETTERS PY:2012 TC:8 AU: Kuwahara, M.;Kusunoki, S.;Jin, X. G.;Nakanishi, T.;Takeda, Y.;Saitoh, K.;Ujihara, T.;Asano, H.;Tanaka, N.;
7:12:12:2 Coherence of a spin-polarized electron beam emitted from a semiconductor photocathode in a transmission electron microscope
DOI:10.1063/1.4901745 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Kuwahara, Makoto;Kusunoki, Soichiro;Nambo, Yoshito;Saitoh, Koh;Jin, Xiuguang;Ujihara, Toru;Asano, Hidefumi;Takeda, Yoshikazu;Tanaka, Nobuo;
7:12:12:3 Photoemission lifetime of a negative electron affinity gallium nitride photocathode
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7:12:13:1 In Situ Electrochemical Electron Microscopy Study of Oxygen Evolution Activity of Doped Manganite Perovskites
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7:12:13:2 Energy saving in electrolytic hydrogen production using Co-Cr activation - Part I
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7:12:13:3 Cobalt-chrome activation of the nickel electrodes for the HER in alkaline water electrolysis - Part II
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7:12:14:1 Influence of synthesis conditions on the properties of electrochemically synthesized BaTiO3 nanoparticles
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7:12:14:2 Low-temperature fabrication of Ba1-xSrxTiO3 thin films with good dielectric properties on platinized silicon substrates
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7:12:14:3 Low temperature fabrication of barium titanate hybrid films and their dielectric properties
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7:12:15:1 Electron Vortex Production and Control Using Aberration Induced Diffraction Catastrophes
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7:12:15:2 Transport of Intensity Phase Retrieval of Arbitrary Wave Fields Including Vortices
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7:12:16:2 Generation of High-Purity Higher-Order Laguerre-Gauss Beams at High Laser Power
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7:12:17:1 Electromagnetic Duality Symmetry and Helicity Conservation for the Macroscopic Maxwell's Equations
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7:12:17:2 Role of duality symmetry in transformation optics
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7:13:1:1 Low-temperature synthesis of solid-solution BaxSr1-xTiO3 nanocrystals
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7:13:1:2 Structural Evolution of BaTiO3 Nanocrystals Synthesized at Room Temperature
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7:13:1:3 Local Structure of Ba1-xSrxTiO3 and BaTi1-yZryO3 Nanocrystals Probed by X-ray Absorption and X-ray Total Scattering
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7:13:1:4 Low Temperature Synthesis of Complex Ba1-xSrxTi1-yZryO3 Perovskite Nanocrystals
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7:13:1:5 Vapor Diffusion Sol-Gel Synthesis of Fluorescent Perovskite Oxide Nanocrystals
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7:13:1:6 Rapid Formation of Nanocrystalline BaTiO3 and Its Highly Stable Sol
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7:13:1:7 Low-temperature synthesis of crystalline BaTiO3 nanoparticles by one-step "organosol''-precipitation
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7:13:1:8 Low-Temperature Synthesis of AMoO(4) (A = Ca, Sr, Ba) Scheelite Nanocrystals
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7:13:1:9 Nonmonotonic crystallite-size dependence of the lattice parameter of nanocrystalline nickel
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7:13:1:10 Tailoring the Mechanism of the Amorphous-to-Crystalline Phase Transition of PbTiO3 via Kinetically Controlled Hydrolysis
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7:13:2:1 An improved method for preparation of SrTiO3 nanoparticles
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7:13:2:2 Single-Crystal-like Mesoporous SrTiO3 Spheres with Enhanced Photocatalytic Performance
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7:13:2:3 Microwave-assisted rapid synthesis and photocatalytic activity of mesoporous Nd-doped SrTiO3 nanospheres and nanoplates
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7:13:2:4 Synthesis, structure and properties of heavily Mn-doped perovskite-type SrTiO3 nanoparticles
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7:13:2:5 Soft chemistry preparation methods and properties of strontium titanate nanoparticles
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7:13:2:6 Porous SrTiO3 spheres with enhanced photocatalytic performance
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7:13:2:7 Liquid-solid reaction synthesis of SrTiO3 submicron-sized particles
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7:13:2:8 Relationship between Crystal Shape, Photoluminescence, and Local Structure in SrTiO3 Synthesized by Microwave-Assisted Hydrothermal Method
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7:13:2:9 Facile synthesis of SrTiO3 hollow microspheres built as assembly of nanocubes and their associated photocatalytic activity
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7:13:2:10 Solvothermal Synthesis of Shape-Controlled Perovskite MTiO3 (M = Ba, Sr, and Ca) Particles in H2O/Polyols Mixed Solutions
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7:13:2:11 Fuel Additives and Heat Treatment Effect on the Structure and Morphology of Strontium Titanate Nanopowders Prepared by the Sol-gel Combustion Method
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7:13:2:12 Solvothermal synthesis of SnNb2O6 nanoplates and enhanced photocatalytic H-2 evolution under visible light
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7:13:2:13 The poly(ethylene glycol) assisted preparation of NH4TiOF3 mesocrystals and their topotactic conversion to TiO2
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7:13:2:14 Chemical solution approach to SrTiO3 synthesis using a new precursor
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7:13:2:15 Preparation of SrTiO3 Nanopowder via Sol-gel Combustion Method
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7:13:2:16 Quantum size effect and emission enhancement by energy transfer in system: Nanosized SrTiO3 and Tb(III) ions entrapped on silica support
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7:13:2:17 Solvothermal synthesis of nanocrystalline KTaO3: Effect of solvent dielectric constant
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7:13:3:1 High K Capacitors and OFET Gate Dielectrics from Self-Assembled BaTiO3 and (Ba,Sr)TiO3 Nanocrystals in the Superparaelectric Limit
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7:13:3:2 Structure and performance of dielectric films based on self-assembled nanocrystals with a high dielectric constant
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7:13:3:3 Comprehensive dielectric performance of bismuth acceptor doped BaTiO3 based nanocrystal thin film capacitors
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7:13:3:4 Intrinsic dielectric frequency dependent spectrum of a single domain tetragonal BaTiO3
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7:13:3:5 Influence of electromigration on the maximum operating field of (Ba,Sr)TiO3/parylene-C composite capacitors
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7:13:3:6 Comment on "Intrinsic dielectric frequency dependent spectrum of a single domain tetragonal BaTiO3" [J. Appl. Phys. 112, 014108 (2012)]
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7:13:3:7 Effects of polymerization conditions on the properties of poly(furfuryl alcohol) composite membranes
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7:13:3:8 Comment on "High K Capacitors and OFET Gate Dielectrics from Self-Assembled BaTiO3 and (Ba,Sr) TiO3 Nanocrystals in the Superparaelectric Limit" - On the Superparaelectric State in BaTiO3 Nanocrystals
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7:13:3:9 Laboratory pentacene and parylene evaporation systems for fabricating organic thin film devices
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7:13:3:10 Influence of Cobalt Ion Doping on Tetragonal-Orthorhombic Polymorphic Transformation and Dielectric Behavior of Barium Titanate Nanoparticles
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7:13:3:11 Response to "Comment on 'Intrinsic dielectric frequency dependent spectrum of a single domain tetragonal BaTiO3'" [J. Appl. Phys. 113, 126104 (2013)]
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7:13:3:12 Raman Responses in Mechanically Activated BaTiO3
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7:13:3:13 Structure and performance of dielectric films based on self-assembled nanocrystals with a high dielectric constant (vol 24, 415602, 2013)
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7:13:3:14 Barrier properties of polyethylene terephthalate, atactic polypropylene, and cis-1,4-polybutadiene via molecular dynamics simulation
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7:13:4:1 Low temperature preparation of nanocrystalline SrTiO3 and BaTiO3 from alkaline earth nitrates and TiO2 nanocrystals
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7:13:4:2 Photocatalytic properties of SrTiO3 nanoparticles prepared by a polyacrylamide gel route
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7:13:4:3 Solvothermal synthesis of strontium titanate nanocrystallines from metatitanic acid and photocatalytic activities
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7:13:4:4 Preparation of nanocrystalline SrTiO3 powder by sol-gel combustion method
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7:13:4:5 Preparation of SrTiO3 nanoparticles by the combination of solid phase grinding and low temperature calcining
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7:13:4:6 Substitution site and photoluminescence spectra of Eu3+-substituted SrTiO3 prepared by Pechini method
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7:13:4:7 Microstructure and dielectric tunable properties of SrO(Sr1-xBaxTiO3)(n) microwave ceramics
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7:13:4:8 Milling-induced phenomena in SrTiO3
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7:13:5:1 Low temperature molten salt synthesis of SrTiO3 submicron crystallites and nanocrystals in the eutectic NaCl-KCl
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7:13:5:2 Synthesis and characterization of Bi3NbTiO9 powders prepared by molten salt method
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7:13:5:3 Morphology and structure of LiNb0.6Ti0.5O3 particles by molten salt synthesis
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7:13:5:4 Influence of synthesis conditions on the microstructure of Li-Ta-Ti-O microsheets by molten salt method
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7:13:5:5 Anisotropic Dielectric Properties of LiNb0.6Ti0.5O3 Microwave Ceramics by Screen-Printing Templated Grain Growth
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7:13:5:6 Synthesis of Bi2SiO5 powder by molten salt method
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7:13:5:7 The effects of processing parameters on molten salt synthesis of CaZrO3 nano-powders using oxide precursors
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7:13:5:8 Textured Li0.95Nb0.45Ti0.7O3 Microwave Ceramics with Continuously Tunable Dielectric Properties
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7:13:5:9 Synthesis and characterization of LiCoO2-coated LiNi0.8Co0.15Al0.05O2 cathode materials
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7:13:6:1 Enhanced dielectric properties of Ti-doped Ta2O5 single crystal grown by floating zone technique
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7:13:6:2 Molten salt synthesis of SrTiO3 nanocrystals using nanocrystalline TiO2 as a precursor
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7:13:6:3 Synthesis, characterization and photocatalytic properties of lithium tantalate
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7:13:6:4 Structural, optical, and morphological properties of laser ablated ZnO doped Ta2O5 films
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7:13:6:5 Powder synthesis and properties of LiTaO3 ceramics
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7:13:6:6 Powder Synthesis and Hot-Pressing of a LiTaO3 Ceramic
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7:13:6:7 Photocatalytic hydrogen production in the water/methanol system using Pt/RE:NaTaO3 (RE = Y, La, Ce, Yb) catalysts
DOI:10.1016/j.ijhydene.2013.12.182 JN:INTERNATIONAL JOURNAL OF HYDROGEN ENERGY PY:2014 TC:2 AU: Jana, P.;Mata Montero, C.;Pizarro, P.;Coronado, J. M.;Serrano, D. P.;de la Pena O'Shea, V. A.;
7:13:6:8 Growth and characterization of Fe:Ti:Al2O3 single crystal by floating zone method
DOI:10.1016/j.jcrysgro.2013.02.024 JN:JOURNAL OF CRYSTAL GROWTH PY:2013 TC:1 AU: Xu, Hong;Jiang, Yijian;Fan, Xiujun;Wang, Yue;Liu, Guoqing;
7:13:6:9 Characterization of domain configurations in LiTaO3/Al2O3 ceramic composites
DOI:10.1016/j.matchemphys.2010.08.085 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:3 AU: Liu, Yan'gai;Zhou, Yu;Jia, Dechang;Huang, Zhaohui;Fang, Minghao;
7:13:7:1 Effect of Firing Temperatures on Phase and Morphology Evolution of CaZrO3 Ceramics Synthesized Using the Combustion Technique
DOI:10.1080/00150191003744476 JN:FERROELECTRICS PY:2010 TC:9 AU: Thongtha, Atthakorn;Laowanidwatana, Artid;Bongkarn, Theerachai;
7:13:7:2 Influence of Sintering Temperature on Phase Formation, Microstructure and Dielectric Properties of Calcium and Strontium Doped BNT Ceramics Prepared via Combustion Technique
DOI:10.1080/00150193.2013.843425 JN:FERROELECTRICS PY:2013 TC:0 AU: Sittiketkorn, Panadda;Laowanidwatana, Artid;Vittayakorn, Naratip;Bongkarn, Theerachai;
7:13:7:3 Fabrication of (Ba1-xSrx)(ZrxTi1-x) O-3 ceramics prepared using the combustion technique
DOI:10.1088/0964-1726/19/12/124001 JN:SMART MATERIALS & STRUCTURES PY:2010 TC:6 AU: Thongtha, A.;Angsukased, K.;Bongkarn, T.;
7:13:7:4 The Effects of Firing Temperatures on Phase Formation and Microstructure of Pb0.975Sr0.025TiO3 Ceramics Synthesized via the Combustion Technique
DOI:10.1080/00150191003751141 JN:FERROELECTRICS PY:2010 TC:5 AU: Sittiketkorn, Panadda;Ramaneepikool, Somnuk;Bongkarn, Theerachai;
7:13:7:5 Preparation of (Ba1-xSrx)(ZrxTi1-x)O3 Ceramics via the Solid State Reaction Method
DOI:10.1080/00150191003748907 JN:FERROELECTRICS PY:2010 TC:4 AU: Thongtha, Atthakorn;Angsukased, Kritsana;Riyamongkol, Naowarat;Bongkarn, Theerachai;
7:13:7:6 Combustion Synthesis and Characterization of Perovskite (Pb0.75Ca0.13Sm0.08) (Ti0.98Mn0.02)O-3 Ceramics
DOI:10.1080/00150193.2013.843402 JN:FERROELECTRICS PY:2013 TC:0 AU: Thongtha, Atthakorn;Tupmongkol, Sariya;Laowanidwatana, Artid;Bongkarn, Theerachai;
7:13:7:7 Phase Formation, Microstructure and Dielectric Properties of Bismuth Potassium Titanate Ceramic Fabricated Using the Combustion Technique
DOI:10.1080/10584587.2013.852921 JN:INTEGRATED FERROELECTRICS PY:2013 TC:1 AU: Thongtha, Atthakorn;Laowanidwatana, Artid;Bongkarn, Theerachai;
7:13:7:8 Low Temperature Fabrication of Lead-Free KNN-BNT Ceramics via the Combustion Technique
DOI:10.1080/00150193.2013.850351 JN:FERROELECTRICS PY:2014 TC:0 AU: Mathrmool, Krailas;Akkarapongtrakul, Aniruj;Sukkum, Supattra;Bongkarn, Theerachai;
7:13:7:9 Effects of Ca and Mn Additions on the Microstructure and Dielectric Properties of (Bi0.5Na0.5)TiO3 Ceramics
DOI:10.1007/s11664-011-1731-9 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2011 TC:8 AU: Yuan, Y.;Li, E. Z.;Li, B.;Tang, B.;Zhou, X. H.;
7:13:7:10 Low Temperature Fabrication of Dense Calcium Titanate Ceramics via Combustion Technique
DOI:10.1080/10584587.2014.874826 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Julphunthong, Phongthorn;Phengraek, Boonyaphas;Laowanidwatana, Artid;Bongkarn, Theerachai;
7:13:8:1 Structural and spectroscopic studies of La2Ce2O7: Disordered fluorite versus pyrochlore structure
DOI:10.1103/PhysRevB.85.132101 JN:PHYSICAL REVIEW B PY:2012 TC:8 AU: Reynolds, Emily;Blanchard, Peter E. R.;Zhou, Qingdi;Kennedy, Brendan J.;Zhang, Zhaoming;Jang, Ling-Yun;
7:13:8:2 Energetics and concentration of defects in Gd2Ti2O7 and Gd2Zr2O7 pyrochlore at high pressure
DOI:10.1016/j.actamat.2010.11.025 JN:ACTA MATERIALIA PY:2011 TC:14 AU: Wang, Jianwei;Zhang, Fuxiang;Lian, Jie;Ewing, Rodney C.;Becker, Udo;
7:13:8:3 Pressure and temperature phase diagram of Gd2Ti2O7 under irradiation
DOI:10.1063/1.4901577 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Catillon, G.;Chartier, A.;
7:13:8:4 Solid-state diffusion in amorphous zirconolite
DOI:10.1063/1.4901326 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Yang, C.;Zarkadoula, E.;Dove, M. T.;Todorov, I. T.;Geisler, T.;Brazhkin, V. V.;Trachenko, K.;
7:13:8:5 Novel potentials for modelling defect formation and oxygen vacancy migration in Gd2Ti2O7 and Gd2Zr2O7 pyrochlores
DOI:10.1039/c2jm15264a JN:JOURNAL OF MATERIALS CHEMISTRY PY:2012 TC:8 AU: Gunn, David S. D.;Allan, Neil L.;Foxhall, Henry;Harding, John H.;Purton, John A.;Smith, W.;Stein, Michael J.;Todorov, Ilian T.;Travis, Karl P.;
7:13:8:6 Understanding the radiation-induced amorphization of zirconolite using molecular dynamics and connectivity topology analysis
DOI:10.1080/14786435.2012.718448 JN:PHILOSOPHICAL MAGAZINE PY:2013 TC:3 AU: Foxhall, H. R.;Travis, K. P.;Hobbs, L. W.;Rich, S. C.;Owens, S. L.;
7:13:8:7 Rapid synthesis of single phase Gd2Zr2O7 pyrochlore waste forms by microwave sintering
DOI:10.1016/j.ceramint.2014.05.024 JN:CERAMICS INTERNATIONAL PY:2014 TC:2 AU: Lu, Xirui;Ding, Yi;Dan, Hui;Yuan, Shibin;Mao, Xueli;Fan, Long;Wu, Yanlin;
7:13:9:1 Optical properties and band gap characterization of high dielectric constant oxides
DOI:10.1016/j.tsf.2011.10.195 JN:THIN SOLID FILMS PY:2012 TC:11 AU: Fursenko, O.;Bauer, J.;Lupina, G.;Dudek, P.;Lukosius, M.;Wenger, Ch.;Zaumseil, P.;
7:13:9:2 Investigation of Embedded Perovskite Nanoparticles for Enhanced Capacitor Permittivities
DOI:10.1021/am504831q JN:ACS APPLIED MATERIALS & INTERFACES PY:2014 TC:0 AU: Krause, Andreas;Weber, Walter M.;Pohl, Darius;Rellinghaus, Bernd;Verheijen, Marcel;Mikolajick, Thomas;
7:13:9:3 Ab initio calculations of the atomic and electronic structure of BaZrO3 (111) surfaces
DOI:10.1016/j.ssi.2012.10.023 JN:SOLID STATE IONICS PY:2013 TC:6 AU: Eglitis, R. I.;
7:13:9:4 Reduction of leakage currents with nanocrystals embedded in an amorphous matrix in metal-insulator-metal capacitor stacks
DOI:10.1063/1.3664395 JN:APPLIED PHYSICS LETTERS PY:2011 TC:1 AU: Krause, A.;Weber, W. M.;Schroeder, U.;Pohl, D.;Rellinghaus, B.;Heitmann, J.;Mikolajick, T.;
7:13:9:5 Evaluation of the electrical and physical properties of thin calcium titanate high-k insulators for capacitor applications
DOI:10.1116/1.3521507 JN:JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B PY:2011 TC:3 AU: Krause, A.;Weber, W.;Jahn, A.;Richter, K.;Pohl, D.;Rellinghaus, B.;Schroeder, U.;Heitmann, J.;Mikolajick, T.;
7:13:9:6 First-Principles Calculations of the Atomic and Electronic Structure of CaTiO3 (111) Surfaces
DOI:10.1080/00150193.2011.623620 JN:FERROELECTRICS PY:2011 TC:8 AU: Eglitis, R. I.;
7:13:9:7 Effect of the composition on the bandgap width of high-kappa MexTiyOz (Me = Hf, Ta, Sr) layers
DOI:10.1016/j.tsf.2011.02.008 JN:THIN SOLID FILMS PY:2011 TC:2 AU: Wang, W. C.;Badylevich, M.;Afanas'ev, V. V.;Stesmans, A.;Popovici, M.;Tomida, K.;Menou, N.;Kittl, J. A.;Lukosius, M.;Kaynak, C. Baristiran;Wenger, Ch.;
7:13:10:1 Effect of oxygen vacancy on the dielectric relaxation of BaTiO3 thin films in a quenched state
DOI:10.1063/1.4717758 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Yao, Sheng-Hong;Yuan, Jin-Kai;Gonon, Patrice;Bai, Jinbo;Pairis, Sebastien;Sylvestre, Alain;
7:13:10:2 Extrinsic effects on dielectric response of ultrafine grain BaTiO3 ceramics
DOI:10.1063/1.3505924 JN:APPLIED PHYSICS LETTERS PY:2010 TC:12 AU: Zhang, Haitao;Deng, Xiangyun;Li, Ting;Zhang, Wen;Chen, Rike;Tian, Wenwei;Li, Jianbao;Wang, Xiaohui;Li, Longtu;
7:13:10:3 Dielectric and magnetic study of BaTi0.5Mn0.5O3 ceramics, synthesized by solid state sintering, mechanical alloying and chemical routes
DOI:10.1016/j.ceramint.2012.03.009 JN:CERAMICS INTERNATIONAL PY:2012 TC:4 AU: Bhowmik, R. N.;
7:13:10:4 Local structure and magnetic inhomogeneity of nano-sized La0.7Sr0.3MnO3 manganites
DOI:10.1063/1.3603003 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:5 AU: Ulyanov, A. N.;Yang, D. S.;Mazur, A. S.;Krivoruchko, V. N.;Levchenko, G. G.;Danilenko, I. A.;Konstantinova, T. E.;
7:13:11:1 Dielectric Grain-Size Effect in High-Permittivity Ceramics
DOI:10.1080/00150193.2010.505511 JN:FERROELECTRICS PY:2010 TC:18 AU: Petzelt, Jan;
7:13:11:2 Effective dielectric function of porous Pb(Mg1/3Nb2/3)O-3 ceramics
DOI:10.1103/PhysRevB.89.214307 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Nuzhnyy, D.;Petzelt, J.;Rychetsky, I.;Trefalt, G.;
7:13:11:3 Size Effects in Fine Barium Titanate Particles
DOI:10.1080/00150193.2010.505514 JN:FERROELECTRICS PY:2010 TC:7 AU: Sedykh, P.;Michel, D.;Charnaya, E. V.;Haase, J.;
7:13:11:4 Paraelectric Permittivity of (Sr0.8Pb0.2)TiO3-MgO Composites with Low MgO Content
DOI:10.1080/00150193.2014.922841 JN:FERROELECTRICS PY:2014 TC:0 AU: Somiya, Yoshitaka;Bhalla, Amar S.;Cross, L. Eric;
7:13:12:1 Dielectric relaxation study of amorphous TiTaO thin films in a large operating temperature range
DOI:10.1063/1.4761980 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Rouahi, A.;Kahouli, A.;Challali, F.;Besland, M. P.;Vallee, C.;Pairis, S.;Yangui, B.;Salimy, S.;Goullet, A.;Sylvestre, A.;
7:13:12:2 Atomic layer deposition of tantalum oxide and tantalum silicate from TaCl5, SiCl4, and O-3: growth behaviour and film characteristics
DOI:10.1039/c3tc31172d JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2013 TC:0 AU: Han, Jeong Hwan;Ungur, Elisaveta;Franquet, Alexis;Opsomer, Karl;Conard, Thierry;Moussa, Alain;De Gendt, Stefan;Van Elshocht, Sven;Adelmann, Christoph;
7:13:12:3 Ultra wide band frequency characterization of integrated TiTaO-based metal-insulator-metal devices
DOI:10.1063/1.3626067 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Bertaud, Thomas;Bermond, Cedric;Challali, Fatiha;Goullet, Antoine;Vallee, Christophe;Flechet, Bernard;
7:13:12:4 Atomic Vapor Depositions of Ti-Ta-O thin films for Metal-Insulator-Metal applications
DOI:10.1016/j.tsf.2011.01.239 JN:THIN SOLID FILMS PY:2011 TC:4 AU: Lukosius, M.;Kaynak, C. Baristiran;Wenger, Ch.;Ruhl, G.;Rushworth, S.;Baumann, P.;
7:13:12:5 Preparation and characterization of TaAlOx high-kappa dielectric for metal-insulator-metal capacitor applications
DOI:10.1016/j.tsf.2010.07.020 JN:THIN SOLID FILMS PY:2010 TC:7 AU: Hota, M. K.;Mahata, C.;Bera, M. K.;Mallik, S.;Sarkar, C. K.;Varma, S.;Maiti, C. K.;
7:13:12:6 Improved interface properties of Ge metal-oxide-semiconductor capacitor with TaTiO gate dielectric by using in situ TaON passivation interlayer
DOI:10.1063/1.3581891 JN:APPLIED PHYSICS LETTERS PY:2011 TC:1 AU: Ji, F.;Xu, J. P.;Liu, J. G.;Li, C. X.;Lai, P. T.;
7:13:13:1 Broad-band conductivity and dielectric spectroscopy of composites of multiwalled carbon nanotubes and poly(ethylene terephthalate) around their low percolation threshold
DOI:10.1088/0957-4484/24/5/055707 JN:NANOTECHNOLOGY PY:2013 TC:12 AU: Nuzhnyy, D.;Savinov, M.;Bovtun, V.;Kempa, M.;Petzelt, J.;Mayoral, B.;McNally, T.;
7:13:13:2 Permittivity of Polycrystalline Material
DOI:10.1080/00150193.2013.822781 JN:FERROELECTRICS PY:2013 TC:0 AU: Klic, A.;Rychetsky, I.;
7:13:13:3 Dynamic Ferroelectric-Like Softening Due to the Conduction in Disordered and Inhomogeneous Systems: Giant Permittivity Phenomena
DOI:10.1080/00150193.2012.671732 JN:FERROELECTRICS PY:2012 TC:12 AU: Petzelt, J.;Rychetsky, I.;Nuzhnyy, D.;
7:13:13:4 Dielectric Response of Arbitrary-Shaped Clusters Studied by the Finite Element Method
DOI:10.1080/00150193.2012.674435 JN:FERROELECTRICS PY:2012 TC:6 AU: Rychetsky, I.;Klic, A.;
7:13:13:5 Parametrization of the Permittivity of the Multi-Component (n >= 2) Composite
DOI:10.1080/00150193.2011.594010 JN:FERROELECTRICS PY:2011 TC:3 AU: Rychetsky, I.;Klic, A.;
7:13:14:1 Preparation of SrTiO3 nanomaterial by a sol-gel-hydrothermal method
DOI:10.1007/s10853-009-4099-y JN:JOURNAL OF MATERIALS SCIENCE PY:2010 TC:17 AU: Fuentes, S.;Zarate, R. A.;Chavez, E.;Munoz, P.;Diaz-Droguett, D.;Leyton, P.;
7:13:14:2 A novel solvothermal route for obtaining strontium titanate nanoparticles
DOI:10.1007/s11051-013-1525-5 JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2013 TC:1 AU: Marquez-Herrera, A.;Ovando-Medina, Victor M.;Corona-Rivera, Miguel A.;Hernandez-Rodriguez, E.;Zapata-Torres, M.;Campos-Gonzalez, E.;Guillen-Cervantes, A.;Zelaya-Angel, O.;Melendez-Lira, M.;
7:13:15:1 Sol-Gel Processing and Characterizations of a Ba0.75Sr0.25Ti 0.95Zr0.05O3 Ceramic
DOI:10.1111/j.1551-2916.2011.04646.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:6 AU: Chen, Ching-Fong;Reagor, David W.;Russell, Steven J.;Marksteiner, Quinn R.;Earley, Lawrence M.;Dalmas, Dale A.;Volz, Heather M.;Guidry, Dennis R.;Papin, Pallas A.;Yang, Pin;
7:13:15:2 Slip casting of sol-gel-synthesized barium strontium zirconium titanate ceramics
DOI:10.1007/s10853-013-7371-0 JN:JOURNAL OF MATERIALS SCIENCE PY:2013 TC:1 AU: Chen, Ching-Fong;Marksteiner, Quinn R.;King, Graham;Wynn, Thomas A.;Treiman, Michael B.;Dalmas, Dale A.;Llobet, Anna;Haynes, William B.;Guidry, Dennis R.;Papin, Pallas A.;
7:13:15:3 Lamination of magnesium oxide spacers to barium strontium zirconium titanate ceramics
DOI:10.1007/s10853-014-8238-8 JN:JOURNAL OF MATERIALS SCIENCE PY:2014 TC:1 AU: Chen, Ching-Fong;Marksteiner, Quinn R.;Reiten, Matthew R.;Wynn, Thomas A.;Guidry, Dennis R.;
7:14:1:1 Origin of superstructures in (double) perovskite thin films
DOI:10.1063/1.4895636 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Shabadi, V.;Major, M.;Komissinskiy, P.;Vafaee, M.;Radetinac, A.;Yazdi, M. Baghaie;Donner, W.;Alff, L.;
7:14:1:2 Ferrimagnetism and spontaneous ordering of transition metals in double perovskite La2CrFeO6 films
DOI:10.1103/PhysRevB.84.064436 JN:PHYSICAL REVIEW B PY:2011 TC:11 AU: Chakraverty, S.;Ohtomo, A.;Okuyama, D.;Saito, M.;Okude, M.;Kumai, R.;Arima, T.;Tokura, Y.;Tsukimoto, S.;Ikuhara, Y.;Kawasaki, M.;
7:14:1:3 Local electronic and magnetic studies of an artificial La2FeCrO6 double perovskite
DOI:10.1063/1.3455323 JN:APPLIED PHYSICS LETTERS PY:2010 TC:14 AU: Gray, Benjamin;Lee, Ho Nyung;Liu, Jian;Chakhalian, J.;Freeland, J. W.;
7:14:1:4 Spontaneous atomic ordering and magnetism in epitaxially stabilized double perovskites
DOI:10.1557/jmr.2012.438 JN:JOURNAL OF MATERIALS RESEARCH PY:2013 TC:8 AU: Ohtomo, Akira;Chakraverty, Suvankar;Mashiko, Hisanori;Oshima, Takayoshi;Kawasaki, Masashi;
7:14:1:5 Energetic stability and magnetic coupling in (Cr1-xFex)(2)O-3: Evidence for a ferrimagnetic ilmenite-type superlattice from first principles
DOI:10.1103/PhysRevB.83.214424 JN:PHYSICAL REVIEW B PY:2011 TC:15 AU: Nabi, Hasan Sadat;Pentcheva, Rossitza;
7:14:1:6 Atomistic geometry and bonding characteristics at the Sr2FeTaO6/SrTiO3 interface
DOI:10.1063/1.4809536 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Lv, Shuhui;Saito, Mitsuhiro;Wang, Zhongchang;Chakraverty, Suvankar;Kawasaki, Masashi;Ikuhara, Yuichi;
7:14:1:7 Magnetic and electronic properties of ordered double-perovskite La2VMnO6 thin films
DOI:10.1103/PhysRevB.84.132411 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Chakraverty, S.;Yoshimatsu, K.;Kozuka, Y.;Kumigashira, H.;Oshima, M.;Makino, T.;Ohtomo, A.;Kawasaki, M.;
7:14:1:8 Spontaneous B-site order and metallic ferrimagnetism in LaSrVMoO6 grown by pulsed laser deposition
DOI:10.1063/1.4809937 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Chakraverty, S.;Yu, X. Z.;Kawasaki, M.;Tokura, Y.;Hwang, H. Y.;
7:14:1:9 Band-gap narrowing in alpha-(CrxFe1-x)(2)O-3 solid-solution films
DOI:10.1063/1.3669704 JN:APPLIED PHYSICS LETTERS PY:2011 TC:13 AU: Mashiko, Hisanori;Oshima, Takayoshi;Ohtomo, Akira;
7:14:1:10 Atomic-scale structure and electronic property of the La2FeCrO6/SrTiO3 interface
DOI:10.1063/1.4821795 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Lv, Shuhui;Saito, Mitsuhiro;Wang, Zhongchang;Chen, Chunlin;Chakraverty, Suvankar;Kawasaki, Masashi;Ikuhara, Yuichi;
7:14:1:11 Magnetic properties of Sr2FeTaO6 double perovskite epitaxially grown by pulsed-laser deposition
DOI:10.1063/1.3663214 JN:APPLIED PHYSICS LETTERS PY:2011 TC:3 AU: Chakraverty, S.;Saito, M.;Tsukimoto, S.;Ikuhara, Y.;Ohtomo, A.;Kawasaki, M.;
7:14:1:12 Structural and Magnetic Study of Cu (x) FeCr1-x O-2 Oxides Under High External Magnetic Fields
DOI:10.1007/s11664-013-2513-3 JN:JOURNAL OF ELECTRONIC MATERIALS PY:2013 TC:2 AU: Ozkendir, Osman Murat;
7:14:1:13 Phase formation, phonon behavior, and magnetic properties of novel ferromagnetic La3BAlMnO9 (B=Co or Ni) triple perovskites
DOI:10.1063/1.3360352 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:1 AU: Singh, M. P.;Truong, K. D.;Jandl, S.;Fournier, P.;
7:14:1:14 Multiferroic properties of La-doped Bi2FeCrO6 prepared by high-pressure synthesis
DOI:10.1063/1.3670576 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:1 AU: Bai, Feiming;Shi, Lei;Zhang, Huaiwu;Zhong, Zhiyong;Wang, Wendan;He, Duanwei;
7:14:2:1 Evaluation of half-metallic antiferromagnetism in A(2)CrFeO(6) (A = La, Sr)
DOI:10.1103/PhysRevB.85.224404 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Lee, Kwan-Woo;Ahn, Kyo-Hoon;
7:14:2:2 Evaluation of compensated magnetism in La2VCuO6: Exploration of charge states
DOI:10.1103/PhysRevB.84.115134 JN:PHYSICAL REVIEW B PY:2011 TC:6 AU: Pardo, Victor;Pickett, Warren E.;
7:14:2:3 Compensated half-metallicity in the trigonally distorted perovskite NiCrO3
DOI:10.1103/PhysRevB.83.180406 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Lee, Kwan-Woo;Pickett, Warren E.;
7:14:2:4 Signature of an antiferromagnetic metallic ground state in heavily electron-doped Sr2FeMoO6
DOI:10.1103/PhysRevB.86.054433 JN:PHYSICAL REVIEW B PY:2012 TC:7 AU: Jana, Somnath;Meneghini, Carlo;Sanyal, Prabuddha;Sarkar, Soumyajit;Saha-Dasgupta, Tanusri;Karis, Olof;Ray, Sugata;
7:14:2:5 Half-metallic ferrimagnetism driven by Coulomb-enhanced spin-orbit coupling in PdCrO3
DOI:10.1103/PhysRevB.84.172405 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Jin, Hyo-Sun;Lee, Kwan-Woo;
7:14:2:6 Atomic-scale chemical fluctuation in LaSrVMoO6, a proposed half-metallic antiferromagnet
DOI:10.1103/PhysRevB.82.180407 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Jana, Somnath;Singh, Vijay;Kaushik, S. D.;Meneghini, Carlo;Pal, Prabir;Knut, Ronny;Karis, Olof;Dasgupta, Indra;Siruguri, Vasudeva;Ray, Sugata;
7:14:2:7 Investigation of possible half-metallic antiferromagnets on double perovskites LaABB ' O-6 (A=Ca, Sr, Ba; B, B '=transition elements)
DOI:10.1063/1.3488642 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:11 AU: Chen, S. H.;Xiao, Z. R.;Liu, Y. P.;Wang, Y. K.;
7:14:2:8 Ni6Cr5MoO18: A compensated half metal predicted from first-principles
DOI:10.1063/1.4789351 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Wang, Jing;Zu, Ningning;Solovyev, Igor V.;Wu, Zhijian;
7:14:2:9 Half metal to insulator transition driven by electron doping in Ba2FeReO6
DOI:10.1016/j.jmmm.2013.03.016 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:1 AU: Wang, J.;Zu, N. N.;Wang, Y.;Wu, Z. J.;
7:14:2:10 LaSrVMoO6: A case study for A-site covalency-driven local cationic order in double perovskites
DOI:10.1103/PhysRevB.86.014203 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Jana, Somnath;Singh, Vijay;Nag, Abhishek;Meneghini, Carlo;Dasgupta, Indra;Aquilanti, Giuliana;Ray, Sugata;
7:14:2:11 Molten-Salt-Mediated Syntheses of Sr2FeReO6, Ba2FeReO6, and Sr2CrReO6: Particle Sizes, B/B ' Site Disorder, and Magnetic Properties
DOI:10.1021/cm202545z JN:CHEMISTRY OF MATERIALS PY:2011 TC:9 AU: Fuoco, Lindsay;Rodriguez, Dianny;Peppel, Tim;Maggard, Paul A.;
7:14:2:12 Half metallic character of NiMoO3 driven by the electron correlation and spin-orbit coupling
DOI:10.1063/1.4739847 JN:APPLIED PHYSICS LETTERS PY:2012 TC:0 AU: Wang, J.;Wu, Z. J.;
7:14:2:13 First-principle calculation on nearly half-metallic antiferromagnetic behavior of double perovskites La2VReO6
DOI:10.1016/j.jmmm.2010.08.059 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:3 AU: Chen, S. H.;Xiao, Z. R.;Liu, Y. P.;Lee, P. H.;Wang, Y. K.;
7:14:2:14 The influence of the M (3d) replacement on structural, electronic and magnetic properties of Nb-based double perovskite Ba2MNbO6 (M = Sc, Ti, V and Cr): From FP-LMTO studies
DOI:10.1016/j.commatsci.2013.10.009 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2014 TC:0 AU: H.-E., M. Musa Saad;
7:14:2:15 Electronic structures of compensated magnetism in double perovskites A(2)CrRu(Os) O-6 (A = Si, Ge, Sn, and Pb) from ab initio calculations
DOI:10.1016/j.jallcom.2012.08.066 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:0 AU: Fuh, Huei-Ru;Liu, Yun-Ping;Chen, Shao-Hua;Wang, Yin-Kuo;
7:14:3:1 Surface magnetism, Morin transition, and magnetic dynamics in antiferromagnetic alpha-Fe2O3 (hematite) nanograins
DOI:10.1063/1.3327433 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:36 AU: Bhowmik, R. N.;Saravanan, A.;
7:14:3:2 Structural characterization and ferromagnetic properties in Ga3+ doped alpha-Fe2O3 system prepared by coprecipitation route and vacuum annealing
DOI:10.1063/1.4896482 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:4 AU: Bhowmik, R. N.;Vijayasri, G.;Ranganathan, R.;
7:14:3:3 Magnetic, dielectric and photo-absorption study of a ferromagnetic semiconductor alpha-Fe1.4Ga0.6O3
DOI:10.1063/1.3624734 JN:AIP ADVANCES PY:2011 TC:8 AU: Naresh, N.;Bhowmik, R. N.;
7:14:3:4 Study of surface magnetism, exchange bias effect, and enhanced ferromagnetism in alpha-Fe1.4Ti0.6O3 alloy
DOI:10.1063/1.3585663 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Naresh, N.;Bhowmik, R. N.;Ghosh, B.;Banerjee, S.;
7:14:3:5 Synthesis and microstructural properties of alpha-Fe1-xGaxOOH solid solutions
DOI:10.1016/j.jallcom.2013.07.076 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:4 AU: Krehula, Stjepko;Krehula, Ljerka Kratofil;Music, Svetozar;
7:14:3:6 Band gap and function engineering for novel functional alloy semiconductors: Bloomed as magnetic properties at room temperature with alpha-(GaFe)(2)O-3
DOI:10.1063/1.4807651 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:13 AU: Kaneko, Kentaro;Kakeya, Itsuhiro;Komori, Sachio;Fujita, Shizuo;
7:14:3:7 Atomistic structure and energetics of interface between Mn-doped gamma-Ga2O3 and MgAl2O4
DOI:10.1007/s10853-011-5313-2 JN:JOURNAL OF MATERIALS SCIENCE PY:2011 TC:2 AU: Hayashi, Hiroyuki;Huang, Rong;Oba, Fumiyasu;Hirayama, Tsukasa;Tanaka, Isao;
7:14:4:1 Magnetization jumps and exchange bias induced by a partially disordered antiferromagnetic state in (FeTiO3)(0.9)-(Fe2O3)(0.1)
DOI:10.1063/1.4881527 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Song, P.;Li, G. K.;Ma, L.;Zhen, C. M.;Hou, D. L.;Wang, W. H.;Liu, E. K.;Chen, J. L.;Wu, G. H.;
7:14:4:2 Magnetic clusters in ilmenite-hematite solid solutions
DOI:10.1103/PhysRevB.81.224423 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Frandsen, C.;Burton, B. P.;Rasmussen, H. K.;McEnroe, S. A.;Morup, S.;
7:14:4:3 Slow dynamics and field-induced transitions in a mixed-valence oxide solid solution
DOI:10.1103/PhysRevB.83.224414 JN:PHYSICAL REVIEW B PY:2011 TC:9 AU: Charilaou, M.;Loeffler, J. F.;Gehring, A. U.;
7:14:4:4 Interaction-Induced Partitioning and Magnetization Jumps in the Mixed-Spin Oxide FeTiO3-Fe2O3
DOI:10.1103/PhysRevLett.107.057202 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:5 AU: Charilaou, M.;Sahu, K. K.;Zhao, S.;Loeffler, J. F.;Gehring, A. U.;
7:14:4:5 Steep energy landscapes and adjustable magnetization states in a four-layer mean-field model with competing interactions
DOI:10.1103/PhysRevB.86.104415 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Charilaou, M.;Sahu, K. K.;Gehring, A. U.;Loeffler, J. F.;
7:14:4:6 Large spontaneous magnetostriction in FeTiO3 and adjustable magnetic configuration in Fe(III)-doped FeTiO3
DOI:10.1103/PhysRevB.86.024439 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Charilaou, M.;Sheptyakov, D.;Loeffler, J. F.;Gehring, A. U.;
7:14:4:7 Monte Carlo study of partitioning mechanisms in mixed-spin Ising systems
DOI:10.1103/PhysRevB.84.224434 JN:PHYSICAL REVIEW B PY:2011 TC:1 AU: Charilaou, M.;Sahu, K. K.;Gehring, A. U.;Loeffler, J. F.;
7:14:5:1 Effect of high-pressure on the electronic and magnetic properties in double perovskite oxide Sr2FeMoO6
DOI:10.1063/1.4768195 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Qian, Yan;Wu, Haiping;Lu, Ruifeng;Tan, Weishi;Xiao, Chuanyun;Deng, Kaiming;
7:14:5:2 S doping effect on the properties of double perovskite La2FeMoO6
DOI:10.1063/1.3697675 JN:APPLIED PHYSICS LETTERS PY:2012 TC:7 AU: Wu, Haiping;Lu, Ruifeng;Tan, Weishi;Xiao, Chuanyun;Deng, Kaiming;Qian, Yan;
7:14:5:3 Biaxial strain effect on the electronic and magnetic phase transitions in double perovskite La2FeMnO6: A first-principles study
DOI:10.1063/1.4818321 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Qian, Yan;Wu, Haiping;Kan, ErJun;Lu, Jian;Lu, Ruifeng;Liu, Yuzhen;Tan, Weishi;Xiao, Chuanyun;Deng, Kaiming;
7:14:5:4 The theoretical search for half-metallic material: The non-stoichiometric peroskite oxide Sr2FeCoO6-delta
DOI:10.1063/1.3644493 JN:APPLIED PHYSICS LETTERS PY:2011 TC:9 AU: Wu, Haiping;Qian, Yan;Tan, Weishi;Xiao, Chuanyun;Deng, Kaiming;Lu, Ruifeng;
7:14:5:5 Disorder induced magnetism and electrical conduction in La doped Ca2FeMoO6 double perovskite
DOI:10.1063/1.3510495 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:5 AU: Poddar, Asok;Bhowmik, R. N.;Muthuselvam, I. Panneer;
7:14:5:6 Disorder effect on the electronic and magnetic properties of Sr2FeCoO6: A density-functional theoretical investigation
DOI:10.1063/1.3653238 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Wu, Haiping;Wang, Lili;Qian, Yan;Tan, Weishi;Xiao, Chuanyun;Deng, Kaiming;
7:14:5:7 Enhanced ferromagnetism in nano-sized Zn0.95Mn0.05O grains
DOI:10.1016/j.jmmm.2010.02.035 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:4 AU: Bhowmik, R. N.;Poddar, Asok;Saravanan, A.;
7:14:6:1 Ferrimagnetism and possible double perovskite structure in half Cr-doped YMn0.5Cr0.5O3
DOI:10.1016/j.jallcom.2013.03.166 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:9 AU: Yang, Lei;Duanmu, Qingyong;Hao, Lin;Zhang, Zhongfeng;Wang, Xiaoping;Wei, Yiyong;Zhu, Hong;
7:14:6:2 Double-perovskite multiferroic Bi2FeCrO6 polycrystalline thin film: The structural, multiferroic, and ferroelectric domain properties
DOI:10.1016/j.jallcom.2012.11.187 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:11 AU: Sha, L.;Miao, J.;Wu, S. Z.;Xu, X. G.;Jiang, Y.;Qiao, L. J.;
7:14:6:3 Pressure induced semiconductor to half metal transition in Sr2NiReO6
DOI:10.1063/1.4826906 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Wang, Jing;Sun, Xiaobo;Zu, Ningning;Wu, Zhijian;
7:14:6:4 Layered B-site cation ordering: A key factor in ferrimagnetism of Y(2)MnCrO6
DOI:10.1016/j.jallcom.2014.02.119 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Hao, Lin;Yang, Lei;Lee, Ming-Hsien;Lin, Tseh-Hsing;Zhang, ZhongFeng;Xie, XiangNan;Zhu, Hong;
7:14:6:5 First-principles study of a pressure-induced spin transition in multiferroic Bi2FeCrO6
DOI:10.1103/PhysRevB.86.024415 JN:PHYSICAL REVIEW B PY:2012 TC:4 AU: Goffinet, Marco;Iniguez, Jorge;Ghosez, Philippe;
7:14:7:1 Investigation of high quality magnetite thin films grown on SrTiO3(001) substrates by pulsed laser deposition
DOI:10.1016/j.tsf.2012.10.076 JN:THIN SOLID FILMS PY:2012 TC:9 AU: Hamie, A.;Dumont, Y.;Popova, E.;Fouchet, A.;Warot-Fonrose, B.;Gatel, C.;Chikoidze, E.;Scola, J.;Berini, B.;Keller, N.;
7:14:7:2 Stoichiometric magnetite grown by infrared nanosecond pulsed laser deposition
DOI:10.1016/j.apsusc.2013.06.026 JN:APPLIED SURFACE SCIENCE PY:2013 TC:4 AU: Sanz, Mikel;Oujja, Mohamed;Rebollar, Esther;Marco, Jose F.;de la Figuera, Juan;Monti, Matteo;Bollero, Alberto;Camarero, Julio;Pedrosa, Francisco J.;Garcia-Hernandez, Mar;Castillejo, Marta;
7:14:7:3 Magnetic force microscopy of epitaxial magnetite films through the Verwey transition
DOI:10.1063/1.3502606 JN:APPLIED PHYSICS LETTERS PY:2010 TC:3 AU: Lee, A. K. H.;Jayathilaka, P. B.;Bauer, C. A.;Monti, M. C.;Markert, J. T.;de Lozanne, A.;Miller, Casey W.;
7:14:7:4 Room temperature in-plane (100) magnetic easy axis for Fe3O4/SrTiO3(001):Nb grown by infrared pulsed laser deposition
DOI:10.1063/1.4837656 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Monti, Matteo;Sanz, Mikel;Oujja, Mohamed;Rebollar, Esther;Castillejo, Marta;Pedrosa, Francisco J.;Bollero, Alberto;Camarero, Julio;Cunado, Jose Luis F.;Nemes, Norbert M.;Mompean, Federico J.;Garcia-Hernandez, Mar;Nie, Shu;McCarty, Kevin F.;N'Diaye, Alpha T.;Chen, Gong;Schmid, Andreas K.;Marco, Jose F.;de la Figuera, Juan;
7:14:7:5 Selective growth of pure magnetite thin films and/or nanowires grown in situ at a low temperature by pulsed laser deposition
DOI:10.1039/c2tc00672c JN:JOURNAL OF MATERIALS CHEMISTRY C PY:2013 TC:5 AU: Yun, Jong-Gu;Lee, Young-Mi;Lee, Won-Jae;Kim, Chang-Soo;Yoon, Soon-Gil;
7:14:7:6 Gold coating of micromechanical DNA biosensors by pulsed laser deposition
DOI:10.1063/1.4761986 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:0 AU: Rebollar, Esther;Sanz, Mikel;Esteves, Carina;Martinez, Nicolas F.;Ahumada, Oscar;Castillejo, Marta;
7:14:7:7 Laser ablation and deposition of wide bandgap semiconductors: plasma and nanostructure of deposits diagnosis
DOI:10.1007/s11051-011-0570-1 JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2011 TC:8 AU: Sanz, M.;Lopez-Arias, M.;Rebollar, E.;de Nalda, R.;Castillejo, M.;
7:14:7:8 Impact of ultrathin transition metal buffer layers on Fe3O4 thin films
DOI:10.1063/1.3350910 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Jayathilaka, P. B.;Bauer, C. A.;Williams, D. V.;Monti, M. C.;Markert, J. T.;Miller, Casey W.;
7:14:8:1 Direct Evidence of Fe2+-Fe3+ Charge Ordering in the Ferrimagnetic Hematite-Ilmenite Fe1.35Ti0.65O3-delta Thin Films
DOI:10.1103/PhysRevLett.111.167202 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:3 AU: Bocher, L.;Popova, E.;Nolan, M.;Gloter, A.;Chikoidze, E.;March, K.;Warot-Fonrose, B.;Berini, B.;Stephan, O.;Keller, N.;Dumont, Y.;
7:14:8:2 Epitaxial growth of the high temperature ferromagnetic semiconductor Fe1.5Ti0.5O3 on silicon-compatible substrate
DOI:10.1063/1.3595271 JN:APPLIED PHYSICS LETTERS PY:2011 TC:6 AU: Hamie, Ali;Popova, Elena;Dumont, Yves;Chikoidze, Ekaterina;Warot-Fonrose, Benedicte;Berini, Bruno;Keller, Niels;
7:14:8:3 Conductivity type inversion in wide band gap antiferromagnetic FeTiO3
DOI:10.1063/1.4798537 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Chikoidze, E.;Tchelidze, T.;Popova, E.;Maso, P.;Ponjavidze, N.;Keller, N.;Dumont, Y.;
7:14:8:4 Magnetic structures of FeTiO3-Fe2O3 solid solution thin films studied by soft X-ray magnetic circular dichroism and ab initio multiplet calculations
DOI:10.1063/1.4868638 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Hojo, H.;Fujita, K.;Ikeno, H.;Matoba, T.;Mizoguchi, T.;Tanaka, I.;Nakamura, T.;Takeda, Y.;Okane, T.;Tanaka, K.;
7:14:8:5 Structural, optical, and magnetic properties of the ferromagnetic semiconductor hematite-ilmenite Fe(2-x)TixO(3-delta) thin films on SrTiO3(001) prepared by pulsed laser deposition
DOI:10.1063/1.3501104 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:3 AU: Hamie, A.;Dumont, Y.;Popova, E.;Scola, J.;Fouchet, A.;Berini, B.;Keller, N.;
7:14:9:1 Synthesis and properties of iridium-doped hematite (alpha-Fe2O3)
DOI:10.1016/j.jallcom.2012.08.009 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:6 AU: Krehula, Stjepko;Stefanic, Goran;Zadro, Kreso;Krehula, Ljerka Kratofil;Marcius, Marijan;Music, Svetozar;
7:14:9:2 IrFeOx/SiO2-A highly active catalyst for preferential CO oxidation in H-2
DOI:10.1016/j.ijhydene.2009.07.016 JN:INTERNATIONAL JOURNAL OF HYDROGEN ENERGY PY:2010 TC:18 AU: Zhang, Wansheng;Huang, Yanqiang;Wang, Junhu;Liu, Kuo;Wang, Xiaodong;Wang, Aiqin;Zhang, Tao;
7:14:9:3 The effect of iridium(III) ions on the formation of iron oxides in a highly alkaline medium
DOI:10.1016/j.jallcom.2011.12.052 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:4 AU: Krehula, Stjepko;Music, Svetozar;
7:14:9:4 Development of porous alpha-Fe2O3 microstructure by forced hydrolysis of FeCl3 solutions in the presence of AOT
DOI:10.1016/j.jallcom.2012.04.011 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:5 AU: Stajdohar, Jasenka;Ristic, Mira;Music, Svetozar;
7:14:9:5 Growth of uniform lath-like alpha-(Fe,Al)OOH and disc-like alpha-(Fe,Al)(2)O-3 nanoparticles in a highly alkaline medium
DOI:10.1016/j.matchemphys.2010.03.063 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2010 TC:4 AU: Krehula, Stjepko;Music, Svetozar;
7:14:9:6 Novel highly efficient alumina-supported cobalt nitride catalyst for preferential CO oxidation at high temperatures
DOI:10.1016/j.ijhydene.2010.11.082 JN:INTERNATIONAL JOURNAL OF HYDROGEN ENERGY PY:2011 TC:9 AU: Yao, Zhiwei;Zhang, Xiaohong;Peng, Feng;Yu, Hao;Wang, Hongjuan;Yang, Jian;
7:14:10:1 How does spacer length of imidazolium gemini surfactants control the fabrication of 2D-Langmuir films of silver-nanoparticles at the air-water interface?
DOI:10.1016/j.jcis.2014.05.018 JN:JOURNAL OF COLLOID AND INTERFACE SCIENCE PY:2014 TC:6 AU: Datta, Sougata;Biswas, Joydeep;Bhattacharya, Santanu;
7:14:10:2 Fe t(2g) band dispersion and spin polarization in thin films of Fe3O4(001)/MgO(001): Half-metallicity of magnetite revisited
DOI:10.1103/PhysRevB.87.085118 JN:PHYSICAL REVIEW B PY:2013 TC:5 AU: Wang, W.;Mariot, J. -M.;Richter, M. C.;Heckmann, O.;Ndiaye, W.;De Padova, P.;Taleb-Ibrahimi, A.;Le Fevre, P.;Bertran, F.;Bondino, F.;Magnano, E.;Krempasky, J.;Blaha, P.;Cacho, C.;Parmigiani, F.;Hricovini, K.;
7:14:10:3 Fe3O4/gamma-Fe2O3 Nanoparticle Multilayers Deposited by the Langmuir-Blodgett Technique for Gas Sensors Application
DOI:10.1021/la404542u JN:LANGMUIR PY:2014 TC:11 AU: Capone, S.;Manera, M. G.;Taurino, A.;Siciliano, P.;Rella, R.;Luby, S.;Benkovicova, M.;Siffalovic, P.;Majkova, E.;
7:14:10:4 Temperature dependent dendritic domain shapes in Langmuir monolayers of tetradecanoyl N-ethanolamide at the air-water interface
DOI:10.1016/j.jcis.2010.09.038 JN:JOURNAL OF COLLOID AND INTERFACE SCIENCE PY:2011 TC:4 AU: Hossain, Md. Mufazzal;Iimura, Kenichi;Yoshida, Masaki;Kato, Teiji;
7:14:10:5 Enhanced Optical and Nonlinear Optical Responses in a Polyelectrolyte Templated Langmuir-Blodgett Film
DOI:10.1021/la104078g JN:LANGMUIR PY:2011 TC:3 AU: Rajesh, K.;Balaswamy, B.;Yamamoto, K.;Yamaki, H.;Kawamata, J.;Radhakrishnan, T. P.;
7:14:10:6 Effect of head groups on the phase transitions in Gibbs adsorption layers at the air-water interface
DOI:10.1016/j.jcis.2010.04.007 JN:JOURNAL OF COLLOID AND INTERFACE SCIENCE PY:2010 TC:2 AU: Hossain, Md. Mufazzal;Iimura, Kenichi;Yoshida, Masaki;Sakai, Takaya;Kato, Teiji;
7:14:11:1 Microwave-assisted preparation of submicron-sized FeTiO3 powders
DOI:10.1016/j.ceramint.2013.11.142 JN:CERAMICS INTERNATIONAL PY:2014 TC:3 AU: Ru, Juanjian;Hua, Yixin;Xu, Cunying;Li, Jian;Li, Yan;Wang, Ding;Gong, Kai;Wang, Rui;Zhou, Zhongren;
7:14:11:2 Nano-ilmenite FeTiO3: Synthesis and characterization
DOI:10.1016/j.jmmm.2012.11.028 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:7 AU: Raghavender, A. T.;Nguyen Hoa Hong;Lee, Kyu Joon;Jung, Myung-Hwa;Skoko, Z.;Vasilevskiy, M.;Cerqueira, M. F.;Samantilleke, A. P.;
7:14:11:3 Influence of cation disorder on the magnetic properties of ball-milled ilmenite (FeTiO3)
DOI:10.1016/j.matchemphys.2012.06.050 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:1 AU: Morup, Steen;Rasmussen, Helge K.;Brok, Erik;Keller, Lukas;Frandsen, Cathrine;
7:14:11:4 Novel mechanochemical synthesis of fine FeTiO3 nanoparticles by a high-speed ball-milling process
DOI:10.1016/j.jallcom.2010.05.090 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:8 AU: Ohara, Satoshi;Sato, Kazuyoshi;Tan, Zhenquan;Shimoda, Hirofumi;Ueda, Masami;Fukui, Takehisa;
7:14:11:5 Synthesis, characterization and dye adsorption of ilmenite nanoparticles
DOI:10.1016/j.jnoncrysol.2010.09.070 JN:JOURNAL OF NON-CRYSTALLINE SOLIDS PY:2011 TC:20 AU: Chen, Y. H.;
7:14:11:6 Synthesis of ferromagnetic semiconductor 0.67FeTiO(3)-0.33Fe(2)O(3) powder by chemical co-precipitation
DOI:10.1016/j.jmmm.2009.11.011 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:4 AU: Yan, Shiming;Ge, Shihui;Qiao, Wen;Zuo, Yalu;
7:14:12:1 Magnetic coupling parameters at an oxide-oxide interface from first principles: Fe2O3-FeTiO3
DOI:10.1103/PhysRevB.81.214432 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Nabi, Hasan Sadat;Harrison, Richard J.;Pentcheva, Rossitza;
7:14:12:2 Spin states of iron impurities in magnesium oxide under pressure: A possible intermediate state
DOI:10.1103/PhysRevB.87.165113 JN:PHYSICAL REVIEW B PY:2013 TC:0 AU: Larico, R.;Assali, L. V. C.;Justo, J. F.;
7:14:12:3 Impact of excess iron on the calculated electronic and magnetic properties of gallium ferrite
DOI:10.1103/PhysRevB.85.174411 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Ibrahim, F.;Alouani, M.;
7:14:12:4 First principles study of the spontaneous electric polarization in Ga2-xFexO3
DOI:10.1016/j.tsf.2012.10.138 JN:THIN SOLID FILMS PY:2013 TC:1 AU: Stoeffler, Daniel;
7:14:13:1 Magnetoelectric spintronics
DOI:10.1063/1.4811823 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:7 AU: Kleemann, W.;
7:14:13:2 Effect of lattice deformation on exchange coupling constants in Cr2O3
DOI:10.1063/1.4865780 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Kota, Yohei;Imamura, Hiroshi;Sasaki, Munetaka;
7:14:13:3 Exchange bias and coercivity of Ni80Fe20 layer coupled with Fe-doped Cr2O3
DOI:10.1063/1.3340508 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:1 AU: Ki, Sanghoon;Dho, Joonghoe;
7:14:14:1 (Sr1-xBax)FeO2 (0.4 <= x <= 1): A New Oxygen-Deficient Perovskite Structure
DOI:10.1021/ja3007403 JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2012 TC:6 AU: Yamamoto, Takafumi;Kobayashi, Yoji;Hayashi, Naoaki;Tassel, Cedric;Saito, Takashi;Yamanaka, Shoji;Takano, Mikio;Ohoyama, Kenji;Shimakawa, Yuichi;Yoshimura, Kazuyoshi;Kageyama, Hiroshi;
7:14:14:2 Random fan-out state induced by site-random interlayer couplings
DOI:10.1103/PhysRevB.84.214408 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Tamura, Ryo;Kawashima, Naoki;Yamamoto, Takafumi;Tassel, Cedric;Kageyama, Hiroshi;
7:14:14:3 Pressure-Induced Structural, Magnetic, and Transport Transitions in the Two-Legged Ladder Sr3Fe2O5
DOI:10.1021/ja200410z JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2011 TC:8 AU: Yamamoto, Takafumi;Tassel, Cedric;Kobayashi, Yoji;Kawakami, Takateru;Okada, Taku;Yagi, Takehiko;Yoshida, Hideto;Kamatani, Takanori;Watanabe, Yoshitaka;Kikegawa, Takumi;Takano, Mikio;Yoshimura, Kazuyoshi;Kageyama, Hiroshi;
7:15:1:1 Metal-insulator transition and the Pr3+/Pr4+ valence shift in (Pr1-yYy)(0.7)Ca0.3CoO3
DOI:10.1103/PhysRevB.82.165107 JN:PHYSICAL REVIEW B PY:2010 TC:24 AU: Hejtmanek, J.;Santava, E.;Knizek, K.;Marysko, M.;Jirak, Z.;Naito, T.;Sasaki, H.;Fujishiro, H.;
7:15:1:2 Magnetically inhomogeneous ground state below the first-order valence transition in (Pr1-yYy)(0.7)Ca0.3CoO3-delta
DOI:10.1103/PhysRevB.89.184427 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Phelan, D.;Bhatti, Kanwal Preet;Taylor, M.;Wang, Shun;Leighton, C.;
7:15:1:3 Valence change of praseodymium in Pr0.5Ca0.5CoO3 investigated by x-ray absorption spectroscopy
DOI:10.1103/PhysRevB.84.115131 JN:PHYSICAL REVIEW B PY:2011 TC:17 AU: Herrero-Martin, J.;Garcia-Munoz, J. L.;Valencia, S.;Frontera, C.;Blasco, J.;Baron-Gonzalez, A. J.;Subias, G.;Abrudan, R.;Radu, F.;Dudzik, E.;Feyerherm, R.;
7:15:1:4 Valence transition in (Pr,Ca)CoO3 cobaltites: Charge migration at the metal-insulator transition
DOI:10.1103/PhysRevB.84.045104 JN:PHYSICAL REVIEW B PY:2011 TC:20 AU: Luis Garcia-Munoz, Jose;Frontera, Carlos;Baron-Gonzalez, Aura J.;Valencia, Sergio;Blasco, Javier;Feyerherm, Ralf;Dudzik, Esther;Abrudan, Radu;Radu, Florin;
7:15:1:5 Coupled valence and spin state transition in (Pr0.7Sm0.3)(0.7)Ca0.3CoO3
DOI:10.1103/PhysRevB.87.115114 JN:PHYSICAL REVIEW B PY:2013 TC:8 AU: Guillou, F.;Zhang, Q.;Hu, Z.;Kuo, C. Y.;Chin, Y. Y.;Lin, H. J.;Chen, C. T.;Tanaka, A.;Tjeng, L. H.;Hardy, V.;
7:15:1:6 Charge transfer, valence, and the metal-insulator transition in Pr0.5Ca0.5CoO3
DOI:10.1103/PhysRevB.81.155113 JN:PHYSICAL REVIEW B PY:2010 TC:27 AU: Knizek, K.;Hejtmanek, J.;Novak, P.;Jirak, Z.;
7:15:1:7 Spin-state transition in Pr0.5Ca0.5CoO3 analyzed by x-ray absorption and emission spectroscopies
DOI:10.1103/PhysRevB.86.125106 JN:PHYSICAL REVIEW B PY:2012 TC:12 AU: Herrero-Martin, J.;Garcia-Munoz, J. L.;Kvashnina, K.;Gallo, E.;Subias, G.;Alonso, J. A.;Baron-Gonzalez, A. J.;
7:15:1:8 Role of A-site cations in the metal-insulator transition in Pr0.5Ca0.5CoO3-gamma (gamma approximate to 0)
DOI:10.1103/PhysRevB.81.054427 JN:PHYSICAL REVIEW B PY:2010 TC:20 AU: Baron-Gonzalez, A. J.;Frontera, C.;Garcia-Munoz, J. L.;Blasco, J.;Ritter, C.;
7:15:1:9 Evolution of spin and valence states of (Pr0.7Sm0.3)(0.7)Ca0.3CoO3 at high temperature and high pressure
DOI:10.1103/PhysRevB.90.035107 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Chen, J. M.;Lee, J. M.;Haw, S. C.;Chen, S. A.;Hardy, V.;Guillou, F.;Chen, S. W.;Kuo, C. Y.;Pao, C. W.;Lee, J. F.;Hiraoka, N.;Ishii, H.;Tsuei, K. D.;Hu, Z.;
7:15:1:10 Structural, transport, and magnetic properties of narrow bandwidth Nd1-xCaxCoO3-delta and comparisons to Pr1-xCaxCoO3-delta
DOI:10.1103/PhysRevB.88.075119 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Phelan, D.;Suzuki, Y.;Wang, S.;Huq, A.;Leighton, C.;
7:15:1:11 Simultaneous valence shift of Pr and Tb ions at the spin-state transition in (Pr1-yTby)(0.7)Ca0.3CoO3
DOI:10.1103/PhysRevB.87.155153 JN:PHYSICAL REVIEW B PY:2013 TC:4 AU: Fujishiro, H.;Naito, T.;Takeda, D.;Yoshida, N.;Watanabe, T.;Nitta, K.;Hejtmanek, J.;Knizek, K.;Jirak, Z.;
7:15:1:12 Suppression of the metal-insulator transition by magnetic field in (Pr1-yYy)(0.7)Ca0.3CoO3 (y=0.0625)
DOI:10.1063/1.4884435 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Naito, Tomoyuki;Fujishiro, Hiroyuki;Nishizaki, Terukazu;Kobayashi, Norio;Hejtmanek, Jiri;Knizek, Karel;Jirak, Zdenek;
7:15:1:13 Spontaneous formation of an exchange-spring composite via magnetic phase separation in Pr1-xCaxCoO3
DOI:10.1103/PhysRevB.82.100411 JN:PHYSICAL REVIEW B PY:2010 TC:13 AU: El-Khatib, S.;Bose, Shameek;He, C.;Kuplic, J.;Laver, M.;Borchers, J. A.;Huang, Q.;Lynn, J. W.;Mitchell, J. F.;Leighton, C.;
7:15:1:14 The low temperature magnetostructural transition in Pr0.50Sr0.50CoO3: Bulk versus thin film behavior
DOI:10.1063/1.4865465 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Padilla-Pantoja, J.;Herrero-Martin, J.;Torrelles, X.;Bozzo, B.;Blasco, J.;Ritter, C.;Garcia-Munoz, J. L.;
7:15:1:15 Glassy ferromagnetism and phase separation in Pr0.5Ca0.5CoO3
DOI:10.1063/1.3671435 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Marysko, M.;Jirak, Z.;Hejtmanek, J.;Knizek, K.;
7:15:1:16 Transition from the diamagnetic insulator to ferromagnetic metal in La1-xSrxCoO3
DOI:10.1016/j.jmmm.2009.04.031 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:8 AU: Knizek, Karel;Jirak, Zdenek;Hejtmanek, Jiri;Novak, Pavel;
7:15:1:17 Thermally and field-driven spin-state transitions in (Pr1-yYy)(0.7)Ca0.3CoO3
DOI:10.1063/1.3559485 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Marysko, M.;Jirak, Z.;Knizek, K.;Novak, P.;Hejtmanek, J.;Naito, T.;Sasaki, H.;Fujishiro, H.;
7:15:1:18 Local orbital occupation and energy levels of Co in NaxCoO2: A soft x-ray absorption study
DOI:10.1103/PhysRevB.81.115138 JN:PHYSICAL REVIEW B PY:2010 TC:5 AU: Lin, H. -J.;Chin, Y. Y.;Hu, Z.;Shu, G. J.;Chou, F. C.;Ohta, H.;Yoshimura, K.;Hebert, S.;Maignan, A.;Tanaka, A.;Tjeng, L. H.;Chen, C. T.;
7:15:1:19 Determination of the Co Valence in Bilayer Hydrated Superconducting NaxCoO2 center dot yH(2)O by Soft X-Ray Absorption Spectroscopy
DOI:10.1103/PhysRevLett.107.066404 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:3 AU: Ohta, H.;Yoshimura, K.;Hu, Z.;Chin, Y. Y.;Lin, H. -J.;Hsieh, H. H.;Chen, C. T.;Tjeng, L. H.;
7:15:1:20 Phase diagram and isotope effect in (Pr1-yEuy)(0.7)Ca0.3CoO3 cobaltites exhibiting spin-state transitions
DOI:10.1103/PhysRevB.81.134427 JN:PHYSICAL REVIEW B PY:2010 TC:9 AU: Kalinov, A. V.;Gorbenko, O. Yu.;Taldenkov, A. N.;Rohrkamp, J.;Heyer, O.;Jodlauk, S.;Babushkina, N. A.;Fisher, L. M.;Kaul, A. R.;Kamenev, A. A.;Kuzmova, T. G.;Khomskii, D. I.;Kugel, K. I.;Lorenz, T.;
7:15:1:21 Spin-state crossover and low-temperature magnetic state in yttrium-doped Pr0.7Ca0.3CoO3
DOI:10.1103/PhysRevB.88.224412 JN:Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; Rodriguez Fernandez, Jesus/L-7960-2014;Morellon, Luis/0000-0003-3724-508X; Marcano Aguado,;Noelia/0000-0002-5331-9758; PY:100 TC:arabel, Pedro/0000-0002-4698-3378;;Ibarra, Manuel Ricardo/0000-0003-0681-8260;;0;0;0;0;0;1098-0121;WOS:000332161300004;;;J;Minar, Jiri;Gremaud, Benoit;From antiferromagnetic ordering to magnetic textures in the;two-dimensional Fermi-Hubbard model with synthetic spin-orbit;interactions;PHYSICAL REVIEW B;88;23;235130;10.1103/PhysRevB.88.235130;DEC 30 2013;2013;We study the interacting Fermi-Hubbard model in two spatial dimensions;with synthetic gauge coupling of the spin-orbit Rashba type, at;half-filling. Using real-space mean-field theory, we numerically;determine the phase as a function of the interaction strength for;different values of the gauge-field parameter. For a fixed value of the;gauge field, we observe that when the strength of the repulsive;interaction is increased, the system enters into an antiferromagnetic;phase, then undergoes a first-order phase transition to a noncollinear;magnetic phase. Depending on the gauge-field parameter, this phase;further evolves to the one predicted from the effective Heisenberg model;obtained in the limit of large interaction strength. We explain the;presence of the antiferromagnetic phase at small interaction from the;computation of the spin-spin susceptibility, which displays a divergence;at low temperatures for the antiferromagnetic ordering. We discuss, how;the divergence is related to the nature of the underlying Fermi;surfaces. Finally, the fact that the first-order phase transitions for;different gauge-field parameters occur at unrelated critical interaction;strengths arises from a Hofstadter-like situation, i.e., for different;magnetic phases, the mean-field Hamiltonians have different;translational symmetries.;1;0;0;0;1;1098-0121;WOS:000332163500001;;;J;Rochal, S. B.;Lorman, V. L.;Yuzyuk, Yu. I.;Two-dimensional elasticity determines the low-frequency dynamics of;single-and double-walled carbon nanotubes;PHYSICAL REVIEW B;88;23;235435;10.1103/PhysRevB.88.235435;DEC 30 2013;2013;We develop a continuous theory of low-frequency dynamics for nanotubes;with walls constituted by singleatom monolayer, the topological;elasticity of which is not related to its vanishing macroscopic;thickness. The applicability region of the theory proposed includes all;truly two-dimensional materials such as graphene and MoS2. New;comprehensive interpretation and analytical expressions for;low-frequency modes in single-walled carbon nanotube (SWCNT) are given.;The theory unambiguously relates the radial breathing modes of SWCNT and;breathinglike modes of the double-walled carbon nanotube (DWCNT). The;existing Raman data on DWCNTs are fitted better than in the frame of;previous models.;Yuzyuk, Yuri/A-1285-2009;0;0;0;0;0;1098-0121;WOS:000332163500006;;;J;Wagner, Markus R.;Callsen, Gordon;Reparaz, Juan S.;Kirste, Ronny;Hoffmann, Axel;Rodina, Anna V.;Schleife, Andre;Bechstedt, Friedhelm;Phillips, Matthew R.;Effects of strain on the valence band structure and exciton-polariton;energies in ZnO;PHYSICAL REVIEW B;88;23;235210;10.1103/PhysRevB.88.235210;DEC 30 2013;2013;The uniaxial stress dependence of the band structure and the;exciton-polariton transitions in wurtzite ZnO is thoroughly studied;using modern first-principles calculations based on the HSE+ G(0)W(0);approach, k center dot p modeling using the deformation potential;framework, and polarized photoluminescence measurements. The ordering of;the valence bands [A(Gamma(7)), B(Gamma(9)), C(Gamma(7))] is found to be;robust even for high uniaxial and biaxial strains. Theoretical results;for the uniaxial pressure coefficients and splitting rates of the A, B,;and C valence bands and their optical transitions are obtained including;the effects of the spin-orbit interaction. The excitonic deformation;potentials are derived and the stress rates for hydrostatic pressure are;determined based on the results for uniaxial and biaxial stress. In;addition, the theory for the stress dependence of the exchange;interaction and longitudinal-transversal splitting of the exciton;polaritons is developed using the basic exciton functions of the;quasicubic approximation and taking the interaction between all exciton;states into account. It is shown that the consideration of these effects;is crucial for an accurate description of the stress dependence of the;optical spectra in ZnO. The theoretical results are compared to;polarized photoluminescence measurements of different ZnO substrates as;function of uniaxial pressure and experimental values reported in the;literature demonstrating an excellent agreement with the computed;pressure coefficients.;Wagner, Markus/A-3582-2009;Wagner, Markus/0000-0002-7367-5629;3;0;1;0;3;1098-0121;WOS:000332163500004;;;J;Zhang, Jian-Min;Ming, Wenmei;Huang, Zhigao;Liu, Gui-Bin;Kou, Xufeng;Fan, Yabin;Wang, Kang L.;Yao, Yugui;Stability, electronic, and magnetic properties of the magnetically doped;topological insulators Bi2Se3, Bi2Te3, and Sb2Te3;PHYSICAL REVIEW B;88;23;235131;10.1103/PhysRevB.88.235131;DEC 30 2013;2013;Magnetic interaction with the gapless surface states in a topological;insulator (TI) has been predicted to give rise to a few exotic quantum;phenomena. However, the effective magnetic doping of TI is still;challenging in the experiment. Using first-principles calculations, the;magnetic doping properties (V, Cr, Mn, and Fe) in three strong TIs;(Bi2Se3, Bi2Te3, and Sb2Te3) are investigated. We find that for all;three TIs the cation-site substitutional doping is most energetically;favorable with the anion-rich environment as the optimal growth;condition. Further, our results show that under the nominal doping;concentration of 4%, Cr- and Fe-doped Bi2Se3, Bi2Te3, and Cr-doped;Sb2Te3 remain as insulators, while all the V-and Mn-doped TIs, and;Fe-doped Sb2Te3 become metal. We also show that the magnetic interaction;of Cr-doped Bi2Se3 tends to be ferromagnetic, while Fe-doped Bi2Se3 is;likely to be antiferromagnetic. Finally, we estimate the magnetic;coupling and the Curie temperature for the promising ferromagnetic;insulator (Cr-doped Bi2Se3) by Monte Carlo simulation. These findings;may provide important guidance for the magnetism incorporation in TIs;experimentally.;Yao, Yugui/A-8411-2012; Liu, Gui-Bin/A-2724-2009; Zhang, Jian-Min/A-7757-2012;Liu, Gui-Bin/0000-0001-5935-7555;;4;0;0;0;4;1098-0121;WOS:000332163500002;;;J;Zitko, R.;Hansen, D.;Perepelitsky, E.;Mravlje, J.;Georges, A.;Shastry, B. S.;Extremely correlated Fermi liquid theory meets dynamical mean-field;theory: Analytical insights into the doping-driven Mott transition;PHYSICAL REVIEW B;88;23;235132;10.1103/PhysRevB.88.235132;DEC 30 2013;2013;We consider a doped Mott insulator in the large dimensionality limit;within both the recently developed extremely correlated Fermi liquid;(ECFL) theory and the dynamical mean-field theory (DMFT). We show that;the general structure of the ECFL sheds light on the rich frequency;dependence of the DMFT self-energy. Using the leading Fermi liquid form;of the two key auxiliary functions introduced in the ECFL theory, we;obtain an analytical ansatz, which provides a good quantitative;description of the DMFT self-energy down to hole doping level delta;similar or equal to 0.2. In particular, the deviation from Fermi liquid;behavior and the corresponding particle-hole asymmetry developing at a;low-energy scale are well reproduced by this ansatz. The DMFT being;exact at large dimensionality, our study also provides a benchmark of;the ECFL in this limit. We find that the main features of the;self-energy and spectral line shape are well reproduced by the ECFL;calculations in the O(lambda(2)) minimal scheme, for not too low doping;level delta greater than or similar to 0.3. The DMFT calculations;reported here are performed using a state-of-the-art numerical;renormalization-group impurity solver, which yields accurate results;down to an unprecedentedly small doping level delta less than or similar;to 0.001.;1;0;0;0;1;1098-0121;WOS:000332163500003;;;J;Barros, M. S. M.;Nascimento Junior, A. J.;Macedo-Junior, A. F.;Ramos, J. G. G. S.;Barbosa, A. L. R.;Open chaotic Dirac billiards: Weak (anti)localization, conductance;fluctuations, and decoherence;PHYSICAL REVIEW B;88;24;245133;10.1103/PhysRevB.88.245133;DEC 30 2013;2013;In this paper, we investigate the transport properties of open chaotic;Dirac billiards and their intrinsic (chiral universal) symmetry classes.;The prominent examples of these systems are some categories of;topological insulators and graphene structures. We extend the;diagrammatic method of integration over the unitary group and obtain;analytical results for the semiclassical limit and for the high quantum;limit in the universal regime. We show the emergence of quantum;fingerprints characteristic of the chiral symmetries, which are;amplified in the presence of a single open channel in each electronic;terminals. We compare the chaotic Dirac billiards with the "Schrodinger;billiards" in a myriad of regimes, exhibiting the differences between;the chiral universal classes and the Wigner-Dyson classes. Two numerical;methods were used to confirm our analytical findings, yielding also the;distribution of conductances. We also investigate analytically the;effect of dephasing using the characteristic time scales of the chaotic;billiards and we show the appearance of peculiar numbers of chaos.;0;0;0;0;0;1098-0121;WOS:000332164700008;;;J;Cooke, D. G.;Jepsen, P. Uhd;Lek, Jun Yan;Lam, Yeng Ming;Sy, F.;Dignam, M. M.;Picosecond dynamics of internal exciton transitions in CdSe nanorods;PHYSICAL REVIEW B;88;24;241307;10.1103/PhysRevB.88.241307;DEC 30 2013;2013;The picosecond dynamics of excitons in colloidal CdSe nanorods are;directly measured via their 1s to 2p-like internal transitions by;ultrabroadband terahertz spectroscopy. Broadened absorption peaks from;both the longitudinal and transverse states are observed at 8.5 and 11;THz, respectively. The onset of exciton-LO phonon coupling appears as a;bleach in the optical conductivity spectra at the LO phonon energy for;times > 1 ps after excitation. Simulations show a suppressed exciton;temperature due to thermally excited hole states being rapidly captured;onto ligands or unpassivated surface states. The relaxation kinetics are;manipulated and the longitudinal transition is quenched by surface;ligand exchange with hole capturing pyridine.;Lam, Yeng Ming/A-2230-2011;Lam, Yeng Ming/0000-0001-9390-8074;1;0;0;0;1;1098-0121;WOS:000332164700002;;;J;Cote, R.;Barrette, Manuel;Validity of the two-component model of bilayer and trilayer graphene in;a magnetic field;PHYSICAL REVIEW B;88;24;245445;10.1103/PhysRevB.88.245445;DEC 30 2013;2013;The eigenstates of an electron in the chiral two-dimensional electron;gas (C2DEG) formed in an AB-stacked bilayer or an ABC-stacked trilayer;graphene is a spinor with four or six components, respectively. These;components give the amplitude of the wave function on the four or six;carbon sites in the unit cell of the lattice. In the tight-binding;approximation, the eigenenergies are thus found by diagonalizing a 4 x 4;or a 6 x 6 matrix. In the continuum approximation where the electron;wave vector k << 1/a(0), with a(0) the lattice constant of the graphene;sheets, a common approximation is the two-component (or "two-band");model(1) where the eigenstates for the bilayer and trilayer systems are;described by a two-component spinor that gives the amplitude of the wave;function on the two sites with low energy vertical bar E vertical bar <<;gamma(1) where gamma(1) is the hopping energy between sites that are;directly above one another in adjacent layers. The two-component model;has been used extensively to study the phase diagram of the C2DEG in a;magnetic field as well as its transport and optical properties. In this;paper, we use a numerical approach to compute the eigenstates and Landau;level energies of the full tight-binding model in the continuum;approximation and compare them with the prediction of the two-component;model when the magnetic field or an electrical bias between the;outermost layers is varied. Our numerical analysis shows that the;two-component model is a good approximation for bilayer graphene in a;wide range of magnetic field and bias but mostly for Landau level M = 0.;The applicability of the two-component model in trilayer graphene, even;for level M = 0, is much more restricted. In this case, the;two-component model fails to reproduce some of the level crossings that;occur between the sublevels of M = 0.;3;0;0;0;3;1098-0121;WOS:000332164700013;;;J;Gammelmark, Soren;Zinner, Nikolaj Thomas;Dipoles on a two-leg ladder;PHYSICAL REVIEW B;88;24;245135;10.1103/PhysRevB.88.245135;DEC 30 2013;2013;We study polar molecules with long-range dipole-dipole interactions;confined to move on a two-leg ladder for different orientations of the;molecular dipole moments with respect to the ladder. Matrix product;states are employed to calculate the many-body ground state of the;system as a function of lattice filling fractions, perpendicular hopping;between the legs, and dipole interaction strength. We show that the;system exhibits zigzag ordering when the dipolar interactions are;predominantly repulsive. As a function of dipole moment orientation with;respect to the ladder, we find that there is a critical angle at which;ordering disappears. This angle is slightly larger than the angle at;which the dipoles are noninteracting along a single leg. This behavior;should be observable using current experimental techniques.;2;0;0;0;2;1098-0121;WOS:000332164700010;;;J;Hofer, Patrick P.;Buettiker, Markus;Emission of time-bin entangled particles into helical edge states;PHYSICAL REVIEW B;88;24;241308;10.1103/PhysRevB.88.241308;DEC 30 2013;2013;We propose a single-particle source which emits into the helical edge;states of a two-dimensional quantum spin Hall insulator. Without;breaking time-reversal symmetry, this source acts like a pair of;noiseless single-electron emitters which each inject separately into a;chiral edge state. By locally breaking time-reversal symmetry, the;source becomes a proper single-particle emitter which exhibits shot;noise. Due to its intrinsic helicity, this system can be used to produce;time-bin entangled pairs of electrons in a controlled manner. The noise;created by the source contains information on the emitted wave packets;and is proportional to the concurrence of the emitted state.;Hofer, Patrick/O-1062-2013;Hofer, Patrick/0000-0001-6036-7291;7;0;0;0;7;1098-0121;WOS:000332164700003;;;J;Leon, C.;Latge, A.;Half-metallicity study of graphene nanoribbon bilayers under external;fields;PHYSICAL REVIEW B;88;24;245446;10.1103/PhysRevB.88.245446;DEC 30 2013;2013;Here we discuss the possibility of modulating energy gaps of graphene;nanoribbon bilayers, with zigzag edges, by applying electric fields. The;system is disposed in the Bernal configuration and is described by a;Hubbard Hamiltonian. We follow a Hartree-Fock mean-field theory to;calculate the electronic properties of the system. Under the action of a;transversal electric field, half-metallicity is found: One of the spin;bands increases the gap energy as the intensity of the field is;increased whereas the other decreases until achieving a null gap. For a;particular electric field range, the system exhibits metallic and;semiconducting features depending on the spin band. Half-metallicity is;enhanced due to an extra effect for the bilayer system: The presence of;a robust plateau-like in the gap versus field intensity diagram, for an;intermediate energy gap value of the semiconducting band. The;correlation of the gap plateau with local magnetizations and charge;numbers in the two layers is investigated. Further applied gate voltages;on the ribbons are considered to investigate the possibilities of;getting new physical responses for tilted electric field configurations.;Possible spintronic applications can be driven based on the differential;spin-band features achieved.;1;0;0;0;1;1098-0121;WOS:000332164700014;;;J;Lundgren, Rex;Fuji, Yohei;Furukawa, Shunsuke;Oshikawa, Masaki;Entanglement spectra between coupled Tomonaga-Luttinger liquids:;Applications to ladder systems and topological phases;PHYSICAL REVIEW B;88;24;245137;10.1103/PhysRevB.88.245137;DEC 30 2013;2013;We study the entanglement spectrum (ES) and entropy between two coupled;Tomonaga-Luttinger liquids (TLLs) on parallel periodic chains. This;problem gives access to the entanglement properties of various;interesting systems, such as spin ladders as well as two-dimensional;topological phases. By expanding interchain interactions to quadratic;order in bosonic fields, we are able to calculate the ES for both gapped;and gapless systems using only methods for free theories. In certain;gapless phases of coupled nonchiral TLLs, we interestingly find an ES;with a dispersion relation proportional to the square root of the;subsystem momentum, which we relate to a long-range interaction in the;entanglement Hamiltonian. We numerically demonstrate the emergence of;this unusual dispersion in a model of hard-core bosons on a ladder. In;gapped phases of coupled nonchiral TLLs, which are relevant to spin;ladders and topological insulators, we show that the ES consists of;linearly dispersing modes, which resembles the spectrum of a;single-chain TLL but is characterized by a modified TLL parameter. Based;on a calculation for coupled chiral TLLs, we are also able to provide a;very simple proof for the correspondence between the ES and the;edge-state spectrum in quantum Hall systems consistent with previous;numerical and analytical studies.;Oshikawa, Masaki/F-4992-2011; Furukawa, Shunsuke/E-4416-2013;Oshikawa, Masaki/0000-0002-7637-7432;;6;0;0;0;6;1098-0121;WOS:000332164700012;;;J;Moon, Pilkyung;Koshino, Mikito;Optical properties of the Hofstadter butterfly in the moire superlattice;PHYSICAL REVIEW B;88;24;241412;10.1103/PhysRevB.88.241412;DEC 30 2013;2013;We investigate the optical absorption spectrum and the selection rule;for the Hofstadter butterfly in twisted bilayer graphene under magnetic;fields. We demonstrate that the absorption spectrum exhibits a;self-similar recursive pattern reflecting the fractal nature of the;energy spectrum. We find that the optical selection rule has a nested;self-similar structure as well, and it is governed by the conservation;of the total angular momentum summed over different hierarchies.;Moon, Pilkyung/A-2930-2010;Moon, Pilkyung/0000-0003-3994-4255;2;0;0;0;2;1098-0121;WOS:000332164700005;;;J;Poirier, Mario;de Lafontaine, Mathieu;Bourbonnais, Claude;Pouget, Jean-Paul;Charge, spin, and lattice effects in the spin-Peierls ground state of;MEM(TCNQ)(2);PHYSICAL REVIEW B;88;24;UNSP 245134;10.1103/PhysRevB.88.245134;DEC 30 2013;2013;We report an investigation of charge, spin, and lattice effects in the;spin-Peierls state of the organic compound MEM(TCNQ)(2). The 16.5-GHz;dielectric function along the chain axis shows an enhancement below the;spin-Peierls transition temperature near 18 K consistent with the charge;coupling to the elastic strain involved in the transition. The velocity;of two elastic modes perpendicular to the chain axis presents anomalies;at the transition, which can be explained with a Landau free-energy;model including a linear-quadratic coupling energy term between the;appropriate elastic strain e and the spin-Peierls magnetic gap Delta(q).;The analysis of the dielectric and elastic features aims toward an order;parameter with an associated critical exponent beta similar to 0.36,;which is similar to the three-dimensional behavior seen in other;spin-Peierls materials. All these effects studied in a magnetic field up;to 18 Teslas appear also compatible with a mean-field model of a;quasi-one-dimensional spin-Peierls system.;0;0;0;0;0;1098-0121;WOS:000332164700009;;;J;Syzranov, S. V.;Rodionov, Ya. I.;Kugel, K. I.;Nori, F.;Strongly anisotropic Dirac quasiparticles in irradiated graphene;PHYSICAL REVIEW B;88;24;241112;10.1103/PhysRevB.88.241112;DEC 30 2013;2013;We study quasiparticle dynamics in graphene exposed to a linearly;polarized electromagnetic wave of very large intensity. We demonstrate;that low-energy transport in such system can be described by an;effective time-independent Hamiltonian, characterized by multiple Dirac;points in the first Brillouin zone. Around each Dirac point the spectrum;is anisotropic: the velocity along the polarization of the radiation;significantly exceeds the velocity in the perpendicular direction.;Moreover, in some of the points the transverse velocity oscillates as a;function of the radiation intensity. We find that the conductance of a;graphene p-n junction in the regime of strong irradiation depends on the;polarization as G(theta) proportional to vertical bar sin theta vertical;bar(3/2), where theta is the angle between the polarization and the p-n;interface, and oscillates as a function of the radiation intensity.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332164700001;;;J;Toke, Csaba;Particle-hole symmetry and bifurcating ground-state manifold in the;quantum Hall ferromagnetic states of multilayer graphene;PHYSICAL REVIEW B;88;24;241411;10.1103/PhysRevB.88.241411;DEC 30 2013;2013;The orbital structure of the quantum Hall ferromagnetic states in the;zero-energy Landau level in chiral multilayer graphene (AB, ABC, ABCA,;etc. stackings) is determined by the exchange interaction with all;levels, including deep-lying states in the Dirac sea. This exchange;field favors orbitally coherent states with a U(1) orbital symmetry if;the filling factor nu is not a multiple of the number of layers. If;electrons fill the orbital sector of a fixed spin/valley component to;one-half, e.g., at nu = +/- 3, +/- 1 in the bilayer and at nu = +/- 2,;+/- 6 in the ABCA four-layer, there is a transition to a Z(2) x U(1);manifold. For weak interaction, the structure in the zero-energy Landau;band compensates for the different exchange interaction on the;sublattices in the Landau orbitals; on the other side, the ground state;comes in two copies that distribute charge on the sublattices;differently. We expect a sequence of similar bifurcations in multilayers;of Bernal stacking.;1;1;0;0;1;1098-0121;WOS:000332164700004;;;J;Tonegawa, S.;Hashimoto, K.;Ikada, K.;Tsuruhara, Y.;Lin, Y. -H.;Shishido, H.;Haga, Y.;Matsuda, T. D.;Yamamoto, E.;Onuki, Y.;Ikeda, H.;Matsuda, Y.;Shibauchi, T.;Cyclotron resonance study of quasiparticle mass and scattering rate in;the hidden-order and superconducting phases of URu2Si2;PHYSICAL REVIEW B;88;24;245131;10.1103/PhysRevB.88.245131;DEC 30 2013;2013;The observation of cyclotron resonance in ultraclean crystals of URu2Si2;[S. Tonegawa et al., Phys. Rev. Lett. 109, 036401 (2012)] provides;another route besides quantum oscillations to the determination of the;bulk electronic structure in the hidden-order phase. We report detailed;analyses of the resonance lines, which fully resolve the cyclotron mass;structure of the main Fermi surface sheets. A particular focus is given;to the anomalous splitting of the sharpest resonance line near the [110];direction under in-plane magnetic-field rotation, which implies peculiar;electronic structure in the hidden-order phase. The results under the;field rotation from [110] toward [001] direction reveal that the;splitting is a robust feature against field tilting from the basal;plane. This is in sharp contrast to the reported frequency branch alpha;in the quantum oscillation experiments showing a three-fold splitting;that disappears by a small field tilt, which can be explained by the;magnetic breakdown between the large hole sphere and small electron;pockets. Our analysis of the cyclotron resonance profiles reveals that;the heavier branch of the split line has a larger scattering rate,;providing evidence for the existence of hot-spot regions along the [110];direction. These results are consistent with the broken fourfold;rotational symmetry in the hidden-order phase, which can modify the;interband scattering in an asymmetric manner. We also extend our;measurements down to 0.7 K, which results in the observation of;cyclotron resonance in the superconducting state, where novel effects of;vortex dynamics may enter. We find that the cyclotron mass undergoes no;change in the superconducting state. In contrast, the quasiparticle;scattering rate shows a rapid decrease below the vortex-lattice melting;transition temperature, which supports the formation of quasiparticle;Bloch state in the vortex lattice phase.;Hashimoto, Kenichiro/C-4925-2012; Shibauchi, Takasada/B-9349-2008;Shibauchi, Takasada/0000-0001-5831-4924;2;1;0;0;2;1098-0121;WOS:000332164700006;;;J;Wang, Chenjie;Levin, Michael;Weak symmetry breaking in two-dimensional topological insulators;PHYSICAL REVIEW B;88;24;245136;10.1103/PhysRevB.88.245136;DEC 30 2013;2013;We show that there exist two-dimensional (2D) time-reversal invariant;fractionalized insulators with the property that both their boundary;with the vacuum and their boundary with a topological insulator can be;fully gapped without breaking time-reversal or charge conservation;symmetry. This result leads us to an apparent paradox: we consider a;geometry in which a disklike region made up of a topological insulator;is surrounded by an annular strip of a fractionalized insulator, which;is, in turn, surrounded by the vacuum. If we gap both boundaries of the;strip, we naively obtain an example of a gapped interface between a;topological insulator and the vacuum that does not break any;symmetries-an impossibility. The resolution of this paradox is that this;system spontaneously breaks time-reversal symmetry in an unusual way,;which we call weak symmetry breaking. In particular, we find that the;only order parameters that are sensitive to the symmetry breaking are;nonlocal operators that describe quasiparticle tunneling processes;between the two edges of the strip; expectation values of local order;parameters vanish exponentially in the limit of a wide strip. Also, we;find that the symmetry breaking in our system comes with a ground-state;degeneracy, but this ground-state degeneracy is topologically protected,;rather than symmetry protected. We show that this kind of symmetry;breaking can also occur at the edge of 2D fractional topological;insulators.;Wang, Chenjie/G-8652-2013;2;0;0;0;2;1098-0121;WOS:000332164700011;;;J;Zhang, Qingyun;Cheng, Yingchun;Gan, Li-Yong;Schwingenschloegl, Udo;Giant valley drifts in uniaxially strained monolayer MoS2;PHYSICAL REVIEW B;88;24;245447;10.1103/PhysRevB.88.245447;DEC 30 2013;2013;Using first-principles calculations, we study the electronic structure;of monolayer MoS2 under uniaxial strain. We show that the energy valleys;drift far off the corners of the Brillouin zone (K points), about 12;times the amount observed in graphene. Therefore, it is essential to;take this effect into consideration for a correct identification of the;band gap. The system remains a direct band gap semiconductor up to 4%;uniaxial strain, while the size of the band gap decreases from 1.73 to;1.54 eV. We also demonstrate that the splitting of the valence bands due;to inversion symmetry breaking and spin-orbit coupling is not sensitive;to strain.;Cheng, Yingchun/C-8895-2011; Gan, Liyong/D-8113-2013;3;0;0;0;3;1098-0121;WOS:000332164700015;;;J;Zhang, Wentao;Smallwood, Christopher L.;Jozwiak, Chris;Miller, Tristan L.;Yoshida, Yoshiyuki;Eisaki, Hiroshi;Lee, Dung-Hai;Lanzara, Alessandra;Signatures of superconductivity and pseudogap formation in;nonequilibrium nodal quasiparticles revealed by ultrafast angle-resolved;photoemission;PHYSICAL REVIEW B;88;24;245132;10.1103/PhysRevB.88.245132;DEC 30 2013;2013;We use time- and angle-resolved photoemission to measure the nodal;nonequilibrium electronic states in various dopings of;Bi2Sr2CaCu2O8+delta. We find that the initial pump-induced transient;signal of these ungapped states is strongly affected by the onset of the;superconducting gap at T-c, superconducting pairing fluctuations at T-p,;and the pseudogap at T*. Moreover, T-p marks a suggestive threshold in;the fluence-dependent transient signal, with the appearance of a;critical fluence below T-p that corresponds to the energy required to;break apart all Cooper pairs. These results challenge the notion of a;nodal-antinodal dichotomy in cuprate superconductors by establishing a;link between nodal quasiparticles and the cuprate phase diagram.;ZHANG, Wentao/B-3626-2011;4;1;0;0;4;1098-0121;WOS:000332164700007;;;J;Svintsov, D.;Vyurkov, V.;Ryzhii, V.;Otsuji, T.;Hydrodynamic electron transport and nonlinear waves in graphene;PHYSICAL REVIEW B;88;24;245444;10.1103/PhysRevB.88.245444;DEC 27 2013;2013;We derive the system of hydrodynamic equations governing the collective;motion of massless fermions in graphene. The obtained equations;demonstrate the lack of Galilean and Lorentz invariance and contain a;variety of nonlinear terms due to the quasirelativistic nature of;carriers. Using these equations, we show the possibility of soliton;formation in an electron plasma of gated graphene. The quasirelativistic;effects set an upper limit for soliton amplitude, which marks graphene;out of conventional semiconductors. The mentioned noninvariance of the;equations is revealed in spectra of plasma waves in the presence of;steady flow, which no longer obey the Doppler shift. The feasibility of;plasma-wave excitation by direct current in graphene channels is also;discussed.;Svintsov, Dmitry/I-1755-2014;0;0;0;0;0;1098-0121;WOS:000332160400002;;;J;Yan, Jun;Norskov, Jens K.;Calculated formation and reaction energies of 3d transition metal oxides;using a hierachy of exchange-correlation functionals;PHYSICAL REVIEW B;88;24;245204;10.1103/PhysRevB.88.245204;DEC 27 2013;2013;The formation and oxidation reaction energies of 16 transition metal;oxides (TMOs) are benchmarked against experiments with an increasing;complexity of the exchange-correlation (xc) functionals: PBE, PBE + U;with a single U for each transition metal element, PBE0 (25% exact;exchange included), EXX (100% exact exchange), and EXX + RPA (random;phase approximation for the correlation energy). Although rather;challenging on standard CPU computing facilities, the RPA calculations;were performed efficiently on graphic processing units (GPUs). For the;formation energies, the PBE + U, PBE0, EXX + RPA improves significantly;over PBE with mean absolute errors (MAE) of 0.83 (PBE), 0.39 (PBE + U),;0.34 (PBE0), and 0.39 (EXX + RPA) eV per oxygen. In addition, EXX+ RPA;improves over the other xc functionals on the oxidation reaction;energies, with MAE of 0.27 (PBE), 0.28 (PBE + U), 0.30 (PBE0), to 0.13;(EXX + RPA) eV per oxygen. The distinct trend observed for the;calculated oxidation reaction energies compared to the formation;energies is due to that the errors in formation energies for PBE and;EXX+ RPA are systematic; while for PBE + U and PBE0 the deviations have;both signs, so that the error cancellations between different valence;states work better for PBE and EXX + RPA. Finally, we compared the;performance of the EXX + RPA for total energies and G(0)W(0), which uses;the random phase approximation in constructing the W kernel, for band;gaps, and discuss a few challenges for the EXX + RPA method on TMOs.;0;0;0;0;0;1098-0121;WOS:000332160400001;;;J;Bahamon, D. A.;Neto, A. H. Castro;Pereira, Vitor M.;Effective contact model for geometry-independent conductance;calculations in graphene;PHYSICAL REVIEW B;88;23;235433;10.1103/PhysRevB.88.235433;DEC 27 2013;2013;A geometry-independent effective model for the contact self-energies is;proposed to calculate the quantum conductance of patterned graphene;devices using Green's functions. A Corbino disk, being the simplest;device where the contacts cannot be modeled as semi-infinite ribbons, is;chosen to illustrate this approach. This system's symmetry allows an;analytical solution against which numerical calculations on the lattice;can be benchmarked. The effective model perfectly describes the;conductance of Corbino disks at low-to-moderate energies, and is robust;against the size of the annular device region, the number of atoms on;the edge, external magnetic fields, or electronic disorder. The contact;model considered here affords an expedient, flexible, and;geometry-agnostic approach that easily allows the consideration of;device dimensions encompassing several million atoms, and realistic;radial dimensions of a few hundreds of nanometers.;Bahamon, Dario/G-1369-2012; Pereira, Vitor/D-4088-2009; Castro Neto, Antonio/C-8363-2014;Bahamon, Dario/0000-0003-3852-2085; Castro Neto,;Antonio/0000-0003-0613-4010;0;0;0;0;0;1098-0121;WOS:000332159200003;;;J;Hermann, Andreas;Ashcroft, N. W.;Hoffmann, Roald;Isotopic differentiation and sublattice melting in dense dynamic ice;PHYSICAL REVIEW B;88;21;214113;10.1103/PhysRevB.88.214113;DEC 27 2013;2013;The isotopes of hydrogen provide a unique exploratory laboratory for;examining the role of zero point energy (ZPE) in determining the;structural and dynamic features of the crystalline ices of water. There;are two critical regions of high pressure: (i) near 1 TPa and (ii) near;the predicted onset of metallization at around 5 TPa. At the lower;pressure of the two, we see the expected small isotopic effects on phase;transitions. Near metallization, however, the effects are much greater,;leading to a situation where tritiated ice could skip almost entirely a;phase available to the other isotopomers. For the higher pressure ices,;we investigate in some detail the enthalpics of a dynamic proton;sublattice, with the corresponding structures being quite ionic. The;resistance toward diffusion of single protons in the ground state;structures of high-pressure H2O is found to be large, in fact to the;point that the ZPE reservoir cannot overcome these. However, the;barriers toward a three-dimensional coherent or concerted motion of;protons can be much lower, and the ensuing consequences are explored.;Hermann, Andreas/E-8687-2010;Hermann, Andreas/0000-0002-8971-3933;1;0;0;0;1;1098-0121;WOS:000332157500001;;;J;Higashi, Yoichi;Nagai, Yuki;Machida, Masahiko;Hayashi, Nobuhiko;Field-angle resolved flux-flow resistivity as a phase-sensitive probe of;unconventional Cooper pairing;PHYSICAL REVIEW B;88;22;224511;10.1103/PhysRevB.88.224511;DEC 27 2013;2013;We theoretically investigate the applied magnetic field-angle dependence;of the flux-flow resistivity rho(f)(alpha(M)) for a uniaxially;anisotropic Fermi surface. rho(f) is related to the quasiparticle;scattering rate inside a vortex core, which reflects the sign change in;the superconducting pair potential. We find that rho(f)(alpha(M)) is;sensitive to the sign change in the pair potential and has its maximum;when the magnetic field is parallel to the gap-node direction. We;propose the measurement of the field-angle dependent oscillation of;rho(f)(alpha(M)) as a phase-sensitive field-angle resolved experiment.;Nagai, Yuki/B-6698-2011;Nagai, Yuki/0000-0001-5098-5440;0;0;0;0;0;1098-0121;WOS:000332158300001;;;J;Karakonstantakis, G.;Liu, L.;Thomale, R.;Kivelson, S. A.;Correlations and renormalization of the electron-phonon coupling in the;honeycomb Hubbard ladder and superconductivity in polyacene;PHYSICAL REVIEW B;88;22;224512;10.1103/PhysRevB.88.224512;DEC 27 2013;2013;We have performed extensive density matrix renormalization group (DMRG);studies of the Hubbard model on a honeycomb ladder. The band structure;(with Hubbard U = 0) exhibits an unusual quadratic band touching at;half-filling, which is associated with a quantum Lifshitz transition;from a band insulator to a metal. For one electron per site, nonzero U;drives the system into an insulating state in which there is no;pair-binding between added electrons; this implies that;superconductivity driven directly by the repulsive electron-electron;interactions is unlikely in the regime of small doping, x << 1. However,;the divergent density of states as x -> 0, the large values of the;phonon frequencies, and an unusual correlation induced enhancement of;the electron-phonon coupling imply that lightly doped polyacenes, which;approximately realize this structure, are good candidates for;high-temperature electron-phonon driven superconductivity.;1;1;0;0;1;1098-0121;WOS:000332158300002;;;J;Koerbel, Sabine;Elsaesser, Christian;Alignment of ferroelectric polarization and defect complexes in;copper-doped potassium niobate;PHYSICAL REVIEW B;88;21;214114;10.1103/PhysRevB.88.214114;DEC 27 2013;2013;Defect complexes consisting of Cu substitutionals on Nb sites and oxygen;vacancies in potassium niobate, KNbO3, are investigated with respect to;their contribution to ferroelectric hardening by means of;density-functional theory and classical atomistic simulations. We;determine the easy and hard directions for the ferroelectric;polarization created by these defect complexes, the energy differences;between easy and hard directions, and upper limits for the energy;barriers for switching the ferroelectric polarization between these;directions. The ferroelectric polarization preferentially aligns with;the defect complexes, which is expected to impede polarization switching;and hence to contribute to ferroelectric hardening.;1;0;0;0;1;1098-0121;WOS:000332157500002;;;J;Steger, Mark;Liu, Gangqiang;Nelsen, Bryan;Gautham, Chitra;Snoke, David W.;Balili, Ryan;Pfeiffer, Loren;West, Ken;Long-range ballistic motion and coherent flow of long-lifetime;polaritons;PHYSICAL REVIEW B;88;23;235314;10.1103/PhysRevB.88.235314;DEC 27 2013;2013;Exciton polaritons can be created in semiconductor microcavities. These;quasiparticles act as weakly interacting bosons with very light mass, of;the order of 10(-4) times the vacuum electron mass. Many experiments;have shown effects which can be viewed as due to a Bose-Einstein;condensate, or quasicondensate, of these particles. The lifetime of the;particles in most of those experiments has been of the order of a few;picoseconds, leading to significant nonequilibrium effects. By;increasing the cavity quality, we have made samples with longer;polariton lifetimes. With a photon lifetime on the order of 100-200 ps,;polaritons in these structures can not only come closer to reaching true;thermal equilibrium, a desired feature for many researchers working in;this field, but they can also travel much longer distances. We observe;the polaritons to ballistically travel on the order of 1 mm, and at;higher densities we see transport of a coherent condensate, or;quasicondensate, over comparable distances. In this paper we report a;quantitative analysis of the flow of the polaritons both in a low-;density, classical regime, and in the coherent regime at higher density.;Our analysis gives us a measure of the intrinsic lifetime for photon;decay from the microcavity and a measure of the strength of interactions;of the polaritons.;0;0;0;0;0;1098-0121;WOS:000332159200002;;;J;Sun, Dan;Wu, W.;Grigera, S. A.;Perry, R. S.;Mackenzie, A. P.;Julian, S. R.;Pressure study of nematicity and quantum criticality in Sr3Ru2O7 for an;in- plane field;PHYSICAL REVIEW B;88;23;235129;10.1103/PhysRevB.88.235129;DEC 27 2013;2013;We study the relationship between the nematic phases of Sr3Ru2O7 and;quantum criticality. At ambient pressure, one nematic phase is;associated with a metamagnetic quantum critical end point (QCEP) when;the applied magnetic field is near the c axis. We show, however, that;this metamagnetic transition does not produce the same nematic;signatures when the QCEP is reached by hydrostatic pressure with the;field applied in the ab plane. Moreover, a second nematic phase, that is;seen for field applied in the ab plane close to, but not right at, a;second metamagnetic anomaly, persists with minimal change to the highest;applied pressure, 16.55 kbar. Taken together our results suggest that;metamagnetic quantum criticality may not be necessary for the formation;of a nematic phase in Sr3Ru2O7.;0;0;0;0;0;1098-0121;WOS:000332159200001;;;J;Wierzbicki, M.;Swirkowicz, R.;Barnas, J.;Giant spin thermoelectric efficiency in ferromagnetic graphene;nanoribbons with antidots;PHYSICAL REVIEW B;88;23;235434;10.1103/PhysRevB.88.235434;DEC 27 2013;2013;Thermoelectric effects in zigzag graphene nanoribbons with parallel;alignment of the edge spin polarizations are investigated theoretically.;Spin and charge thermopower, electrical and heat conductance, and charge;and spin thermoelectric efficiency are calculated numerically for;pristine nanoribbons as well as for nanoribbons with periodic;one-dimensional lattice of structural defects in the form of antidots.;It is shown that structural defects reduce thermal conductance due to;phonons and open gaps in the corresponding electronic spectrum. This, in;turn, leads to a significant enhancement of the Seebeck and spin Seebeck;coefficients as well as of the thermoelectric efficiency. A giant;enhancement appears in certain regions of chemical potential (controlled;by doping or external gate) and survives at room temperatures.;1;0;0;0;1;1098-0121;WOS:000332159200004;;;J;Apalkov, Vadym;Stockman, Mark I.;Metal nanofilm in strong ultrafast optical fields;PHYSICAL REVIEW B;88;24;245438;10.1103/PhysRevB.88.245438;DEC 26 2013;2013;We predict that a metal nanofilm subjected to an ultrashort (near-single;oscillation) optical pulse of a high field amplitude greater than or;similar to 3 V/A at normal incidence undergoes an ultrafast (at subcycle;times less than or similar to 1 fs) transition to a state resembling;semimetal. Its reflectivity is greatly reduced, while its transmissivity;and the optical field inside the metal are greatly increased. Despite;the metal being a centrosymmetric medium, the strong pulse causes net;charge transfer in the direction determined by the carrier envelope;phase (CEP) of the pulse, which is opposite to the direction of the;maximum field.;2;0;0;0;2;1098-0121;WOS:000331756500005;;;J;Brems, Steven;Liu, Haoliang;Temst, Kristiaan;Van Haesendonck, Chris;Rotation sense of the magnetization in the Co/CoO exchange-bias system;probed with anisotropic magnetoresistance measurements;PHYSICAL REVIEW B;88;21;214427;10.1103/PhysRevB.88.214427;DEC 26 2013;2013;The possibility of tracking the average rotation sense of the;magnetization vector of a ferromagnetic layer upon magnetization;reversal by means of magnetotransport measurements is explored. It is;demonstrated that the rotation sense of the ferromagnetic magnetization;vector during a hysteresis loop can be determined for the;polycrystalline Co/CoO exchange bias system by measuring the anisotropic;magnetoresistance (AMR) with a specific choice of the measurement;geometry. The AMR measurements reveal that the rotation direction of the;magnetization vector can be reversed by performing an in-plane;hysteresis loop with a magnetic field perpendicular to the cooling;field. This reversal can be directly linked to the experimental fact;that after training, i.e., after performing hysteresis loops with a;field along the cooling field direction, the average orientation of the;uncompensated magnetization of the granular CoO antiferromagnet can be;largely rotated back to the initial orientation after field cooling by;applying a perpendicular field with the appropriate amplitude and;orientation.;1;0;0;0;1;1098-0121;WOS:000331751200005;;;J;Cuadra, J.;Sarkar, D.;Vina, L.;Hvam, J. M.;Nalitov, A.;Solnyshkov, D.;Malpuech, G.;Polarized emission in polariton condensates: Switching in a;one-dimensional natural trap versus inversion in two dimensions;PHYSICAL REVIEW B;88;23;235312;10.1103/PhysRevB.88.235312;DEC 26 2013;2013;We perform polarization resolved spectroscopy of two-and one-dimensional;microcavity-polariton condensates, which are formed by exciting the;system in the optical parametric oscillator configuration. We observe;polarization inversion for linearly polarized pumping parallel to the;wire in both the 1D and 2D systems. As the polarization plane of the;pump is rotated, the degree of linear polarization of the 2D system;oscillates between orthogonal polarizations with the same period as that;of the pump. However, the 1D system switches abruptly between two states;of high degree of linear polarization with half the period. Two;complementary models, based on semiclassical Boltzmann kinetic equations;and the Gross-Pitaevskii equation, respectively, obtain an excellent;agreement with the experimental results, providing a deep insight into;the mechanisms responsible for the polarization switching.;Vina, Luis/E-9415-2012;Vina, Luis/0000-0002-6376-6703;0;0;0;0;0;1098-0121;WOS:000331754500006;;;J;Das, Subrat Kumar;Singh, Viveka Nand;Majumdar, Pinaki;Magnon spectrum in the domain ferromagnetic state of antisite-disordered;double perovskites;PHYSICAL REVIEW B;88;21;214428;10.1103/PhysRevB.88.214428;DEC 26 2013;2013;In their ideal structure, double perovskites such as Sr2FeMoO6 have;alternating Fe and Mo along each cubic axis, and a homogeneous;ferromagnetic metallic ground state. Imperfect annealing leads to the;formation of structural domains. The moments on mislocated Fe atoms that;adjoin each other across the domain boundary have an antiferromagnetic;coupling between them. This leads to a peculiar magnetic state, with;ferromagnetic domains coupled antiferromagnetically. At a short distance;the system exhibits ferromagnetic correlation while at large length;scales the net moment is strongly suppressed due to interdomain;cancellation. We provide a detailed description of the spin-wave;excitations of this complex magnetic state, obtained within a 1/S;expansion, for a progressively higher degree of mislocation, i.e.,;antisite disorder. At a given wave vector the magnons propagate at;multiple energies, related, crudely, to "domain confined" modes with;which they have a large overlap. We provide a qualitative understanding;of the trend observed with growing antisite disorder, and contrast these;results to the much broader spectrum that one obtains for uncorrelated;antisites.;0;0;0;0;0;1098-0121;WOS:000331751200006;;;J;Dugaev, V. K.;Katsnelson, M. I.;Edge scattering of electrons in graphene: Boltzmann equation approach to;the transport in graphene nanoribbons and nanodisks;PHYSICAL REVIEW B;88;23;235432;10.1103/PhysRevB.88.235432;DEC 26 2013;2013;We discuss the contribution of edge scattering to the conductance of;graphene nanoribbons and nanoflakes. Using different possible types of;the boundary conditions for the electron wave function at the edge, we;found dependences of the momentum relaxation time and conductance on the;geometric sizes and on the carrier density. We also consider the case of;ballistic nanoribbon and nanodisk, for which the edge scattering is the;main mechanism of momentum relaxation.;3;0;0;0;3;1098-0121;WOS:000331754500008;;;J;Fossati, Paul C. M.;Van Brutzel, Laurent;Chartier, Alain;Crocombette, Jean-Paul;Simulation of uranium dioxide polymorphs and their phase transitions;PHYSICAL REVIEW B;88;21;214112;10.1103/PhysRevB.88.214112;DEC 26 2013;2013;In this article first-principles DFT calculations and molecular dynamics;simulations using empirical potentials have been used to study four;different polymorphs of uranium dioxide that appear under high;compressive and tensile deformations. It has been found, as expected,;that the ground-state structure is the fluorite-type structure (space;group Fm (3) over barm). Under high compressive deformation urania;transforms into cotunnite-type structure (space group Pnma), as already;known experimentally. The calculated transition pressure is 28 GPa in;agreement with the experimental data. Under tensile deformation urania;transforms into either scrutinyite-type structure (space group Pbcn) or;rutile-type (space group P4(2)/mnm) structure. These two phases are;almost energetically degenerate; hence it is impossible to distinguish;which phase is the most favorable. The transition pressure for both;phases is found to be equal to -10 GPa. Subsequently, assessment of four;of the most used empirical potentials for UO2-Morelon, Arima, Basak, and;Yakub-have been carried out comparing the equations of state with those;found with DFT calculations. The Morelon potential has been found to be;the most accurate to describe the different urania polymorphs. Using;this empirical potential and a dedicated minimization procedure,;complete transition pathways between the ground state (Fm (3) over barm);and both tensile structures (Pbcn or P4(2)/mnm) are described. Finally,;uniaxial tensile load molecular dynamics simulations have been;performed. It has been found that for load in the AU: ;FN Thomson Reuters Web of Science™;1.0;J;Bakr, M.;Souliou, S. M.;Blanco-Canosa, S.;Zegkinoglou, I.;Gretarsson, H.;Strempfer, J.;Loew, T.;Lin, C. T.;Liang, R.;Bonn, D. A.;Hardy, W. N.;Keimer, B.;Le Tacon, M.;Lattice dynamical signature of charge density wave formation in;underdoped YBa2Cu3O6+x;PHYSICAL REVIEW B;88;21;214517;10.1103/PhysRevB.88.214517;DEC 31 2013;2013;We report a detailed Raman scattering study of the lattice dynamics in;detwinned single crystals of the underdoped high-temperature;superconductor YBa2Cu3O6+x (x = 0.75, 0.6, 0.55, and 0.45). Whereas at;room temperature the phonon spectra of these compounds are similar to;that of optimally doped YBa2Cu3O6.99, additional Raman-active modes;appear upon cooling below similar to 170-200Kin underdoped crystals. The;temperature dependence of these new features indicates that they are;associated with the incommensurate charge density wave state recently;discovered using synchrotron x-ray scattering techniques on the same;single crystals. Raman scattering thus has the potential to explore the;evolution of this state under extreme conditions.;Zegkinoglou, Ioannis/H-2343-2013; Le Tacon, Mathieu/D-8023-2011;Le Tacon, Mathieu/0000-0002-5838-3724;6;0;0;0;6;1098-0121;WOS:000332165200002;;;J;Benedicto, Jessica;Centeno, Emmanuel;Polles, Remi;Moreau, Antoine;Ultimate resolution of indefinite metamaterial flat lenses;PHYSICAL REVIEW B;88;24;245138;10.1103/PhysRevB.88.245138;DEC 31 2013;2013;We propose an approach allowing a systematic optimization of lenses;based on hyperbolic metamaterials. The lensing properties of these;highly anisotropic materials are summed up in a complex effective index;extracted from the complex dispersion relation. The analytical;expression of this effective index in the homogenization regime or its;direct computation from the Bloch band diagram in the resonant regime;leads to hyperbolic metamaterials that outperform the state-of-art flat;lenses. We show that feasible metal-dielectric multilayers provide;superresolved images for visible light (around 400 nm) even when fully;taking absorption into account.;0;0;0;0;0;1098-0121;WOS:000332166700001;;;J;Biswas, P. K.;Amato, A.;Baines, C.;Khasanov, R.;Luetkens, H.;Lei, Hechang;Petrovic, C.;Morenzoni, E.;Low superfluid density and possible multigap superconductivity in the;BiS2-based layered superconductor Bi4O4S3;PHYSICAL REVIEW B;88;22;224515;10.1103/PhysRevB.88.224515;DEC 31 2013;2013;The magnetic penetration depth lambda as a function of temperature in;Bi4O4S3 was studied by muon-spin-spectroscopy measurements. The;superfluid density of Bi4O4S3 is found to be very low. The dependence of;lambda (2) on temperature possibly suggests the existence of two;s-wave-type energy gaps with the zero-temperature values of 0.93 (3) and;0.09 (4) meV. The upturn in the temperature dependence of the upper;critical field close to T-c further supports multigap superconductivity;in Bi4O4S3. The presence of two superconducting energy gaps is;consistent with theoretical and other experimental studies. However, a;single-gap s-wave model fit with a gap of 0.88 (2) meV cannot be ruled;out completely. The value of lambda(T) at T = 0 K is estimated to be;lambda(0) = 861 (17) nm, one of the largest of all known layered;superconductors, reflecting a very low superfluid density.;Luetkens, Hubertus/G-1831-2011;4;0;0;0;4;1098-0121;WOS:000332166200005;;;J;Cao, G.;Qi, T. F.;Li, L.;Terzic, J.;Cao, V. S.;Yuan, S. J.;Tovar, M.;Murthy, G.;Kaul, R. K.;Evolution of magnetism in the single-crystal honeycomb iridates;(Na1-xLix)(2)IrO3;PHYSICAL REVIEW B;88;22;220414;10.1103/PhysRevB.88.220414;DEC 31 2013;2013;We report the successful synthesis of single crystals of the layered;iridate (Na1-xLix)(2)IrO3, 0 <= x <= 0.9, and a thorough study of its;structural, magnetic, thermal, and transport properties. This compound;allows a controlled interpolation between Na2IrO3 and Li2IrO3, while;maintaining the quantum magnetism of the honeycomb Ir4+ planes. The;measured phase diagram demonstrates a suppression of the Neel;temperature T-N at an intermediate x, indicating that the magnetic;orders in Na2IrO3 and Li2IrO3 are distinct. X-ray data show that for x;approximate to 0.7, when T-N is suppressed the most, the honeycomb;structure is least distorted, leading to the speculation that at this;intermediate doping of the material is closest to the spin liquid that;has been sought after in Na2IrO3 and Li2IrO3. By analyzing our magnetic;data with a single-ion theoretical model we also show that the trigonal;splitting on the Ir4+ ions changes sign from Na2IrO3 to Li2IrO3.;8;0;0;0;8;1098-0121;WOS:000332166200001;;;J;Farr, Warrick G.;Creedon, Daniel L.;Goryachev, Maxim;Benmessai, Karim;Tobar, Michael E.;Ultrasensitive microwave spectroscopy of paramagnetic impurities in;sapphire crystals at millikelvin temperatures;PHYSICAL REVIEW B;88;22;224426;10.1103/PhysRevB.88.224426;DEC 31 2013;2013;Progress in the emerging field of engineered quantum systems requires;the development of devices that can act as quantum memories. The;realization of such devices by doping solid-state cavities with;paramagnetic ions imposes a tradeoff between ion concentration and;cavity coherence time. Here, we investigate an alternative approach;involving interactions between photons and naturally occurring impurity;ions in ultrapure crystalline microwave cavities exhibiting;exceptionally high quality factors. We implement a hybrid whispering;gallery/electron spin resonance method to perform rigorous spectroscopy;of an undoped single-crystal sapphire resonator over the frequency range;8-19 GHz, and at external applied DC magnetic fields up to 0.9 T.;Measurements of high-purity sapphire cooled close to 100 mK reveal the;presence of Fe3+, Cr3+, and V2+ impurities. A host of electron;transitions are measured and identified, including the two-photon;classically forbidden quadrupole transition (Delta m(s) = 2) for Fe3+,;as well as hyperfine transitions of V2+.;Tobar, Michael/C-9763-2009; Creedon, Daniel/A-8772-2010; Goryachev, Maxim/K-5851-2013;Creedon, Daniel/0000-0003-2912-3381; Goryachev,;Maxim/0000-0002-0257-4054;5;0;0;0;5;1098-0121;WOS:000332166200004;;;J;Joseph, B.;Bendele, M.;Simonelli, L.;Maugeri, L.;Pyon, S.;Kudo, K.;Nohara, M.;Mizokawa, T.;Saini, N. L.;Local structural displacements across the structural phase transition in;IrTe2: Order-disorder of dimers and role of Ir-Te correlations;PHYSICAL REVIEW B;88;22;224109;10.1103/PhysRevB.88.224109;DEC 31 2013;2013;We have studied local structure of IrTe2 by Ir L-3-edge extended x-ray;absorption fine structure (EXAFS) measurements as a function of;temperature to investigate origin of the observed structural phase;transition at T-s similar to 270 K. The EXAFS results show an appearance;of longer Ir-Te bond length (Delta R similar to 0.05 angstrom) at T <;T-s. We have found Ir-Ir dimerization, characterized by distinct Ir-Ir;bond lengths (Delta R similar to 0.13 angstrom), existing both above and;below T-s. The results suggest that the phase transition in IrTe2 should;be an order-disorder-like transition of Ir-Ir dimers assisted by Ir-Te;bond correlations, thus indicating important role of the interaction;between the Ir 5d and Te 5p orbitals in this transition.;KUDO, Kazutaka/B-1468-2011; NOHARA, Minoru/B-1476-2011;3;0;0;0;3;1098-0121;WOS:000332166200003;;;J;Kobayashi, Keita;Machida, Masahiko;Ota, Yukihiro;Nori, Franco;Massless collective excitations in frustrated multiband superconductors;PHYSICAL REVIEW B;88;22;224516;10.1103/PhysRevB.88.224516;DEC 31 2013;2013;We study collective excitations in three- and four-band superconductors;with interband frustration, which causes neither 0 nor pi interband;phases in the superconducting state. Using a low-energy spin Hamiltonian;originating from a multiband tight-binding model, we find that mass;reduction of a Leggett mode occurs in a wide parameter region of this;four-band system. As a limiting case, we have a massless Leggett mode.;This massless mode is related to the fact that the mean-field energy;does not depend on a relative phase of superconducting order parameters.;In other words, we find a link of the massless mode with a degeneracy;between a time-reversal-symmetry-breaking state (neither 0 nor pi;phases) and a time-reversal-symmetric state (either 0 or pi phases).;Therefore, the mass of collective modes characterizes well the;time-reversal symmetry in frustrated multiband superconductors.;Nori, Franco/B-1222-2009;Nori, Franco/0000-0003-3682-7432;2;0;0;0;2;1098-0121;WOS:000332166200006;;;J;Ohtsubo, Yoshiyuki;Yaji, Koichiro;Hatta, Shinichiro;Okuyama, Hiroshi;Aruga, Tetsuya;Two-dimensional states localized in subsurface layers of Ge(111);PHYSICAL REVIEW B;88;24;245310;10.1103/PhysRevB.88.245310;DEC 31 2013;2013;The origin of the two-dimensional surface states localized in subsurface;regions of the Ge(111) substrate has been studied by;density-functional-theory calculations, which were compared with the;experimental results of angle-resolved photoelectron spectroscopy. For;the Bi/Ge(111)-(root 3 x root 3)R30 degrees, Br/Ge(111)-(1x1), and;Tl/Ge(111)-(1x1) surfaces, we found that the surface states are;classified into three groups. The energy dispersion and the orbital;character for each band implies the relationship between the subsurface;states and the bulk heavy-hole, light-hole, and spin-orbit split-off;bands. These results indicate that the subsurface states originate from;the bulk bands that are perturbed due to the truncation of the;three-dimensional periodicity at the surface.;Okuyama, Hiroshi/H-7570-2014;1;0;0;0;1;1098-0121;WOS:000332166700002;;;J;Oiwake, M.;Ootsuki, D.;Noji, T.;Hatakeda, T.;Koike, Y.;Horio, M.;Fujimori, A.;Saini, N. L.;Mizokawa, T.;Electronic structure and phase separation of superconducting and;nonsuperconducting KxFe2-ySe2 revealed by x-ray photoemission;spectroscopy;PHYSICAL REVIEW B;88;22;224517;10.1103/PhysRevB.88.224517;DEC 31 2013;2013;We have investigated the electronic structure of superconducting (SC);and nonsuperconducting (non-SC) KxFe2-ySe2 using x-ray photoemission;spectroscopy (XPS). The spectral shape of the Fe 2p XPS is found to;depend on the amount of Fe vacancies. The Fe 2p(3/2) peak of the SC and;non-SC Fe-rich samples is accompanied by a shoulder structure on the;lower binding energy side, which can be attributed to the metallic phase;embedded in the Fe2+ insulating phase. The absence of the shoulder;structure in the non-SC Fe-poor sample allows us to analyze the Fe 2p;spectra using a FeSe4 cluster model. The Fe 3d-Se 4p charge-transfer;energy of the Fe2+ insulating phase is found to be similar to 2.3 eV;which is smaller than the Fe 3d-Fe 3d Coulomb interaction of similar to;3.5 eV. This indicates that the Fe2+ insulating state is the;charge-transfer type in the Zaanen-Sawatzky-Allen scheme. We also find a;substantial change in the valence-band XPS as a function of Fe content;and temperature. The metallic state at the Fermi level is seen in the SC;and non-SC Fe-rich samples and tends to be enhanced with cooling in the;SC sample.;0;0;0;0;0;1098-0121;WOS:000332166200007;;;J;Park, Keeseong;Nomura, Yusuke;Arita, Ryotaro;Llobet, Anna;Louca, Despina;Local strain and anharmonicity in the bonding of Bi2Se3-xTex topological;insulators;PHYSICAL REVIEW B;88;22;224108;10.1103/PhysRevB.88.224108;DEC 31 2013;2013;Using neutron diffraction and the pair density function analysis, the;local atomic structure of the three-dimensional Bi2Se3-xTex (x = 0, 1,;2, and 3) topological insulator is investigated. The substitution of Te;for Se in Bi2Se3-xTex (x = 0, 1, 2, and 3) is not random and its;preferred site is at the edges of the quintuple layer. This generates a;local strain due to the atom size mismatch between Se and Te. The site;preference is surprising given that the Bi to chalcogen bonds are;strongest when the ions are at the edges than in the middle layer. The;(Se/Te) atoms in the middle sublayer of the quintuple are coupled more;softly to the Bi atoms than those of the edges and have lower Debye;temperatures. This suggests that the atomic properties within the;quintuple layer are different than those at the edges. Additionally, the;results from band structure and density of state calculations are;reported to show the dependence of doping and temperature.;Arita, Ryotaro/D-5965-2012; Llobet, Anna/B-1672-2010;Arita, Ryotaro/0000-0001-5725-072X;;0;0;0;0;0;1098-0121;WOS:000332166200002;;;J;Pogorelov, Y. G.;Santos, M. C.;Loktev, V. M.;Impurity effects on electronic transport in ferropnictide;superconductors;PHYSICAL REVIEW B;88;22;224518;10.1103/PhysRevB.88.224518;DEC 31 2013;2013;Effects of impurities and disorder on transport properties by electronic;quasiparticles in superconducting iron pnictides are theoretically;considered. The most prominent new features compared to the case of pure;material should appear at high enough impurity concentration when a;specific narrow band of conducting quasiparticle states can develop;within the superconducting gap, around the position of localized;impurity level by a single impurity center. The predicted specific;threshold effects in the frequency-dependent optical conductivity and;temperature-dependent thermal conductivity and also in Seebeck and;Peltier coefficients can have interesting potentialities for practical;applications.;0;0;0;0;0;1098-0121;WOS:000332166200008;;;J;Reich, K. V.;Chen, T.;Efros, Al. L.;Shklovskii, B. I.;Photoluminescence in arrays of doped semiconductor nanocrystals;PHYSICAL REVIEW B;88;24;245311;10.1103/PhysRevB.88.245311;DEC 31 2013;2013;We study the dependence of the quantum yield of photoluminescence of a;dense, periodic array of semiconductor nanocrystals (NCs) on the level;of doping and NC size. Electrons introduced to NCs via doping quench;photoluminescence by the Auger process, so that practically only NCs;without electrons contribute to the photoluminescence. Computer;simulation and analytical theory are used to find a fraction of such;empty NCs as a function of the average number of donors per NC and NC;size. For an array of small spherical NCs, the quantization gap between;1S and 1P levels leads to transfer of electrons from NCs with large;number of donors to those without donors. As a result, empty NCs become;extinct, and photoluminescence is quenched abruptly at an average number;of donors per NC close to 1.8. The relative intensity of;photoluminescence is shown to correlate with the type of hopping;conductivity of an array of NCs.;2;0;0;0;2;1098-0121;WOS:000332166700003;;;J;Rousse, Gwenaelle;Rodriguez-Carvajal, Juan;Wurm, Calin;Masquelier, Christian;Spiral magnetic structure in the iron diarsenate LiFeAs2O7: A neutron;diffraction study;PHYSICAL REVIEW B;88;21;214433;10.1103/PhysRevB.88.214433;DEC 31 2013;2013;The magnetic structure of LiFeAs2O7 (monoclinic, space group C2) has;been solved using neutron powder diffraction. This compound presents an;antiferromagnetic behavior characterized by a long-range ordering;observed in the neutron diffraction patterns below the Neel temperature;(T-N = 35 K). The magnetic structure is found to be incommensurate with;respect to the nuclear structure, the magnetic peaks being indexed with;a propagation vector k = (0.709, 0, 0.155). The magnetic moments form a;general spiral (helical-cycloidal) arrangement with a constant magnetic;moment of 4.21 mu B. The magnetic structure is discussed in terms of;super-super exchange interactions involving two oxygen atoms belonging;to an AsO4 tetrahedron, and compared with the magnetic structure of the;di-phosphate analogue LiFeP2O7. The presence of triangular super-super;exchange paths is believed to be at the origin of this incommensurate;magnetic structure. The potential of LiFeAs2O7 as a possible;multiferroic material is discussed.;Rodriguez-Carvajal, Juan/C-4362-2008;Rodriguez-Carvajal, Juan/0000-0001-5582-2632;1;0;0;0;1;1098-0121;WOS:000332165200001;;;J;Smith, Peter M.;Kennett, Malcolm P.;Disorder effects on superconducting tendencies in the checkerboard;Hubbard model;PHYSICAL REVIEW B;88;21;214518;10.1103/PhysRevB.88.214518;DEC 31 2013;2013;The question of whether spatially inhomogeneous hopping in the two;dimensional Hubbard model can lead to enhancement of superconductivity;has been tackled by a number of authors in the context of the;checkerboard Hubbard model (CHM). We address the effects of disorder on;superconducting properties of the CHM by using exact diagonalization;calculations for both potential and hopping disorder. We characterize;the superconducting tendencies of the model by focusing on the;pair-binding energy, the spin gap, and d-wave pairing order parameter.;We find that superconducting tendencies, particularly the pair-binding;energy, are more robust to disorder when there is inhomogeneous hopping;than for the uniform Hubbard model. We also study all possible staggered;potentials for an eight-site CHM cluster and relate the behavior of;these configurations to the disordered system.;Kennett, Malcolm/I-2898-2012;1;0;0;0;1;1098-0121;WOS:000332165200003;;;J;Cortes-Huerto, R.;Sondon, T.;Saul, A.;Role of temperature in the formation and growth of gold monoatomic;chains: A molecular dynamics study;PHYSICAL REVIEW B;88;23;235438;10.1103/PhysRevB.88.235438;DEC 31 2013;2013;The effect of temperature on the formation and growth of monoatomic;chains is investigated by extensive molecular dynamics simulations using;a semiempirical potential based on the second-moment approximation to;the tight-binding Hamiltonian. Gold nanowires, with an aspect ratio of;similar to 13 and a cross section of similar to 1 nm(2), are stretched;at a rate of 3 m/s in the range of temperatures 5-600 K with 50 initial;configurations per temperature. A detailed study on the probability to;form monoatomic chains (MACs) is presented. Two domains are apparent in;our simulations: one at T < 100 K, where MACs develop from crystalline;disorder at the constriction, and the other at T > 100 K, where MACs;form as a consequence of plastic deformation of the nanowire. Our;results show that the average length of the formed MACs maximizes at T =;150 K, which is supported by simple energy arguments.;0;0;0;0;0;1098-0121;WOS:000332166400004;;;J;Despoja, V.;Loncaric, I.;Mowbray, D. J.;Marusic, L.;Quasiparticle spectra and excitons of organic molecules deposited on;substrates: G(0)W(0)-BSE approach applied to benzene on graphene and;metallic substrates;PHYSICAL REVIEW B;88;23;235437;10.1103/PhysRevB.88.235437;DEC 31 2013;2013;We present an alternative methodology for calculating the quasiparticle;energy, energy loss, and optical spectra of a molecule deposited on;graphene or a metallic substrate. To test the accuracy of the method it;is first applied to the isolated benzene (C6H6) molecule. The;quasiparticle energy levels and especially the energies of the benzene;excitons (triplet, singlet, optically active and inactive) are in very;good agreement with available experimental results. It is shown that the;vicinity of the various substrates [pristine/doped graphene or (jellium);metal surface] reduces the quasiparticle highest occupied molecular;orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap by an amount;that slightly depends on the substrate type. This is consistent with the;simple image theory predictions. It is even shown that the substrate;does not change the energy of the excitons in the isolated molecule. We;prove (in terms of simple image theory) that energies of the excitons;are indeed influenced by two mechanisms which cancel each other. We;demonstrate that the benzene singlet optically active (E-1u) exciton;couples to real electronic excitations in the substrate. This causes it;substantial decay, such as Gamma approximate to 174 meV for pristine;graphene and Gamma approximate to 362 meV for metal surfaces as the;substrate. However, we find that doping graphene does not influence the;E-1u exciton decay rate.;Mowbray, Duncan/A-5531-2010; DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014; Loncaric, Ivor/J-6677-2014;Mowbray, Duncan/0000-0002-8520-0364; Loncaric, Ivor/0000-0002-5554-4641;2;0;0;0;2;1098-0121;WOS:000332166400003;;;J;Dutt, Prasenjit apq;Le Hur, Karyn;Strongly correlated thermoelectric transport beyond linear response;PHYSICAL REVIEW B;88;23;235133;10.1103/PhysRevB.88.235133;DEC 31 2013;2013;We investigate nonlinear thermoelectric transport through quantum;impurity systems with strong on-site interactions. We show that the;steady-state transport through interacting quantum impurities in contact;with electron reservoirs at significantly different temperatures can be;captured by an effective-equilibrium density matrix, expressed compactly;in terms of the Lippmann-Schwinger operators of the system. In addition,;the reservoirs can be maintained at arbitrary chemical potentials. The;interplay between the temperature gradient and bias voltage gives rise;to a nontrivial breaking of particle-hole symmetry in the strongly;correlated regime, manifest in the Abrikosov-Suhl localized electron;resonance. This purely many-body effect, which is in agreement with;experimental results, is beyond the purview of mean-field arguments.;2;0;0;0;2;1098-0121;WOS:000332166400001;;;J;Li, Yunpu;King, Jonathan P.;Reimer, Jeffrey A.;Meriles, Carlos A.;Near-band-gap photoinduced nuclear spin dynamics in semi-insulating;GaAs: Hyperfine- and quadrupolar-driven relaxation;PHYSICAL REVIEW B;88;23;235211;10.1103/PhysRevB.88.235211;DEC 31 2013;2013;Understanding and manipulating spin polarization and transport in the;vicinity of semiconductor-hosted defects is a problem of present;technological and fundamental importance. Here, we use high-field;magnetic resonance to monitor the relaxation dynamics of spin-3/2 nuclei;in semi-insulating GaAs. Our experiments benefit from the conditions;created in the limit of low illumination intensities, where intermittent;occupation of the defect site by photoexcited electrons leads to;electric field gradient fluctuations and concomitant spin relaxation of;the neighboring quadrupolar nuclei. We find indication of a;heterogeneous distribution of polarization, governed by different;classes of defects activated by either weak or strong laser excitation.;Upon application of a train of light pulses of variable repetition rate;and on/off ratio, we uncover an intriguing regime of mesoscale nuclear;spin diffusion restricted by long-range, nonuniform electric field;gradients. Given the slow time scale governing nuclear spin evolution,;such optically induced polarization patterns could be exploited as a;contrast mechanism to expose dark lattice defects or localized charges;with nanoscale resolution.;0;0;0;0;0;1098-0121;WOS:000332166400002;;;J;Adolff, Christian F.;Haenze, Max;Vogel, Andreas;Weigand, Markus;Martens, Michael;Meier, Guido;Self-organized state formation in magnonic vortex crystals;PHYSICAL REVIEW B;88;22;224425;10.1103/PhysRevB.88.224425;DEC 30 2013;2013;We study the polarization-state formation in magnonic vortex crystals;via scanning transmission x-ray microscopy. Self-organized state;formation is observed by adiabatic reduction of a high-frequency field;excitation. The emerging polarization patterns are shown to depend on;the frequency of excitation and the strength of the dipolar interaction;between the elements. In spite of the complexity of the investigated;system, global order caused by local interactions creates polarization;states with a high degree of symmetry. A fundamental dipole model and;coupled equations of motion are adopted to analytically describe the;experimental results. The emerging states can be predicted by a;fundamental stability criterion based on the excitability of eigenmodes;in the crystal. Micromagnetic simulations give additional insight into;the underlying processes.;2;0;0;0;2;1098-0121;WOS:000332162300008;;;J;Berridge, A. M.;Green, A. G.;Nonequilibrium conductivity at quantum critical points;PHYSICAL REVIEW B;88;22;220512;10.1103/PhysRevB.88.220512;DEC 30 2013;2013;Quantum criticality provides an important route to revealing universal;nonequilibrium behavior. A canonical example of a critical point is the;Bose-Hubbard model, which we study under the application of an electric;field. A Boltzmann transport formalism and is an element of expansion;are used to obtain the nonequilibrium conductivity and current noise.;This approach allows us to explicitly identify how a universal;nonequilibrium steady state is maintained, by identifying the;rate-limiting step in balancing Joule heating and dissipation to a heat;bath. It also reveals that the nonequilibrium distribution function is;very far from a thermal distribution.;1;0;0;0;1;1098-0121;WOS:000332162300004;;;J;Bojesen, Troels Arnfred;Babaev, Egor;Sudbo, Asle;Time reversal symmetry breakdown in normal and superconducting states in;frustrated three-band systems;PHYSICAL REVIEW B;88;22;220511;10.1103/PhysRevB.88.220511;DEC 30 2013;2013;We discuss the phase diagram and phase transitions in U(1) x Z(2);three-band superconductors with broken time reversal symmetry. We find;that beyond mean-field approximation and for sufficiently strong;frustration of interband interactions there appears an unusual metallic;state precursory to a superconducting phase transition. In that state,;the system is not superconducting. Nonetheless, it features a;spontaneously broken Z(2) time reversal symmetry. By contrast, for weak;frustration of interband coupling the energy of a domain wall between;different Z(2) states is low and thus fluctuations restore broken time;reversal symmetry in the superconducting state at low temperatures.;2;0;0;0;2;1098-0121;WOS:000332162300003;;;J;Gracia-Salgado, Rogelio;Garcia-Chocano, Victor M.;Torrent, Daniel;Sanchez-Dehesa, Jose;Negative mass density and rho-near-zero quasi-two-dimensional;metamaterials: Design and applications;PHYSICAL REVIEW B;88;22;224305;10.1103/PhysRevB.88.224305;DEC 30 2013;2013;We report the design and the characterization of artificial structures;made of periodical distributions of structured cylindrical scatterers;embedded in a two-dimensional (2D) waveguide. For certain values of;their geometrical parameters they show simultaneously negative effective;bulk modulus and negative effective mass density. Here our analysis is;focused on the frequencies where they behave like materials with;negative density or density near zero (DNZ). The scattering units;consist of a rigid cylindrical core surrounded by an anisotropic shell;divided in angular sectors. The units are embedded in a 2D waveguide;whose height is smaller than the length of the cylinders, which makes;the structure quasi-2D. We have obtained the dispersion relation of the;surface acoustic waves excited at frequencies with negative effective;density. Also, we report phenomena associated with their DNZ behavior,;such as tunneling through narrow channels, control of the radiation;field, perfect transmission through sharp corners, and power splitting.;Preliminary experiments performed on samples with millimeter-scale;dimensions demonstrated their single-negative behavior, with the main;drawback being the strong losses measured at the frequencies where the;negative behavior is observed.;sanchez-dehesa, jose/L-9726-2014;1;0;0;0;1;1098-0121;WOS:000332162300006;;;J;Klar, D.;Brena, B.;Herper, H. C.;Bhandary, S.;Weis, C.;Krumme, B.;Schmitz-Antoniak, C.;Sanyal, B.;Eriksson, O.;Wende, H.;Oxygen-tuned magnetic coupling of Fe-phthalocyanine molecules to;ferromagnetic Co films;PHYSICAL REVIEW B;88;22;224424;10.1103/PhysRevB.88.224424;DEC 30 2013;2013;The coupling of submonolayer coverages of Fe-phthalocyanine molecules on;bare and oxygen-covered ferromagnetic Co(001) films was studied by;x-ray-absorption spectroscopy, especially the x-ray magnetic circular;dichroism, in combination with density functional theory. We observe;that the magnetic moments of the paramagnetic molecules are aligned even;at room temperature, resulting from a magnetic coupling to the;substrate. While the magnetization of the Fe ions directly adsorbed on;the Co surface is parallel to the magnetization of the Co film, the;introduction of an oxygen interlayer leads to an antiparallel alignment.;As confirmed by theory, the coupling strength is larger for the system;FePc/Co than for FePc/O/Co, causing a stronger temperature dependence of;the Fe magnetization for the latter system. Furthermore, the;calculations reveal that the coupling mechanism changes due to the O;layer from mostly direct exchange to Co of the bare surface to a 180;degrees antiferromagnetic superexchange via the O atoms. Finally, by;comparing the experimental x-ray-absorption spectra at the N K edge with;the corresponding calculations, the contribution of the individual;orbitals has been determined and the two inequivalent N atoms of the;molecules could be distinguished.;Wende, Heiko/J-8505-2012; Schmitz-Antoniak, Carolin/C-2234-2009;Schmitz-Antoniak, Carolin/0000-0002-8450-3515;3;0;0;0;3;1098-0121;WOS:000332162300007;;;J;Moor, Andreas;Volkov, Anatoly F.;Efetov, Konstantin B.;Time-dependent equation for the magnetic order parameter near the;quantum critical point in multiband superconductors with a spin-density;wave;PHYSICAL REVIEW B;88;22;224513;10.1103/PhysRevB.88.224513;DEC 30 2013;2013;Using a simple two-band model for Fe-based pnictides and the generalized;Eilenberger equation, we present a microscopic derivation of a;time-dependent equation for the amplitude of the spin-density wave near;the quantum critical point where it turns to zero. This equation;describes the dynamics of the magnetic (m), as well as the;superconducting order parameter (Delta). It is valid at low temperatures;T and small m (T, m << Delta) in a region of coexistence of both order;parameters, m and Delta. The boundary of this region is found in the;space of the nesting parameter {mu(0), mu(f)}, where mu(0) describes the;relative position of the electron and the hole pockets on the energy;scale and mu(phi) accounts for the ellipticity of the electron pocket.;At low T the number of quasiparticles is small due to the presence of;the energy gap Delta, and therefore the quasiparticles do not play a;role in the relaxation of m. This circumstance allows one to derive the;time-dependent equation for m in contrast to the case of conventional;superconductors for which the time-dependent Ginzburg-Landau equation;can be derived near T-c only in some special cases (high concentration;of paramagnetic impurities) [L. P. Gor'kov and G. M. Eliashberg, Sov.;Phys. JETP 27, 328 (1968)]. In the stationary case the derived equation;is valid at arbitrary temperatures. We find a solution of the stationary;equation which describes a domain wall in the magnetic structure. In the;center of the domain wall the superconducting order parameter has a;maximum, which means a local enhancement of superconductivity. Using the;derived time-dependent equation for m, we investgate also the stability;of a uniform commensurate spin-density wave (SDW) and obtain the values;of {mu(0), mu(f)} at which the first-order transition into the state;with m = 0 takes place or the transition to the state with an;inhomogeneous SDW occurs.;DONOSTIA INTERNATIONAL PHYSICS CTR., DIPC/C-3171-2014;1;0;0;0;1;1098-0121;WOS:000332162300009;;;J;Singh, Yogesh;Tokiwa, Y.;Dong, J.;Gegenwart, P.;Spin liquid close to a quantum critical point in Na4Ir3O8;PHYSICAL REVIEW B;88;22;10.1103/PhysRevB.88.220413;DEC 30 2013;2013;Na4Ir3O8 is a candidate material for a three-dimensional quantum spin;liquid on the hyperkagome lattice. We present thermodynamic measurements;of heat capacity C and thermal conductivity kappa on high-quality;polycrystalline samples of Na4Ir3O8 down to T = 500 and 75 mK,;respectively. Absence of long-range magnetic order down to T = 75 mK;strongly supports claims of a spin-liquid ground state. The constant;magnetic susceptibility chi below T approximate to 25 K and the presence;of a small but finite linear-T term in C(T) suggest the presence of;gapless spin excitations. Additionally, the magnetic Gruneisen ratio;shows a divergence as T -> 0 K and a scaling behavior, which clearly;demonstrates that Na4Ir3O8 is situated close to a zero-field QCP.;Dong, Jinkui/J-3603-2013;2;0;0;0;2;1098-0121;WOS:000332162300002;;;J;Taen, Toshihiro;Ohtake, Fumiaki;Akiyama, Hiroki;Inoue, Hiroshi;Sun, Yue;Pyon, Sunseng;Tamegai, Tsuyoshi;Pair-breaking effects induced by 3-MeV proton irradiation in;Ba1-xKxFe2As2;PHYSICAL REVIEW B;88;22;224514;10.1103/PhysRevB.88.224514;DEC 30 2013;2013;Pair-breaking effects induced by 3-MeV proton irradiations are examined;in underdoped, optimally doped, and overdoped Ba1-xKxFe2As2 single;crystals in terms of suppression of the superconducting critical;temperature T-c. The small residual resistivity (RR) in as-grown;crystals shows the presence of negligible intrinsic scatterings, which;makes this material a model system for studying the effect of;artificially introduced scatterings. The RR and Tc change linearly with;the proton dose. As in the case of proton irradiation in Co-doped;BaFe2As2, we do not detect any low-temperature upturns in resistivity;attributable to magnetic scattering or localization. Regardless of K;doping levels, the critical value of the normalized scattering rate is;much higher than that expected in s(perpendicular to)-wave;superconductors.;悦, 孙/B-1373-2013;悦, 孙/0000-0002-5189-5460;3;0;0;0;3;1098-0121;WOS:000332162300010;;;J;Yan, Ming;Kakay, Attila;Andreas, Christian;Hertel, Riccardo;Spin-Cherenkov effect and magnonic Mach cones;PHYSICAL REVIEW B;88;22;220412;10.1103/PhysRevB.88.220412;DEC 30 2013;2013;We report on the Cherenkov-type excitation of spin waves (SWs) in;ferromagnets. Our micromagnetic simulations show that a localized;magnetic field pulse moving sufficiently fast along the surface of a;ferromagnet generates a SW boom, with a Mach-type cone of propagating;wave fronts. The SWs are formed when the velocity of the source exceeds;the propagation speed of SWs. Unlike the single cone of the usual;Cherenkov effect, we find that the magnetic Mach cone consists of two;wave fronts with different wave numbers. In patterned thin strips, this;magnetic analog of the Cherenkov effect should enable the excitation of;SWs with well-defined and velocity-dependent frequency. It thereby;provides a promising route towards tunable SW generation, with important;potential for applications in magnonic devices.;2;0;0;0;2;1098-0121;WOS:000332162300001;;;J;Yang, Lusann;Ceder, Gerbrand;Data-mined similarity function between material compositions;PHYSICAL REVIEW B;88;22;224107;10.1103/PhysRevB.88.224107;DEC 30 2013;2013;A new method for assessing the similarity of material compositions is;described. A similarity measure is important for the classification and;clustering of compositions. The similarity of the material compositions;is calculated utilizing a data-mined ionic substitutional similarity;based upon the probability with which two ions will substitute for each;other within the same structure prototype. The method is validated via;the prediction of crystal structure prototypes for oxides from the;Inorganic Crystal Structure Database, selecting the correct prototype;from a list of known prototypes within five guesses 75% of the time. It;performs particularly well on the quaternary oxides, selecting the;correct prototype from a list of known prototypes on the first guess 65%;of the time.;1;0;0;0;1;1098-0121;WOS:000332162300005;;;J;Bartelt, Norman C.;Nie, Shu;Starodub, Elena;Bernal-Villamil, Ivan;Gallego, Silvia;Vergara, Lucia;McCarty, Kevin F.;de la Figuera, Juan;Order-disorder phase transition on the (100) surface of magnetite;PHYSICAL REVIEW B;88;23;235436;10.1103/PhysRevB.88.235436;DEC 30 2013;2013;Using low-energy electron diffraction, we show that the room-temperature;(root 2 x root 2) R45 degrees reconstruction of Fe3O4(100) reversibly;disorders at similar to 450 degrees C. Short-range order persists above;the transition, suggesting that the transition is second order and;Ising-like. We interpret the transition in terms of a model in which;subsurface Fe3+ is replaced by Fe2+ as the temperature is raised. This;model reproduces the structure of antiphase boundaries previously;observed with scanning tunneling microscopy, as well as the continuous;nature of the transition. To account for the observed transition;temperature, the energy cost of each charge rearrangement is 82 meV.;de la Figuera, Juan/E-7046-2010; Gallego Queipo, Silvia/J-3411-2012;de la Figuera, Juan/0000-0002-7014-4777;;1;0;0;0;1;1098-0121;WOS:000332163500007;;;J;Cazorla, Claudio;Iniguez, Jorge;Insights into the phase diagram of bismuth ferrite from quasiharmonic;free-energy calculations;PHYSICAL REVIEW B;88;21;214430;10.1103/PhysRevB.88.214430;DEC 30 2013;2013;We have used first-principles methods to investigate the phase diagram;of multiferroic bismuth ferrite (BiFeO3 or BFO), revealing the energetic;and vibrational features that control the occurrence of various relevant;structures. More precisely, we have studied the relative stability of;four low-energy BFO polymorphs by computing their free energies within;the quasiharmonic approximation, introducing a practical scheme that;allows us to account for the main effects of spin disorder. As expected,;we find that the ferroelectric ground state of the material (with R3c;space group) transforms into an orthorhombic paraelectric phase (Pnma);upon heating. We show that this transition is not significantly affected;by magnetic disorder, and that the occurrence of the Pnma structure;relies on its being vibrationally (although not elastically) softer than;the R3c phase. We also investigate a representative member of the family;of nanotwinned polymorphs recently predicted for BFO [S. Prosandeev et;al., Adv. Funct. Mater. 23, 234 (2013)] and discuss their possible;stabilization at the boundaries separating the R3c and Pnma regions in;the corresponding pressure-temperature phase diagram. Finally, we;elucidate the intriguing case of the so-called supertetragonal phases of;BFO: Our results explain why such structures have never been observed in;the bulk material, despite their being stable polymorphs of very low;energy. Quantitative comparison with experiment is provided whenever;possible, and the relative importance of various physical effects;(zero-point motion, spin fluctuations, thermal expansion) and technical;features (employed exchange-correlation energy density functional) is;discussed. Our work attests the validity and usefulness of the;quasiharmonic scheme to investigate the phase diagram of this complex;oxide, and prospective applications are discussed.;Iniguez, Jorge/B-6856-2009;Iniguez, Jorge/0000-0001-6435-3604;0;0;0;0;0;1098-0121;WOS:000332161300005;;;J;Chandrasekaran, Anand;Damjanovic, Dragan;Setter, Nava;Marzari, Nicola;Defect ordering and defect-domain-wall interactions in PbTiO3: A;first-principles study;PHYSICAL REVIEW B;88;21;214116;10.1103/PhysRevB.88.214116;DEC 30 2013;2013;The properties of ferroelectric materials, such as lead zirconate;titanate (PZT), are heavily influenced by the interaction of defects;with domain walls. These defects are either intrinsic or are induced by;the addition of dopants. We study here PbTiO3 (the end member of a key;family of solid solutions) in the presence of acceptor (Fe) and donor;(Nb) dopants, and the interactions of the different defects and defect;associates with the domain walls. For the case of iron acceptors, the;calculations point to the formation of defect associates involving an;iron substitutional defect and a charged oxygen vacancy (Fe-Ti'-V-O '').;This associate exhibits a strong tendency to align in the direction of;the bulk polarization; in fact, ordering of defects is also observed in;pure PbTiO3 in the form of lead-oxygen divacancies. Conversely,;calculations on donor-doped PbTiO3 do not indicate the formation of;polar defect complexes involving donor substitutions. Last, it is;observed that both isolated defects in donor-doped materials and defect;associates in acceptor-doped materials are more stable at 180 degrees.;domain walls. However, polar defect complexes lead to asymmetric;potentials at domain walls due to the interaction of the defect;polarization with the bulk polarization. The relative pinning;characteristics of different defects are then compared, to develop an;understanding of defect-domain-wall interactions in both doped and pure;PbTiO3. These results may also help in understanding hardening and;softening mechanisms in PZT.;Damjanovic, Dragan/A-8231-2008;Damjanovic, Dragan/0000-0002-9596-7438;3;1;0;0;3;1098-0121;WOS:000332161300002;;;J;Choi, Minseok;Janotti, Anderson;Van de Walle, Chris G.;Native point defects in LaAlO3: A hybrid functional study;PHYSICAL REVIEW B;88;21;214117;10.1103/PhysRevB.88.214117;DEC 30 2013;2013;We investigate the electronic structure of defects in LaAlO3 (LAO) and;their effects on electronic properties of bulk and heterostructures. Our;calculations indicate that vacancies have lower formation energies than;interstitials and antisites. The La vacancy (V-La) and the Al vacancy;(V-Al) are deep acceptors, while the oxygen vacancy (VO) is a deep;donor. The impact of these defects on the performance of;metal-oxide-semiconductor devices is analyzed by placing the LAO band;edges and defect levels with respect to the band edges of GaN, InGaAs,;and Si. V-O introduces levels in the gap or in the vicinity of the;semiconductor conduction band, resulting in carrier traps and/or leakage;current through the gate oxide, while V-La and V-Al are sources of;negative fixed charges. We also discuss how oxygen vacancies in LAO can;influence the observed two-dimensional electron gas (2DEG) in;LaAlO3/SrTiO3 heterostructures. We conclude that V-O in the LAO layer;may provide electrons that fill compensating surface states, resulting;in higher 2DEG densities, at least for modest LAO layer thicknesses.;Van de Walle, Chris/A-6623-2012;Van de Walle, Chris/0000-0002-4212-5990;4;0;0;0;4;1098-0121;WOS:000332161300003;;;J;Haham, Noam;Konczykowski, Marcin;Kuiper, Bouwe;Koster, Gertjan;Klein, Lior;Testing dependence of anomalous Hall effect on resistivity in SrRuO3 by;its increase with electron irradiation;PHYSICAL REVIEW B;88;21;214431;10.1103/PhysRevB.88.214431;DEC 30 2013;2013;We measure the anomalous Hall effect (AHE) in several patterns of the;itinerant ferromagnet SrRuO3 before and after the patterns are;irradiated with electrons. The irradiation increases the resistivity of;the patterns due to the introduction of point defects and we find that;the AHE coefficient R-s scales with the total resistivity before and;after irradiation which indicates that the AHE is determined by the;total resistivity. We discuss possible origins of slight deviations from;scaling that are observed at low temperature, particularly below 70 K.;0;0;0;0;0;1098-0121;WOS:000332161300006;;;J;Heinhold, R.;Williams, G. T.;Cooil, S. P.;Evans, D. A.;Allen, M. W.;Influence of polarity and hydroxyl termination on the band bending at;ZnO surfaces;PHYSICAL REVIEW B;88;23;235315;10.1103/PhysRevB.88.235315;DEC 30 2013;2013;Surface sensitive synchrotron x-ray photoelectron spectroscopy (XPS) and;real-time in situ XPS were used to study the thermal stability of the;hydroxyl termination and downward band bending on the polar surfaces of;ZnO single crystals. On the O-polar face, the position of the Fermi;level could be reversibly cycled between the conduction band and the;band gap over an energetic distance of approximately 0.8 eV (similar to;1/4 of the band gap) by controlling the surface H coverage using simple;ultrahigh vacuum (UHV) heat treatments up to 750 degrees C, dosing with;H2O/H-2 and atmospheric exposure. A metallic to semiconductorlike;transition in the electronic nature of the O-polar face was observed at;an H coverage of approximately 0.9 monolayers. For H coverage less than;this, semiconducting (depleted) O-polar surfaces were created that were;reasonably stable in UHV conditions. In contrast, the downward band;bending on the Zn-polar face was significantly more resilient, and;depleted surfaces could not be prepared by heat treatment alone.;3;0;0;0;3;1098-0121;WOS:000332163500005;;;J;Levy, Peter M.;Yang, Hongxin;Chshiev, Mairbek;Fert, Albert;Spin Hall effect induced by Bi impurities in Cu: Skew scattering and;side-jump;PHYSICAL REVIEW B;88;21;214432;10.1103/PhysRevB.88.214432;DEC 30 2013;2013;The spin Hall effect (SHE) has recently turned out to be an interesting;tool for the conversion between charge and spin currents, the conversion;factor being characterized by the spin Hall angle Phi(H). Large spin;Hall angles have been now measured in heavy metals like W(Phi(H) =;-0.33) and Cu doped with Bi impurities (Phi(H) = -0.24). In this article;we express the contributions to the SHE induced by skew scattering and;scattering with side-jump from Bi impurities in Cu, and we use ab initio;calculations of the electronic structure of CuBi alloys to estimate the;values of these two contributions. The predominant effect comes from;skew scattering; the spin Hall angle is negative in agreement with;experiments, but the calculated amplitude is smaller.;Chshiev, Mairbek/A-9742-2008; Yang, HongXin/H-5719-2012;Chshiev, Mairbek/0000-0001-9232-7622;;0;0;0;0;0;1098-0121;WOS:000332161300007;;;J;Lu, Wenlai;Yang, Ping;Song, Wen Dong;Chow, Gan Moog;Chen, Jing Sheng;Control of oxygen octahedral rotations and physical properties in SrRuO3;films;PHYSICAL REVIEW B;88;21;214115;10.1103/PhysRevB.88.214115;DEC 30 2013;2013;Control of octahedral rotations in the ABO(3) perovskite oxides has been;of great interest due to its potential in rationally discovering and;designing new multifunctional phases. In this study, we show that;octahedral rotations of the SrRuO3 films can be controlled by oxygen;vacancies as well as by interfacial coupling, which further determines;the physical properties. Half-integer reflections using high-resolution;synchrotron x-ray diffraction were carried out to determine the;octahedral rotation pattern of SrRuO3 films on SrTiO3 substrates. The;transition of RuO6 rotation pattern accompanied by the structural change;from monoclinic P2(1)/m to tetragonal F4/mmc can be understood from the;preference of oxygen vacancies in the SrO atomic plane and the coupling;of octahedra across the interface between film and substrate. The field;angle dependence of magnetoresistance further confirmed the structural;phase transition with changes in octahedral rotations. The monoclinic;phase has the uniaxial magnetic easy axis 30 away from the [001];direction towards the [010] direction while the tetragonal phase has;uniaxial magnetic easy axis along the fourfold axis which is;perpendicular to the film surface. This study demonstrates the ability;to control the octahedral rotations in perovskite films and its;importance when designing thin films and multilayers with desired;functional property.;Chen, Jingsheng/D-9107-2011; Yang, Ping/C-5612-2008;1;0;0;0;1;1098-0121;WOS:000332161300001;;;J;Marcano, N.;Algarabel, P. A.;Rodriguez Fernandez, J.;Magen, C.;Morellon, L.;Singh, Niraj K.;Gschneidner, K. A., Jr.;Pecharsky, V. K.;Ibarra, M. R.;Effects of pressure on the magnetic-structural and Griffiths-like;transitions in Dy5Si3Ge;PHYSICAL REVIEW B;88;21;214429;10.1103/PhysRevB.88.214429;DEC 30 2013;2013;Magnetization studies have been performed on a polycrystalline sample of;Dy5Si3Ge as a function of an applied magnetic field (up to 50 kOe) and;hydrostatic pressure (up to 10 kbar) in the 5-300 K temperature range.;The anomalous behavior of the magnetic susceptibility indicates that a;Griffiths-like phase exists at low magnetic fields and pressures up to;10 kbar. We present evidence that the high-temperature second-order;ferromagnetic transition can be coupled with the low-temperature;first-order crystallographic transformation into a single first-order;magnetic-crystallographic transformation using a magnetic field and;hydrostatic pressure as tuning parameters. The effect of pressure on the;Griffiths-like phase is reported and analyzed in the framework of the;complex competition between the interslab and intraslab magnetic;interactions.;Magen, Cesar/A-2825-2013; Morellon, Luis/K-6922-2014; Marcano Aguado, Noelia/F-9446-2010;
7:15:1:22 Influence of structure defects on functional properties of magnetoresistance (Nd0.7Sr0.3)(1-x)Mn1+xO3 ceramics
DOI:10.1016/j.actamat.2014.02.014 JN:ACTA MATERIALIA PY:2014 TC:0 AU: Pashchenko, A. V.;Pashchenko, V. P.;Prokopenko, V. K.;Revenko, Yu. F.;Prylipko, Yu. S.;Ledenev, N. A.;Levchenko, G. G.;Dyakonov, V. P.;Szymczak, H.;
7:15:2:1 Influence of Fe segregation at grain boundaries on the magnetoresistance of Sr2Fe1+delta MoO6 polycrystals
DOI:10.1063/1.4757026 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:10 AU: Kumar, Nitu;Pandey, Vibhav;Gaur, Anurag;Kotnala, R. K.;
7:15:2:2 Increased low field magnetoresistance in electron doped system Sr0.4Ba1.6-xLaxFeMoO6
DOI:10.1063/1.3481085 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:8 AU: Pandey, Vibhav;Verma, Vivek;Bhalla, G. L.;Kotnala, R. K.;
7:15:2:3 Room temperature low field magnetoresistance in Sr2FeMoO6/ZnxFe1-xFe2O4 composites
DOI:10.1063/1.4817024 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Kumar, Nitu;Khurana, Geetika;Gaur, Anurag;Kotnala, R. K.;
7:15:2:4 Study of ferromagnetic-metal type Sr2FeMoO6 + xAg (x=0-10 wt%) composites
DOI:10.1016/j.jallcom.2013.01.071 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:3 AU: Kumar, Nitu;Aloysius, R. P.;Gaur, Anurag;Kotnala, R. K.;
7:15:2:5 Stable Fe deficient Sr2Fe1-delta MoO6 (0.0 <= delta <= 0.10) compound
DOI:10.1016/j.jallcom.2014.02.173 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Kumar, Nitu;Gaur, Anurag;Kotnala, R. K.;
7:15:2:6 Observation of superparamagnetism in ultra-fine ZnxFe1-xFe2O4 nanocrystals synthesized by co-precipitation method
DOI:10.1016/j.matchemphys.2012.03.069 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2012 TC:4 AU: Kumar, Nitu;Khurana, Geetika;Gaur, Anurag;Kotnala, R. K.;
7:15:3:1 Doping Induced Spin State Transition in LaCoO3: Dynamical M ean-Field Study
DOI:10.1103/PhysRevLett.110.267204 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:5 AU: Augustinsky, P.;Krapek, V.;Kunes, J.;
7:15:3:2 Evolution of Magnetic Oxygen States in Sr-Doped LaCoO3
DOI:10.1103/PhysRevLett.109.157204 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:11 AU: Medling, S.;Lee, Y.;Zheng, H.;Mitchell, J. F.;Freeland, J. W.;Harmon, B. N.;Bridges, F.;
7:15:3:3 Double Exchange via t(2g) Orbitals and the Jahn-Teller Effect in Ferromagnetic La0.7Sr0.3CoO3 Probed by Epitaxial Strain
DOI:10.1103/PhysRevLett.111.257203 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:1 AU: Fuchs, D.;Merz, M.;Nagel, P.;Schneider, R.;Schuppler, S.;von Loehneysen, H.;
7:15:3:4 Rhombohedral distortion effects on electronic structure of LaCoO3
DOI:10.1063/1.4798350 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Lee, Y.;Harmon, B. N.;
7:15:4:1 Effects of 5d Ir-substitution on structures, transport and magnetic properties of Sr2FeMoO6
DOI:10.1016/j.ceramint.2012.12.103 JN:CERAMICS INTERNATIONAL PY:2013 TC:0 AU: Wang, Jin-Feng;Li, Zheng;Zhang, Shan-Tao;Zhou, Jian;Gu, Zheng-Bin;Yao, Shu-Hua;Chen, Y. B.;Chen, Yan-Feng;
7:15:4:2 Temperature and composition dependence of crystal structures and magnetic and electronic properties of the double perovskites La2-xSrxCoIrO6 (0 <= x <= 2)
DOI:10.1103/PhysRevB.82.024403 JN:PHYSICAL REVIEW B PY:2010 TC:13 AU: Narayanan, N.;Mikhailova, D.;Senyshyn, A.;Trots, D. M.;Laskowski, R.;Blaha, P.;Schwarz, K.;Fuess, H.;Ehrenberg, H.;
7:15:4:3 Effect of oxygen substitution by nitrogen on magnetic and transport properties in Sr2FeMoO6 compound
DOI:10.1016/j.ceramint.2011.09.014 JN:CERAMICS INTERNATIONAL PY:2012 TC:4 AU: Huo, Guoyan;Wen, Jingjuan;Zhang, Chenghui;Ren, Minghui;
7:15:4:4 Structural, electronic and magnetic properties of Mo (4d)-based complex perovskites Ba2MMoO6 (M=Cr and Fe)
DOI:10.1016/j.jmmm.2014.02.047 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:2 AU: Saad, H. -E. M. Musa;El-Hagary, M.;
7:15:4:5 The structures and positive magnetoresistance of metallic Sr2CrWO6 epitaxial thin film
DOI:10.1016/j.ceramint.2013.05.045 JN:CERAMICS INTERNATIONAL PY:2013 TC:0 AU: Ji, Wei-jing;Xu, Jie;Jiao, Long;Wang, Jin-Feng;Gu, Zheng-Bin;Chen, Y. B.;Zhou, Jian;Yao, Shu-Hua;Zhang, Shan-Tao;
7:15:4:6 Anomalous transport effects for the metal and insulator doped La0.833K0.167MnO3 systems
DOI:10.1016/j.jmmm.2012.02.117 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:1 AU: Jian, Wu;
7:15:4:7 Influence of rare-earth ion doping on magnetotransport behavior of potassium doped manganites
DOI:10.1016/j.matchemphys.2013.10.033 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2014 TC:3 AU: Lakshmi, Y. Kalyana;Manjunathrao, S.;Reddy, P. Venugopal;
7:15:5:1 Correlation between electrical properties and thermodynamic stability of ACoO(3-delta) perovskites (A = La, Pr, Nd, Sm, Gd)
DOI:10.1103/PhysRevB.84.085113 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Scherrer, Barbara;Harvey, Ashley S.;Tanasescu, Speranta;Teodorescu, Florina;Botea, Alina;Conder, Kazimierz;Grundy, A. Nicholas;Martynczuk, Julia;Gauckler, Ludwig J.;
7:15:5:2 Crystal-field interaction and oxygen stoichiometry effects in strontium-doped rare-earth cobaltates
DOI:10.1103/PhysRevB.90.064426 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Furrer, A.;Podlesnyak, A.;Frontzek, M.;Sashin, I.;Embs, J. P.;Mitberg, E.;Pomjakushina, E.;
7:15:5:3 Molten-salt-mediated synthesis and low-temperature electrical conduction of LnCoO(3) (Ln = Pr, Nd, Sm, and Gd)
DOI:10.1016/j.jallcom.2014.05.130 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:0 AU: Wang, Heng;Li, Guangshe;Li, Liping;
7:15:5:4 The Positive and Negative Magnetodielectric Effects in Double Perovskite Pr2CoMnO6
DOI:10.1111/jace.13009 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:4 AU: Wang, Liao Yu;Li, Qian;Gong, Yuan Yuan;Wang, Dun Hui;Cao, Qing Qi;Du, You Wei;
7:15:5:5 Cation size effect on the thermochromic properties of rare earth cobaltites RECoO3 (RE: La, Nd, Sm)
DOI:10.1063/1.4821884 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Capon, F.;Boileau, A.;Carteret, C.;Martin, N.;Boulet, P.;Pierson, J. F.;
7:15:6:1 Very large magnetoresistance and spin state transition in Ba-doped cobaltites
DOI:10.1063/1.4790316 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:6 AU: Troyanchuk, I. O.;Bushinsky, M. V.;Nikitin, A. V.;Lobanovsky, L. S.;Balagurov, A. M.;Sikolenko, V.;Efimov, V.;Sheptyakov, D. V.;
7:15:6:2 Possible Link of a Structurally Driven Spin Flip Transition and the Insulator-Metal Transition in the Perovskite La1-xBaxCoO3
DOI:10.1103/PhysRevLett.106.156407 JN:PHYSICAL REVIEW LETTERS PY:2011 TC:10 AU: Tong, Peng;Yu, Juan;Huang, Qingzhen;Yamada, Kazuyoshi;Louca, Despina;
7:15:6:3 Possible surface antiferromagnetism and no evidence for intergranular tunneling magnetoresistance in La0.5Sr0.5CoO3-delta cobaltites
DOI:10.1063/1.4838155 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Troyanchuk, I. O.;Bushinsky, M. V.;Lobanovsky, L. S.;
7:15:6:4 The ferromagnetic and antiferromagnetic phases in anion deficient La0.5-xPrxBa0.5CoO3-delta cobaltites
DOI:10.1063/1.4733953 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:8 AU: Troyanchuk, I. O.;Karpinsky, D. V.;Bushinsky, M. V.;Sikolenko, V.;Efimov, V.;Cervellino, A.;Raveau, B.;
7:15:6:5 Doping effects on the magnetic properties of La(0.5)Ba(0.5)Co(1-x)TixO(3)
DOI:10.1063/1.3561051 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:2 AU: Zhang, Shile;Zhang, Yuheng;Pi, Li;Tan, Shun;
7:15:7:1 Composition dependent magnetism in novel triple perovskite Sr3MFeMoO9 (M=Mn, Co, Ni)
DOI:10.1016/j.ceramint.2014.01.096 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Wang, Jin-Feng;Bin Hu;Zhang, Ji;Gu, Zheng-Bin;Zhang, Shan-Tao;
7:15:7:2 Preparation by sol-gel and solid state reaction methods and properties investigation of double perovskite Sr2FeMoO6
DOI:10.1016/j.jeurceramsoc.2013.03.026 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2013 TC:8 AU: Cernea, M.;Vasiliu, F.;Plapcianu, C.;Bartha, C.;Mercioniu, I.;Pasuk, I.;Lowndes, R.;Trusca, R.;Aldica, G. V.;Pintilie, L.;
7:15:7:3 Characterization of ferromagnetic double perovskite Sr2FeMoO6 prepared by various methods
DOI:10.1016/j.ceramint.2014.03.142 JN:CERAMICS INTERNATIONAL PY:2014 TC:2 AU: Cernea, M.;Vasiliu, F.;Bartha, C.;Plapcianu, C.;Mercioniu, I.;
7:15:7:4 Cation order enhancement in Sr2FeMoO6 by water-saturated hydrogen reduction
DOI:10.1016/j.jeurceramsoc.2010.08.002 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2011 TC:6 AU: Calleja, Alberto;Capdevila, Xavier G.;Segarra, Merce;Frontera, Carles;Espiell, Ferran;
7:15:7:5 Significant Processing Parameters for Sintered Density, Phase Development, and Microstructure Observation of Sr2FeMoO6
DOI:10.1111/j.1551-2916.2009.03449.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:2 AU: Yang, Chao-Wei;Fang, Tsang-Tse;
7:15:7:6 Does scandium resemble transition or rare earth metals when it is grown on silicon surfaces?
DOI:10.1063/1.4776714 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:1 AU: Shiu, H. W.;Chang, L. Y.;Lou, J. L.;Wu, C. P.;Chen, C. -H.;
7:15:8:1 Effect of carrier doping on the formation and collapse of magnetic polarons in lightly hole-doped La1-xSrxCoO3
DOI:10.1103/PhysRevB.83.134430 JN:PHYSICAL REVIEW B PY:2011 TC:11 AU: Podlesnyak, A.;Ehlers, G.;Frontzek, M.;Sefat, A. S.;Furrer, A.;Straessle, Th.;Pomjakushina, E.;Conder, K.;Demmel, F.;Khomskii, D. I.;
7:15:8:2 Spin-state responses to light impurity substitution in low-spin perovskite LaCoO3
DOI:10.1103/PhysRevB.87.224409 JN:PHYSICAL REVIEW B PY:2013 TC:1 AU: Tomiyasu, Keisuke;Kubota, Yuuki;Shimomura, Saya;Onodera, Mitsugi;Koyama, Syun-Ichi;Nojima, Tsutomu;Ishihara, Sumio;Nakao, Hironori;Murakami, Youichi;
7:15:8:3 Observation of a Griffiths-like phase in Ca-doped cobaltites
DOI:10.1063/1.4826632 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Zhou, S. M.;Li, Y.;Guo, Y. Q.;Zhao, J. Y.;Cai, X.;Shi, L.;
7:15:8:4 Magnetic-field effects on Jahn-Teller distortion in ferroelastic magnetic insulator Fe1-xMnxCr2O4
DOI:10.1063/1.3631751 JN:APPLIED PHYSICS LETTERS PY:2011 TC:2 AU: Sagayama, H.;Ohtani, S.;Saito, M.;Abe, N.;Taniguchi, K.;Arima, T.;
7:15:8:5 Nature of magnetoelastic coupling with the isovalent substitution at the B-site in LaCo1-yByO3
DOI:10.1103/PhysRevB.82.224101 JN:PHYSICAL REVIEW B PY:2010 TC:4 AU: Yu, J.;Kamazawa, K.;Louca, Despina;
7:15:9:1 Crystal field parameters with Wannier functions: Application to rare-earth aluminates
DOI:10.1103/PhysRevB.87.205139 JN:PHYSICAL REVIEW B PY:2013 TC:5 AU: Novak, P.;Knizek, K.;Kunes, J.;
7:15:9:2 Crystal field and magnetism with Wannier functions: Orthorhombic rare-earth manganites
DOI:10.1016/j.jmmm.2014.01.076 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:4 AU: Novak, P.;Nekvasil, V.;Knizek, K.;
7:15:9:3 Study of crystal-field excitations and Raman active phonons in o-DyMnO3
DOI:10.1016/j.jmmm.2010.12.031 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:4 AU: Jandl, S.;Mansouri, S.;Mukhin, A. A.;YuIvanov, V.;Balbashov, A.;Gospodino, M. M.;Nekvasil, V.;Orlita, M.;
7:15:9:4 Magnetism of perovskite cobaltites with Kramers rare-earth ions
DOI:10.1063/1.4862946 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Jirak, Z.;Hejtmanek, J.;Knizek, K.;Novak, P.;Santava, E.;Fujishiro, H.;
7:15:9:5 Crystal field of rare earth impurities in LaF3
DOI:10.1016/j.optmat.2014.07.001 JN:OPTICAL MATERIALS PY:2014 TC:2 AU: Novak, P.;Kunes, J.;Knizek, K.;
7:15:9:6 Magnetic properties and anisotropy of orthorhombic DyMnO3 single crystal
DOI:10.1016/j.jmmm.2013.01.036 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:2 AU: Pekala, M.;Wolff-Fabris, F.;Fagnard, J-F.;Vanderbemden, Ph.;Mucha, J.;Gospodinov, M. M.;Lovchinov, V.;Ausloos, M.;
7:15:10:1 Stabilization of the high-spin state of Co3+ in LaCo1-xRhxO3
DOI:10.1103/PhysRevB.85.134401 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Knizek, K.;Hejtmanek, J.;Marysko, M.;Jirak, Z.;Bursik, J.;
7:15:10:2 Magnetic and transport properties of the spin-state disordered oxide La0.8Sr0.2Co1-xRhxO3-delta
DOI:10.1103/PhysRevB.83.094405 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Shibasaki, Soichiro;Terasaki, Ichiro;Nishibori, Eiji;Sawa, Hiroshi;Lybeck, Jenni;Yamauchi, Hisao;Karppinen, Maarit;
7:15:10:3 Ga3+ substitution effects in the weak ferromagnetic oxide LaCo0.8Rh0.2O3
DOI:10.1103/PhysRevB.86.014421 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Asai, Shinichiro;Furuta, Noriyasu;Okazaki, Ryuji;Yasui, Yukio;Terasaki, Ichiro;
7:15:10:4 Structural and semiconductor-to-metal transitions of double-perovskite cobalt oxide Sr2-xLaxCoTiO6-delta with enhanced thermoelectric capability
DOI:10.1063/1.3623476 JN:APPLIED PHYSICS LETTERS PY:2011 TC:4 AU: Sugahara, Tohru;Ohtaki, Michitaka;
7:15:10:5 Unconventional magnetism in the layered oxide LaSrRhO4
DOI:10.1103/PhysRevB.90.144402 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Furuta, Noriyasu;Asai, Shinichiro;Igarashi, Taichi;Okazaki, Ryuji;Yasui, Yukio;Terasaki, Ichiro;Ikeda, Masami;Fujita, Takahito;Hagiwara, Masayuki;Kobayashi, Kensuke;Kumai, Reiji;Nakao, Hironori;Murakami, Youichi;
7:15:11:1 Competitive and Combining Effects of Grain Boundary and Fe/Mo Antisite Defects on the Low-Field Magnetoresistance in Sr2FeMoO6
DOI:10.1111/jace.12749 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2014 TC:0 AU: Wang, Jin-Feng;Li, Zheng;Xu, Xi-Jun;Gu, Zheng-Bin;Yuan, Guo-Liang;Zhang, Shan-Tao;
7:15:11:2 Giant magnetoresistance and table-like magnetocaloric effect in double perovskite oxide PrSrMnCoO6
DOI:10.1063/1.3556716 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Mahato, Rabindra Nath;Sethupathi, K.;Sankaranarayanan, V.;Nirmala, R.;Nigam, A. K.;Malik, S. K.;
7:15:11:3 La-doping effects on structural, electronic and magnetic properties of Sa(2-x)La(x)CrMO(6) (M = Mo, Nb): LMTO-PLW plus (LSDA plus U) study
DOI:10.1016/j.matchemphys.2014.01.014 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2014 TC:0 AU: Saad, H. -E. M. Musa;
7:15:11:4 Synthesis, magnetic and electrical transport properties of magnetoresistance material Sr2FeMoO6 by microwave sintering
DOI:10.1016/j.jmmm.2012.01.029 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:3 AU: Zhai, Yongqing;Qiao, Jing;Huo, Guoyan;Han, Shaoqiang;
7:15:11:5 Magnetic properties and magnetoresistance effect of Pb2FeMoO6
DOI:10.1063/1.4817584 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Yuan, Xueping;Xu, Mingxiang;Chen, Yanbin;
7:15:12:1 Spin-state transitions in PrCoO3 studied with neutron powder diffraction
DOI:10.1103/PhysRevB.84.214409 JN:PHYSICAL REVIEW B PY:2011 TC:4 AU: Ren, Y.;Yan, J. -Q.;Zhou, J. -S.;Goodenough, J. B.;Jorgensen, J. D.;Short, S.;Kim, H.;Proffen, Th.;Chang, S.;McQueeney, R. J.;
7:15:12:2 Spin-state transitions in PrCoO3 investigated by neutron scattering
DOI:10.1103/PhysRevB.84.132410 JN:PHYSICAL REVIEW B PY:2011 TC:3 AU: Yu, J.;Phelan, D.;Louca, Despina;
7:15:12:3 Spin-state transition in Ba2Co9O14
DOI:10.1103/PhysRevB.85.094424 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Cheng, J. -G.;Zhou, J. -S.;Hu, Z.;Suchomel, M. R.;Chin, Y. Y.;Kuo, C. Y.;Lin, H. -J.;Chen, J. M.;Pi, D. W.;Chen, C. T.;Takami, T.;Tjeng, L. H.;Goodenough, J. B.;
7:15:13:1 Acceleration of domain wall movement by photoirradiation in perovskite-type cobaltite
DOI:10.1103/PhysRevB.83.161101 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Okimoto, Y.;Kurashima, M.;Seko, K.;Ishikawa, T.;Onda, K.;Koshihara, S.;Kyomen, T.;Itoh, M.;
7:15:13:2 Interplay of 3d-4f exchange interaction in Pr0.5-xNdxSr0.5CoO3
DOI:10.1063/1.4798503 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Kumar, Pawan;Aparnadevi, M.;Mahendiran, R.;
7:15:14:1 An investigation of the Fe and Mo oxidation states in Sr2Fe2-xMoxO6 (0.25 <= x <= 1.0) double perovskites by X-ray absorption spectroscopy
DOI:10.1016/j.jallcom.2012.05.056 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2012 TC:5 AU: Hayes, John R.;Grosvenor, Andrew P.;
7:15:14:2 The electronic and magnetic properties of Sr2MnNbO6, Sr2FeMoO6 and Sr2NiRuO6 double perovskites: An LSDA plus U plus SOC study
DOI:10.1016/j.jallcom.2010.07.029 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:5 AU: Yousif, Salah Eldin Ashamallah;Yassin, O. A.;
7:15:14:3 Diffraction and spectroscopic study of pyrochlores Bi2-xFe1+xSbO7
DOI:10.1016/j.jallcom.2013.11.226 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2014 TC:2 AU: Zhou, Qingdi;Blanchard, Peter E. R.;Kennedy, Brendan J.;Ling, Chris D.;Liu, Samuel;Avdeev, Max;Aitken, Jade B.;Tadich, Anton;Brand, Helen E. A.;
7:15:15:1 Growth of Sr2FeMoO6 Based Tri-layer Structure for Room Temperature Magnetoresistive Applications
DOI:10.1080/10584587.2014.912088 JN:INTEGRATED FERROELECTRICS PY:2014 TC:0 AU: Kumar, Nitu;Misra, P.;Kotnala, R. K.;Gaur, Anurag;Katiyar, R. S.;
7:15:15:2 Polycrystalline Sr2FeMoO6 thin films on Si substrate by pulsed laser deposition for magnetoresistive applications
DOI:10.1016/j.matlet.2013.11.113 JN:MATERIALS LETTERS PY:2014 TC:2 AU: Kumar, Nitu;Misra, P.;Kotnala, R. K.;Gaur, Anurag;Rawat, R.;Choudhary, R. J.;Katiyar, R. S.;
7:15:15:3 Optimization of deposition temperature and atmosphere for pulsed laser deposited Sr2FeMoO6 thin films
DOI:10.1016/j.tsf.2011.06.059 JN:THIN SOLID FILMS PY:2011 TC:5 AU: Paturi, P.;Metsanoja, M.;Huhtinen, H.;
7:16:1:1 Raman spectroscopy of piezoelectrics
DOI:10.1063/1.4803740 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Pezzotti, Giuseppe;
7:16:1:2 Raman tensor elements for wurtzitic GaN and their application to assess crystallographic orientation at film/substrate interfaces
DOI:10.1063/1.3606419 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:11 AU: Pezzotti, Giuseppe;Sueoka, Hiroyuki;Porporati, Alessandro Alan;Manghnani, Murli;Zhu, Wenliang;
7:16:1:3 Spectroscopic Assessments of Domain Texture in Barium Titanate: 1. Confocal Raman Polarization Analysis
DOI:10.1111/j.1551-2916.2009.03340.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:12 AU: Pezzotti, Giuseppe;Matsutani, Atsuo;Zhu, Wenliang;
7:16:1:4 Validating Raman spectroscopic calibrations of phonon deformation potentials in silicon single crystals: A comparison between ball-on-ring and micro-indentation methods
DOI:10.1063/1.3656447 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:10 AU: Miyatake, Takahiro;Pezzotti, Giuseppe;
7:16:1:5 Raman spectroscopic calibrations of phonon deformation potentials in wurtzitic AlN
DOI:10.1063/1.4768208 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Zhu, Wenliang;Leto, Andrea;Hashimoto, Ken-ya;Pezzotti, Giuseppe;
7:16:1:6 Raman analysis of three-dimensionally graded stress tensor components in sapphire
DOI:10.1063/1.3559871 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:7 AU: Zhu, Wenliang;Pezzotti, Giuseppe;
7:16:1:7 Ball-on-ring test in ceramic materials revisited by means of fluorescence piezospectroscopy
DOI:10.1016/j.jeurceramsoc.2011.05.009 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2011 TC:8 AU: Porporati, Alessandro Alan;Miyatake, Takahiro;Schilcher, Kristina;Zhu, Wenliang;Pezzotti, Giuseppe;
7:16:1:8 Raman tensor analysis of ultra-high molecular weight polyethylene and its application to study retrieved hip joint components
DOI:10.1016/j.actbio.2010.02.051 JN:ACTA BIOMATERIALIA PY:2010 TC:19 AU: Takahashi, Yasuhito;Puppulin, Leonardo;Zhu, Wenliang;Pezzotti, Giuseppe;
7:16:1:9 Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy
DOI:10.1080/00150193.2011.594774 JN:FERROELECTRICS PY:2011 TC:4 AU: Berth, Gerhard;Hahn, Wjatscheslaw;Wiedemeier, Volker;Zrenner, Artur;Sanna, Simone;Schmidt, Wolf Gero;
7:16:1:10 Structural and micromechanical analyses by polarized Raman spectroscopy of wurtzitic GaN films grown on (0001) sapphire substrates
DOI:10.1063/1.4751026 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Zhu, Wenliang;Park, Sungkyun;Okumura, Yuji;Leto, Andrea;Pezzotti, Giuseppe;
7:16:1:11 Evaluation of critical stress intensity for crack initiation and rising R-curve behavior in wurtzitic AlN film grown on (001)Si substrate
DOI:10.1016/j.tsf.2013.04.081 JN:THIN SOLID FILMS PY:2013 TC:2 AU: Zhu, Wenliang;Leto, Andrea;Hashimoto, Ken-ya;Pezzotti, Giuseppe;
7:16:1:12 Raman Tensor Analysis of Crystalline Lead Titanate by Quantitative Polarized Spectroscopy
DOI:10.1080/00150193.2014.890470 JN:FERROELECTRICS PY:2014 TC:0 AU: Fujii, Y.;Noju, M.;Shimizu, T.;Taniguchi, H.;Itoh, M.;Nishio, I.;
7:16:1:13 Stress tensor dependence of the polarized Raman spectrum of tetragonal barium titanate
DOI:10.1063/1.3672833 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Pezzotti, Giuseppe;Okai, Keisuke;Zhu, Wenliang;
7:16:2:1 Growth and characterization of epitaxial (La2/3Sr1/3)MnO3 films by pulsed laser deposition
DOI:10.1016/j.ceramint.2011.06.009 JN:CERAMICS INTERNATIONAL PY:2011 TC:13 AU: Liu, Dan;Liu, Wei;
7:16:2:2 Effects of the structural layer in MEMS substrates on mechanical and electrical properties of Pb(Zr0.52Ti0.48)O-3 films
DOI:10.1016/j.ceramint.2011.04.125 JN:CERAMICS INTERNATIONAL PY:2011 TC:7 AU: Liu, Dan;Zhou, Bo;Yoon, Sang H.;Wikle, Howard C., III;Wang, Yaqi;Park, Minseo;Prorok, Barton C.;Kim, Dong-Joo;
7:16:2:3 Effect of nitrogen concentration to the structural, chemical and electrical properties of tantalum zirconium nitride films
DOI:10.1016/j.ceramint.2011.11.079 JN:CERAMICS INTERNATIONAL PY:2012 TC:5 AU: Tang, Z. Z.;
7:16:2:4 Determination of the True Young's Modulus of Pb(Zr0.52Ti0.48)O-3 Films by Nanoindentation: Effects of Film Orientation and Substrate
DOI:10.1111/j.1551-2916.2011.04867.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:8 AU: Liu, Dan;Zhou, Bo;Yoon, Sang H.;Kim, Seon-Bae;Ahn, Hosang;Prorok, Barton C.;Kim, Seung-Hyun;Kim, Dong-Joo;
7:16:2:5 Room temperature ultrahigh magnetoresistance nanostructure (La2/3Sr1/3)MnO3 films growth on SrTiO3 substrate
DOI:10.1016/j.ceramint.2011.10.017 JN:CERAMICS INTERNATIONAL PY:2012 TC:8 AU: Liu, Dan;Liu, Wei;
7:16:2:6 A new paradigm in thin film indentation
DOI:10.1557/JMR.2010.0228 JN:JOURNAL OF MATERIALS RESEARCH PY:2010 TC:13 AU: Zhou, Bo;Prorok, Barton C.;
7:16:2:7 Properties of heavily W-doped TiO2 films deposited on Al2O3-deposited glass by simultaneous rf and dc magnetron sputtering
DOI:10.1016/j.ceramint.2013.05.126 JN:CERAMICS INTERNATIONAL PY:2014 TC:0 AU: Lin, Su-Shia;
7:16:2:8 Effects of the Ta content on the microstructure and electrical property of reactively sputtered TaxZr1-xN thin films
DOI:10.1016/j.tsf.2011.01.066 JN:THIN SOLID FILMS PY:2011 TC:3 AU: Ruan, Jian-Long;Huang, Jow-Lay;Lu, Horng-Hwa;Chen, J. S.;Lii, Ding-Fwu;
7:16:3:1 Evaluation on residual stress in Bi-3.15(Eu0.7Nd0.15)Ti3O12 polycrystalline ferroelectric thin film by using the orientation average method
DOI:10.1063/1.4769811 JN:APPLIED PHYSICS LETTERS PY:2012 TC:3 AU: Wei, Y.;Cheng, H. B.;Wang, X. Y.;Zheng, X. J.;
7:16:3:2 Effect of grain orientation in x-ray diffraction pattern on residual stress in polycrystalline ferroelectric thin film
DOI:10.1063/1.4748052 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:6 AU: Xu, L. H.;Jiang, D. D.;Zheng, X. J.;
7:16:3:3 Determination of residual stress in PZT films produced by laser ablation with X-ray diffraction and Raman spectroscopy
DOI:10.1016/j.jeurceramsoc.2009.09.003 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:13 AU: Rodrigues, S. A. S.;Rolo, A. G.;Khodorov, A.;Pereira, M.;Gomes, M. J. M.;
7:16:3:4 Residual stress of Pb(ZrxTi1-x)O-3 films with mixed textures
DOI:10.1016/j.jallcom.2010.06.170 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2010 TC:5 AU: Wang, J. N.;Li, W. L.;Feng, B.;Liu, C. Q.;Li, X. L.;Sun, Q.;Fei, W. D.;
7:16:3:5 Microstress relaxation effect of Pb(Zr0.52Ti0.48)O-3 films with thicknesses for micro/nanopiezoelectric device
DOI:10.1063/1.3330897 JN:APPLIED PHYSICS LETTERS PY:2010 TC:8 AU: Lee, Jeong Hoon;Hwang, Kyo Seon;Kim, Tae Song;
7:16:3:6 Dependence of lattice distortion of monoclinic phase on film thickness in Pb(Zr0.58Ti0.42)O-3 thin films
DOI:10.1016/j.jallcom.2010.12.061 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:3 AU: Wang, J. N.;Wang, L. D.;Li, W. L.;Fei, W. D.;
7:16:3:7 Preparation and Ferroelectric Properties of Ho3+/Mo6+ Cosubstituted Bi4Ti3O12 Thin Films by Sol-Gel Method
DOI:10.1007/s11664-009-0976-z JN:JOURNAL OF ELECTRONIC MATERIALS PY:2010 TC:5 AU: Fu, Chengju;Huang, Zhixiong;Li, Jie;Guo, Dongyun;
7:16:4:1 In situ Raman spectroscopy for characterization of the domain contributions to electrical and piezoelectric responses in Pb(Zr, Ti)O-3 films
DOI:10.1063/1.3502591 JN:APPLIED PHYSICS LETTERS PY:2010 TC:8 AU: Nakajima, Mitsumasa;Nakaki, Hiroshi;Ehara, Yoshitaka;Yamada, Tomoaki;Nishida, Ken;Yamamoto, Takashi;Osada, Minoru;Funakubo, Hiroshi;
7:16:4:2 Spontaneous polarization estimation from the soft mode in strain-free epitaxial polar axis-oriented Pb(Zr,Ti)O-3 thick films with tetragonal symmetry
DOI:10.1063/1.3575565 JN:APPLIED PHYSICS LETTERS PY:2011 TC:8 AU: Ehara, Yoshitaka;Utsugi, Satoru;Nakajima, Mitsumasa;Yamada, Tomoaki;Iijima, Takashi;Taniguchi, Hiroki;Itoh, Mitsuru;Funakubo, Hiroshi;
7:16:4:3 Impact of pulse poling on static and dynamic ferroelastic-domain contributions in tetragonal Pb( Ti, Zr)O-3 films determined by in-situ x-ray diffraction analysis
DOI:10.1063/1.4898321 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Nakajima, Mitsumasa;Wada, Ayumi;Yamada, Tomoaki;Ehara, Yoshitaka;Kobayashi, Takeshi;Funakubo, Hiroshi;
7:16:4:4 Enhancement of piezoelectric response in (100)/(001) oriented tetragonal Pb(Zr, Ti)O-3 films by controlling tetragonality and volume fraction of the (001) orientation
DOI:10.1063/1.3581190 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Nakajima, Mitsumasa;Okamoto, Syoji;Nakaki, Hiroshi;Yamada, Tomoaki;Funakubo, Hiroshi;
7:16:4:5 Noncontact probing method for estimation of ferroelectric properties of PbTiO3-based films for microelectromechanical systems
DOI:10.1557/jmr.2012.100 JN:JOURNAL OF MATERIALS RESEARCH PY:2012 TC:0 AU: Ehara, Yoshitaka;Utsugi, Satoru;Nakajima, Mitsumasa;Chentir, Mohamed-Tahar;Yamada, Tomoaki;Iijima, Takashi;Nishida, Ken;Yamamoto, Takashi;Funakubo, Hiroshi;
7:16:4:6 Spontaneous polarization estimation from the soft mode in strain-free epitaxial polar axis-oriented Pb(Zr,Ti)O-3 thick films with tetragonal symmetry (vol 98, 141914, 2011)
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7:16:4:7 Direct observation of intrinsic piezoelectricity of Pb(Zr,Ti)O-3 by time-resolved x-ray diffraction measurement using single-crystalline films
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7:16:5:1 Materials synthesis and annealing-induced changes of microstructure and physical properties of one-dimensional perovskite-wurtzite oxide heterostructures
DOI:10.1016/j.apsusc.2013.06.134 JN:APPLIED SURFACE SCIENCE PY:2013 TC:2 AU: Liang, Yuan-Chang;Zhong, Hua;
7:16:5:2 Lateral parameter variations on the properties of La0.7Sr0.3MnO3 films prepared on Si (100) substrates by dc magnetron sputtering
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7:16:5:3 Influence of annealing temperature on morphological and magnetic properties of La0.9Sr0.1MnO3
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7:16:5:4 Studies on morphological and magnetic properties of La1-xSrxMnO3
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7:16:5:5 Investigation on the coupling effect of thermochromism and microstructure on spectral properties of structured surfaces
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7:16:5:6 Self-assembled antidots in La2/3Sr1/3MnO3 thin films
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7:16:6:1 Effect of sample size on intermetallic Al2Cu microstructure and orientation evolution during directional solidification
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7:16:6:2 Structure and electrical properties of AlN films prepared on PZT layers with different orientations
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7:16:6:3 Application of differential thermal analysis to investigation of magnetic field effect on solidification of Al-Cu hypereutectic alloy
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7:16:6:4 Influence of plasma pressure on the growth characteristics and ferroelectric properties of sputter-deposited PZT thin films
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7:16:6:5 High resolution X-ray and electron microscopy characterization of PZT thin films prepared by RF magnetron sputtering
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7:16:6:6 Characterization of RF Sputter-Deposited Ultra Thin PZT Films and Its Interface With Substrate
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7:16:7:1 Influence of small cyclic and DC electrical loads on the fracture toughness of ferroelectric ceramics
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7:16:7:2 Conducting crack propagation driven by electric fields in ferroelectric ceramics
DOI:10.1016/j.actamat.2013.07.050 JN:ACTA MATERIALIA PY:2013 TC:4 AU: Abdollahi, Amir;Arias, Irene;
7:16:7:3 Three-dimensional simulation of crack propagation in ferroelectric polycrystals: Effect of combined toughening mechanisms
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7:16:7:4 The effect of strain and dead layer on the nonlinear electric-mechanical behavior of ferroelectric thin films
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7:16:7:5 Evaluation of electromechanical fracture behavior by configurational forces in cracked ferroelectric polycrystals
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7:16:7:6 Effective permittivity of air-filled cracks in piezoelectric ceramics due to crack bridging
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7:16:7:7 Phase-field model for dielectric breakdown in solids
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7:16:8:1 Characterization of Domains Reorientation in Multilayer Piezoelectric Ceramic Actuators by Polarized Raman Spectroscopy
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7:16:8:2 Investigation of the domain switching zone near a crack tip in pre-poled lead zirconate titanate ceramic via in situ X-ray diffraction
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7:16:8:3 Temperature Dependence on Domain Switching Behavior in Lead Zirconate Titanate Under Electrical Load via In Situ Neutron Diffraction
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7:16:8:4 Electrical Fatigue-Induced Cracking in Lead Zirconate Titanate Piezoelectric Ceramic and Its Influence Quantitatively Analyzed by Refatigue Method
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7:16:8:5 Investigation of Partial Discharge and Fracture Strength in Piezoelectric Ceramics
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7:16:8:6 Dynamic processes of domain switching in lead zirconate titanate under cyclic mechanical loading by in situ neutron diffraction
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7:16:8:7 Enhancement of fatigue endurance in ferroelectric PZT ceramic by the addition of bismuth layered SBT
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7:16:9:1 Raman spectroscopy for the investigation of indentation-induced domain texturing in lead zirconate titanate piezoceramics
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7:16:9:2 Field-induced domain switching in BaTiO3-based multilayer ceramic capacitors observed by polarized Raman spectroscopy
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7:16:9:3 Fracture resistance of a doped PZT ceramic for multilayer piezoelectric actuators: Effect of mechanical load and temperature
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7:16:9:4 Modelling of the ferroic material behaviour of piezoelectrics: Characterisation of temperature-sensitive functional properties
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7:16:9:5 A quick method to determine the capacitance characteristics of thin layer X5R multilayer capacitors
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7:16:9:6 Study of the Factors Affecting the Mechanical, Electrical, and Piezoelectric Properties of PZT Micro-Actuator
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7:16:10:1 Spherical solid He nanometer bubbles in an anisotropic complex oxide
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7:16:10:2 Twinning and dislocation pileups in heavily implanted LiNbO3
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7:16:10:3 Nanoscale Strain Engineering on the Surface of a Bulk TiO2 Crystal
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7:16:10:4 Spherical solid He nanometer bubbles in an anisotropic complex oxide (vol 82, 104113, 2010)
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7:16:10:5 Planar single-crystal thin-films of YAG obtained by ion implantation and thermal exfoliation: Mechanical properties
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7:16:11:1 YAl3(BO3)(4): Crystal growth and characterization
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7:16:11:2 Tuning the morphology of lead zirconate titanate (PZT) nanostructures
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7:16:11:3 Temperature anomalies of the laser stimulated elastooptical effect in PbZrO3 single crystals
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7:16:11:4 Ultraviolet vacuum ultraviolet optical functions for SrTiO3 and NdGaO3 crystals determined by spectroscopic ellipsometry
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7:16:11:5 Quality of the rare earth aluminum borate crystals for laser applications, probed by high-resolution spectroscopy of the Yb3+ ion
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7:16:11:6 Laser-induced, second-order optical susceptibilities of YAB:Cr3+ single crystals
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7:16:12:1 Investigation of fracture toughness of modified (KxNa1-x)NbO3 lead-free piezoelectric ceramics
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7:16:12:2 Fracture toughness and corrosion behaviour of infiltrated Al2O3IP) - Steel composites
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7:16:12:3 Influence of finite notch root radius and optically determined crack length on the measured fracture toughness of brittle materials
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7:16:12:4 Influence of microstructural features on the impact toughness of infiltrated Al(2)O(3 vertical bar)p-steel composites
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7:16:12:5 X-ray analysis of phase coexistence and electric poling processing in alkaline niobate-based compositions
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7:16:13:1 Mechanism of hydrothermal growth of ferroelectric PZT nanowires
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7:16:13:2 Structure Determination and Compositional Modification of Body-Centered Tetragonal PX-Phase Lead Titanate
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7:16:13:3 Synchrotron X-ray diffraction study on a single nanowire of PX-phase lead titanate
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7:16:13:4 Analysis of composition homogeneity and polarization orientation of PZT submicron fibers by micro-Raman spectroscopy
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7:16:13:5 Microwave-hydrothermal synthesis and structural characterization of PX-phase single-crystalline PbTiO3 nanowires by electron microscopy
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7:16:14:1 Characterization of Er3+ and Nd3+ doped Strontium Barium Niobate glass ceramic as temperature sensors
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7:16:14:2 Waveguide and Raman spectroscopic visualization in C-implanted Ca0.20Ba0.80Nb2O6 crystal
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7:16:14:3 Micro-Raman spectroscopic visualization of lattice vibrations and strain in He+ - implanted single-crystal LiNbO3
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7:16:14:4 Fabrication and Characterization of Silicon Microchannel Plates as Temperature-Sensing Materials
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7:16:14:5 1 x 4-Branch waveguide power splitters in lithium niobate by means of multi-energy O ion implantation
DOI:10.1016/j.optmat.2010.05.016 JN:OPTICAL MATERIALS PY:2010 TC:6 AU: Zhao, Jin-Hua;Wang, Xue-Lin;Chen, Feng;
7:16:15:1 Influence of processing parameters on the growth characteristics and ferroelectric properties of sputtered PZT thin films on stainless steel substrates
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7:16:15:2 Reproducibility and Ferroelectric Fatigue of Lead Zirconate Titanate Thin Films Deposited Directly on Copper Via a Composite Gel Architecture
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7:16:15:3 Switching-induced charge injection inducing fatigue in lead zirconate titanium thin films
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7:16:15:4 Role of TiO2 Seed Layer Thickness on the Nanostructure Evolution and Phase Transformation Behavior of Sputtered PZT Thin Films During Post-Deposition Air-Annealing
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7:16:15:5 Influence of processing conditions on the structure, composition and ferroelectric properties of sputtered PZT thin films on Ti-substrates
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7:16:16:1 mu-Raman spectroscopy characterization of LiNbO3 femtosecond laser written waveguides
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7:16:16:2 MATFESA: strain and refractive index field estimation after femtosecond laser interaction with transparent material
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7:16:16:3 Computation of the expansion parameters of femto-waveguides using a two dimensional mu-Raman map and guided modes
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7:16:16:4 A 2D mu-Raman analysis of low repetition rate femto-waveguides in lithium niobate by using a finite element model
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7:16:16:5 Hydrostatic-pressure dependence of Raman-active optical phonons in Nd:Mg:LiNbO3
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7:16:17:1 Deformation and stress at pop-in of lithium niobate induced by nanoindentation
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7:16:17:2 Effect of additives for higher removal rate in lithium niobate chemical mechanical planarization
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7:16:17:3 Contribution of stacking fault in lowering the theoretical density of nickel
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7:16:18:1 Reliability enhancement in nickel-particle-dispersed alkaline niobate piezoelectric composites and actuators
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7:16:18:2 Electrical properties of Ni-particle-dispersed alkaline niobate composites sintered in a protective atmosphere
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7:16:18:3 Electrical properties tailoring in Ni-particle-dispersed (Ba0.95Ca0.05)(Ti0.96Zr0.04)O-3 composites
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7:16:18:4 Sintering and electrical properties of Cu-particle-dispersed (Na,K,Li)NbO3
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7:16:19:1 First principles calculations of hydrogen-induced decrease in the cohesive strength of alpha-Al2O3 single crystals
DOI:10.1016/j.commatsci.2011.10.038 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2012 TC:0 AU: Huang, Hai-You;Wu, Ming;
7:16:19:2 Effect of humidity and hydrogen on the promotion of indentation crack growth in lead-free ferroelectric ceramics
DOI:10.1016/j.mseb.2010.01.048 JN:MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE PY:2010 TC:4 AU: Zhang, H. J.;Li, J. X.;Chu, W. Y.;Su, Y. J.;Qiao, L. J.;
7:16:19:3 Alignment of Ba-O divacancies as a mechanism for polarization imprint in BaTiO3 as revealed by first principles and classical molecular dynamics simulations
DOI:10.1063/1.3367751 JN:APPLIED PHYSICS LETTERS PY:2010 TC:4 AU: Ma, Ying;Liu, Bainian;Zhou, Yichun;Ding, Jianwen;
7:16:19:4 Single Vacancies and Vacancy Pairs in Tetragonal BaTiO3: A First Principles Study
DOI:10.1080/00150191003670374 JN:FERROELECTRICS PY:2010 TC:1 AU: Liu, Bainian;Ma, Ying;Zhou, Yichun;Ding, Jianwen;
7:17:1:1 BaMgF 4: An Ultra- Transparent Two- Dimensional Nonlinear Photonic Crystal with Strong. (3) Response in the UV Spectral Region
DOI:10.1002/adfm.201302588 JN:ADVANCED FUNCTIONAL MATERIALS PY:2014 TC:4 AU: Mateos, Luis;Ramirez, Mariola O.;Carrasco, Irene;Molina, Pablo;Galisteo-Lopez, Juan F.;Villora, Encarnacion G.;de las Heras, Carmen;Shimamura, Kiyoshi;Lopez, Cefe;Bausa, Luisa E.;
7:17:1:2 Micro-spectroscopic characterization of ferroelectric domain structures in Yb3+: LiNbO3 prepared by electron beam writing
DOI:10.1364/OME.4.001077 JN:OPTICAL MATERIALS EXPRESS PY:2014 TC:4 AU: Mateos, Luis;Bausa, Luisa E.;Ramirez, Mariola O.;
7:17:1:3 Multifunctional solid state lasers based on ferroelectric crystals
DOI:10.1016/j.optmat.2011.03.016 JN:OPTICAL MATERIALS PY:2012 TC:13 AU: Ramirez, M. O.;Molina, P.;Bausa, L. E.;
7:17:1:4 Spontaneous Emission and Nonlinear Response Enhancement by Silver Nanoparticles in a Nd3+-Doped Periodically Poled LiNbO3 Laser Crystal
DOI:10.1002/adma.201203176 JN:ADVANCED MATERIALS PY:2013 TC:11 AU: Yraola, Eduardo;Molina, Pablo;Plaza, Jose L.;Ramirez, Mariola O.;Bausa, Luisa E.;
7:17:1:5 Two dimensional ferroelectric domain patterns in Yb3+ optically active LiNbO3 fabricated by direct electron beam writing
DOI:10.1063/1.4790149 JN:APPLIED PHYSICS LETTERS PY:2013 TC:6 AU: Mateos, L.;Bausa, L. E.;Ramirez, M. O.;
7:17:1:6 Directional dependence of the second harmonic response in two-dimensional nonlinear photonic crystals
DOI:10.1063/1.3459975 JN:APPLIED PHYSICS LETTERS PY:2010 TC:16 AU: Molina, P.;Ramirez, M. O.;Garcia, B. J.;Bausa, L. E.;
7:17:1:7 Blue SHG Enhancement by Silver Nanocubes Photochemically Prepared on a RbTiOPO4 Ferroelectric Crystal
DOI:10.1002/adma.201401603 JN:ADVANCED MATERIALS PY:2014 TC:0 AU: Sanchez-Garcia, Laura;Ramirez, Mariola O.;Molina, Pablo;Gallego-Gomez, Francisco;Mateos, Luis;Yraola, Eduardo;Carvajal, Joan J.;Aguilo, Magdalena;Diaz, Francesc;de las Heras, Carmen;Bausa, Luisa E.;
7:17:1:8 Neodymium doping in UV-IR transparent ferroelectric BaMgF4
DOI:10.1063/1.3294652 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:8 AU: Villora, E. G.;Molina, P.;Alvarez, S.;Garcia-Santizo, J. V.;Ramirez, M. O.;Shimamura, K.;Bausa, L. E.;
7:17:1:9 Homogeneous linewidth measurements of Yb3+ ions in congruent and stoichiometric lithium niobate crystals
DOI:10.1016/j.optmat.2014.09.022 JN:OPTICAL MATERIALS PY:2014 TC:0 AU: Kis, Zsolt;Mandula, Gabor;Lengyel, Krisztian;Hajdara, Ivett;Kovacs, Laszlo;Imlau, Mirco;
7:17:1:10 Local environment of optically active Nd3+ ions in the ultratransparent BaMgF4 ferroelectric crystal
DOI:10.1103/PhysRevB.85.184110 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Munoz-Santiuste, J. E.;Loro, H.;Marino, R.;Goldner, Ph.;Vasyliev, V.;Villora, E. G.;Shimamura, K.;Molina, P.;Ramirez, M. O.;Bausa, L. E.;
7:17:1:11 Optical spectroscopy of Yb3+ centers in BaMgF4 ferroelectric crystal
DOI:10.1063/1.3638040 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Garcia-Santizo, J. V.;del Rosal, B.;Ramirez, M. O.;Bausa, L. E.;Villora, E. G.;Molina, P.;Vasyliev, V.;Shimamura, K.;
7:17:1:12 Quasi-periodic self-assembled sub-micrometer ferroelectric bulk domain gratings in Rb-doped KTiOPO4
DOI:10.1063/1.4853315 JN:APPLIED PHYSICS LETTERS PY:2013 TC:1 AU: Zukauskas, Andrius;Pasiskevicius, Valdas;Canalias, Carlota;
7:17:1:13 Infrared to visible up conversion energy transfer confined at ordered micro-ring structures
DOI:10.1016/j.optmat.2012.03.013 JN:OPTICAL MATERIALS PY:2012 TC:0 AU: Mateos, L.;Garcia-Santizo, J. V.;Molina, P.;Deren, P. J.;Ramirez, M. O.;Bausa, L. E.;
7:17:1:14 Characterization of electron-beam recorded microdomain patterns on the nonpolar surface of LiNbO3 crystal by nondestructive methods
DOI:10.1063/1.4897279 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Kokhanchik, L. S.;Gainutdinov, R. V.;Mishina, E. D.;Lavrov, S. D.;Volk, T. R.;
7:17:2:1 Photoreduction of SERS-Active Metallic Nanostructures on Chemically Patterned Ferroelectric Crystals
DOI:10.1021/nn3025145 JN:ACS NANO PY:2012 TC:21 AU: Carville, N. Craig;Manzo, Michele;Damm, Signe;Castiella, Marion;Collins, Liam;Denning, Denise;Weber, Stefan A. L.;Gallo, Katia;Rice, James H.;Rodriguez, Brian J.;
7:17:2:2 Photoinduced Ag deposition on periodically poled lithium niobate: Wavelength and polarization screening dependence
DOI:10.1063/1.3580509 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:20 AU: Sun, Yang;Nemanich, Robert J.;
7:17:2:3 Direct shape control of photoreduced nanostructures on proton exchanged ferroelectric templates
DOI:10.1063/1.4789412 JN:APPLIED PHYSICS LETTERS PY:2013 TC:3 AU: Balobaid, Laila;Carville, N. Craig;Manzo, Michele;Gallo, Katia;Rodriguez, Brian J.;
7:17:2:4 Selective Plasmon Enhancement of the 1.08 mu m Nd3+ Laser Stark Transition by Tailoring Ag Nanoparticles Chains on a PPLN Y-cut
DOI:10.1021/nl4028999 JN:NANO LETTERS PY:2013 TC:4 AU: Molina, Pablo;Yraola, Eduardo;Ramirez, Mariola O.;Plaza, Jose L.;de las Heras, Carmen;Bausa, Luisa E.;
7:17:2:5 Electrostatic control of the domain switching dynamics in congruent LiNbO3 via periodic proton-exchange
DOI:10.1063/1.3571559 JN:APPLIED PHYSICS LETTERS PY:2011 TC:10 AU: Manzo, Michele;Laurell, Fredrik;Pasiskevicius, Valdas;Gallo, Katia;
7:17:2:6 Photoreduction of metal nanostructures on periodically proton exchanged MgO-doped lithium niobate crystals
DOI:10.1063/1.4827541 JN:APPLIED PHYSICS LETTERS PY:2013 TC:2 AU: Balobaid, Laila;Carville, N. Craig;Manzo, Michele;Collins, Liam;Gallo, Katia;Rodriguez, Brian J.;
7:17:2:7 Photo-induced Ag deposition on periodically poled lithium niobate: Concentration and intensity dependence
DOI:10.1063/1.3647752 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:12 AU: Sun, Yang;Eller, Brianna S.;Nemanich, Robert J.;
7:17:2:8 Growth mechanism of photoreduced silver nanostructures on periodically proton exchanged lithium niobate: Time and concentration dependence
DOI:10.1063/1.4801963 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:4 AU: Carville, N. Craig;Manzo, Michele;Denning, Denise;Gallo, Katia;Rodriguez, Brian J.;
7:17:2:9 Nanoscale characterization of beta-phase HxLi1-xNbO3 layers by piezoresponse force microscopy
DOI:10.1063/1.4891352 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Manzo, Michele;Denning, Denise;Rodriguez, Brian J.;Gallo, Katia;
7:17:2:10 Photoinduced Ag-nanoparticle deposition on Fe-doped lithium niobate crystals
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7:17:2:11 Patterning of silver nanoparticles on visible light-sensitive Mn-doped lithium niobate photogalvanic crystals
DOI:10.1063/1.3622654 JN:APPLIED PHYSICS LETTERS PY:2011 TC:5 AU: Liu, Xiaoyan;Hatano, Hideki;Takekawa, Shunji;Ohuchi, Fumio;Kitamura, Kenji;
7:17:2:12 Study of Domain Kinetics in SBN Single Crystals in Electric Field Applied by Suspension of Silver Nanoparticles
DOI:10.1080/00150193.2013.778610 JN:FERROELECTRICS PY:2013 TC:1 AU: Tyurnina, A. E.;Shur, V. Ya;Kozin, R. V.;Shikhova, V. A.;Kuznetsov, D. K.;Mingaliev, E. A.;Pelegov, D. V.;Pinegina, O. A.;Ivleva, L. I.;
7:17:3:1 Lithium niobate X-cut, Y-cut, and Z-cut surfaces from ab initio theory
DOI:10.1103/PhysRevB.81.214116 JN:PHYSICAL REVIEW B PY:2010 TC:27 AU: Sanna, Simone;Schmidt, Wolf Gero;
7:17:3:2 Polarization-dependent water adsorption on the LiNbO3(0001) surface
DOI:10.1103/PhysRevB.86.205407 JN:PHYSICAL REVIEW B PY:2012 TC:5 AU: Sanna, S.;Hoelscher, R.;Schmidt, W. G.;
7:17:3:3 Atomic-resolution imaging of the polar (000(1)over-bar) surface of LiNbO3 in aqueous solution by frequency modulation atomic force microscopy
DOI:10.1103/PhysRevB.86.075468 JN:PHYSICAL REVIEW B PY:2012 TC:9 AU: Rode, S.;Hoelscher, R.;Sanna, S.;Klassen, S.;Kobayashi, K.;Yamada, H.;Schmidt, W. G.;Kuehnle, A.;
7:17:3:4 Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge
DOI:10.1016/j.apsusc.2014.01.104 JN:APPLIED SURFACE SCIENCE PY:2014 TC:5 AU: Sanna, S.;Hoelscher, R.;Schmidt, W. G.;
7:17:3:5 Charge compensation by long-period reconstruction in strongly polar lithium niobate surfaces
DOI:10.1103/PhysRevB.88.115422 JN:PHYSICAL REVIEW B PY:2013 TC:3 AU: Sanna, S.;Rode, S.;Hoelscher, R.;Klassen, S.;Marutschke, C.;Kobayashi, K.;Yamada, H.;Schmidt, W. G.;Kuehnle, A.;
7:17:3:6 Unraveling the LiNbO3 X-cut surface by atomic force microscopy and density functional theory
DOI:10.1103/PhysRevB.89.075403 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Sanna, S.;Schmidt, W. G.;Rode, S.;Klassen, S.;Kuehnle, A.;
7:17:3:7 Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces
DOI:10.1103/PhysRevB.86.125410 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Riefer, A.;Sanna, S.;Schmidt, W. G.;
7:17:3:8 Unraveling the LiNbO3 X-cut surface by atomic force microscopy and density functional theory (vol 89, 075403, 2014)
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7:17:3:9 GaN/LiNbO3 (0001) interface formation calculated from first-principles
DOI:10.1016/j.apsusc.2010.03.098 JN:APPLIED SURFACE SCIENCE PY:2010 TC:4 AU: Sanna, Simone;Schmidt, Wolf Gero;
7:17:3:10 Localised Phonon Modes at LiNbO3 (0001) Surfaces
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7:17:4:1 Local probing of the interaction between intrinsic defects and ferroelectric domain walls in lithium niobate
DOI:10.1063/1.4789779 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Stone, Greg;Lee, Donghwa;Xu, Haixuan;Phillpot, Simon R.;Dierolf, Volkmar;
7:17:4:2 Multiphoton-induced luminescence contrast between antiparallel ferroelectric domains in Mg-doped LiNbO3
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7:17:4:3 Frequency shift of Raman modes due to an applied electric field and domain inversion in LiNbO3
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7:17:4:4 Multiphoton photoluminescence contrast in switched Mg:LiNbO3 and Mg:LiTaO3 single crystals
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7:17:4:5 Field induced modification of defect complexes in magnesium-doped lithium niobate
DOI:10.1063/1.4905021 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Meyer, Nadege;Nataf, Guillaume F.;Granzow, Torsten;
7:17:4:6 Threshold behavior of the Einstein oscillator, electron-phonon interaction, band-edge absorption, and small hole polarons in LiNbO3:Mg crystals
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7:17:5:1 Reversible Fragmentation and Self-Assembling of Nematic Liquid Crystal Droplets on Functionalized Pyroelectric Substrates
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7:17:5:2 Polarization-specific adsorption of organic molecules on ferroelectric LiNbO3 surfaces
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7:17:5:3 Manipulation of Nematic Liquid Crystal Microdroplets by Pyroelectric Effect
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7:17:5:4 Patterning of dielectric nanoparticles using dielectrophoretic forces generated by ferroelectric polydomain films
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7:17:6:1 Self-compensation of optical damage in reduced nominally pure LiNbO3 crystals
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7:17:6:2 Optical damage in reduced Z-cut LiNbO3 crystals caused by longitudinal photovoltaic and pyroelectric effects
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7:17:6:3 Raman frequency shift induced by photorefractive effect on Fe-doped lithium niobate
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7:17:6:4 All-optical technique to measure the pyroelectric coefficient in electro-optic crystals
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7:17:6:5 Interferometric measurement of the pyroelectric coefficient in lithium niobate
DOI:10.1063/1.4788696 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:3 AU: Popescu, S. T.;Petris, A.;Vlad, V. I.;
7:17:6:6 Recording of self-induced waveguides in lithium niobate at 405 nm wavelength by photorefractive-pyroelectric effect
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7:17:6:7 Third column electro-optical coefficients of zirconium-doped congruent lithium niobate crystals
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7:17:7:1 Bandstructure measurement in nonlinear optical waveguide arrays
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7:17:7:2 Controllable nonlinear refraction characteristics in hydrogenated nanocrystalline silicon
DOI:10.1063/1.4864132 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:1 AU: Zheng, D. Q.;Su, W. A.;Ye, Q. H.;Shen, W. Z.;
7:17:7:3 Femtosecond Z-scan measurement of third-order nonlinear refractive indices of BaMgF4
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7:17:7:4 Crystal growth and frequency conversion of BaMgF4 single crystal by temperature gradient technique
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7:17:7:5 Temporal dynamics of all-optical switching in quadratic nonlinear directional couplers
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7:17:7:6 Phase Transitions of Nonlinear Waves in Quadratic Waveguide Arrays
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7:17:8:1 Coexisting Surface Phases and Coherent One-Dimensional Interfaces on BaTiO3(001)
DOI:10.1021/nn501759g JN:ACS NANO PY:2014 TC:4 AU: Morales, Erie H.;Martirez, John Mark P.;Saidi, Wissam A.;Rappe, Andrew M.;Bonnell, Dawn A.;
7:17:8:2 Atomic and Electronic Structure of the BaTiO3(001) (root 5 x root 5)R26.6 degrees Surface Reconstruction
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7:17:8:3 Strong Reciprocal Interaction between Polarization and Surface Stoichiometry in Oxide Ferroelectrics
DOI:10.1021/nl5035013 JN:NANO LETTERS PY:2014 TC:3 AU: Saidi, Wissam A.;Martirez, John Mark P.;Rappe, Andrew M.;
7:17:9:1 Growth, optical characterization and evaluation of laser properties of Yb3+, Mg2+:LiTaO3 crystal
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7:17:9:2 Optical properties of MgO doped near-stoichiometric LiTaO3 single crystals
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7:17:9:3 Formation mechanism of scattering centers in BaMgF4 single crystals
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7:17:9:4 Crystal growth, spectroscopic characterization, and laser operation of Tm/Mg: LiTaO3 crystal
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7:17:9:5 Efficient enhanced 1.54 mu m emission in Er/Yb: LiNbO3 crystal codoped with Mg2+ ions
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7:17:10:1 Surface enhanced luminescence and Raman scattering from ferroelectrically defined Ag nanopatterned arrays
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7:17:10:2 Surface enhanced luminescence and Raman scattering from ferroelectrically defined Ag nanopatterned arrays (vol 103, 083105, 2013)
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7:17:10:3 Structure and fluorescent properties of TiO2:Sm3+-Ag composite
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7:18:1:1 Properties of discrete breathers in graphane from ab initio simulations
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7:18:1:2 Discrete breathers in crystals with NaCl structure
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7:18:1:3 Impact of intrinsic localized modes of atomic motion on materials properties
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7:18:1:4 Multiple high-temperature transitions driven by dynamical structures in NaI
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7:18:1:5 Lifetime of gap discrete breathers in diatomic crystals at thermal equilibrium
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7:18:1:6 Lattice dynamics of NaI studied by inelastic neutron scattering: Absence of thermally induced discrete breathers
DOI:10.1103/PhysRevB.89.054308 JN:PHYSICAL REVIEW B PY:2014 TC:2 AU: Kempa, M.;Ondrejkovic, P.;Bourges, P.;Marton, P.;Hlinka, J.;
7:18:1:7 Thermally populated intrinsic localized modes in pure alkali halide crystals
DOI:10.1103/PhysRevB.88.104305 JN:PHYSICAL REVIEW B PY:2013 TC:7 AU: Sievers, A. J.;Sato, M.;Page, J. B.;Roessler, T.;
7:18:1:8 Stone-Wales transformations triggered by intrinsic localized modes in carbon nanotubes
DOI:10.1103/PhysRevB.81.035401 JN:PHYSICAL REVIEW B PY:2010 TC:18 AU: Shimada, Takahiro;Shirasaki, Daisuke;Kitamura, Takayuki;
7:18:1:9 Textures of quantum intrinsically localized modes
DOI:10.1103/PhysRevB.90.134301 JN:PHYSICAL REVIEW B PY:2014 TC:0 AU: Kanbur, Derya;Riseborough, Peter S.;
7:18:1:10 Prediction of high-frequency intrinsic localized modes in Ni and Nb
DOI:10.1103/PhysRevB.84.144303 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Haas, M.;Hizhnyakov, V.;Shelkan, A.;Klopov, M.;Sievers, A. J.;
7:18:1:11 Quantized intrinsically localized modes of the Fermi-Pasta-Ulam lattice
DOI:10.1080/14786435.2011.607141 JN:PHILOSOPHICAL MAGAZINE PY:2012 TC:5 AU: Basu, Sukalpa;Riseborough, Peter S.;
7:18:1:12 Energy localization on the Al sublattice of Pt3Al with L1(2) order
DOI:10.1063/1.4837598 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Medvedev, N. N.;Starostenkov, M. D.;Manley, M. E.;
7:18:1:13 The Korteweg-de Vries equation: its place in the development of nonlinear physics
DOI:10.1080/14786435.2010.530758 JN:PHILOSOPHICAL MAGAZINE PY:2011 TC:4 AU: Riseborough, Peter S.;
7:18:1:14 Generation of Localized Modes in an Electrical Lattice Using Subharmonic Driving
DOI:10.1103/PhysRevLett.108.084101 JN:PHYSICAL REVIEW LETTERS PY:2012 TC:6 AU: English, L. Q.;Palmero, F.;Candiani, P.;Cuevas, J.;Carretero-Gonzalez, R.;Kevrekidis, P. G.;Sievers, A. J.;
7:18:1:15 Dislocation vs. production bias revisited with account of radiation-induced emission bias. I. Void swelling under electron and light ion irradiation
DOI:10.1080/14786435.2012.704425 JN:PHILOSOPHICAL MAGAZINE PY:2012 TC:3 AU: Dubinko, V. I.;Hu, S.;Li, Yu;Henager, C. H., Jr.;Kurtz, R. J.;
7:18:2:1 On the special points on the (P,T,x)-phase diagram for Sn2P2(Se x S1- x )6 crystals: acoustic studies of Sn2P2(Se0.28S0.72)(6)
DOI:10.1080/14786435.2012.728010 JN:PHILOSOPHICAL MAGAZINE PY:2013 TC:1 AU: Mys, O.;Martynyuk-Lototska, I.;Zapeka, B.;Vlokh, R.;
7:18:2:2 About the existence of a Lifshitz point on the phase diagram of Sn2P2(SexS1-x)(6) solid solutions: acoustic and optical studies
DOI:10.1080/14786435.2011.581705 JN:PHILOSOPHICAL MAGAZINE PY:2011 TC:10 AU: Martynyuk-Lototska, I.;Mys, O.;Zapeka, B.;Vlokh, R.;
7:18:2:3 Sound behavior near the Lifshitz point in proper ferroelectrics
DOI:10.1103/PhysRevB.82.054101 JN:PHYSICAL REVIEW B PY:2010 TC:10 AU: Kohutych, A.;Yevych, R.;Perechinskii, S.;Samulionis, V.;Banys, J.;Vysochanskii, Yu.;
7:18:2:4 Thermal expansion of the Sn2P2(Se0.28S0.72)6 solid solutions
DOI:10.1080/14786435.2010.485937 JN:PHILOSOPHICAL MAGAZINE PY:2010 TC:9 AU: Say, A.;Mys, O.;Vlokh, R.;
7:18:2:5 On the Order of Phase Transition in Sn2P2(Se0.28S0.72)(6) Solid Solutions: Optical Birefringence Studies
DOI:10.1080/00150193.2011.578985 JN:FERROELECTRICS PY:2011 TC:7 AU: Zapeka, B.;Mys, O.;Vlokh, R.;
7:18:2:6 Acoustic wave velocities and elastic properties of Sn2P2(Se0.28S0.72)6 solid solutions
DOI:10.1080/14786435.2010.505181 JN:PHILOSOPHICAL MAGAZINE PY:2010 TC:6 AU: Martynyuk-Lototska, I.;Mys, O.;Zapeka, B.;Grabar, A.;Vlokh, R.;
7:18:2:7 On the tricritical point on the (p, T)-phase diagram of Sn2P2S6 crystals
DOI:10.1080/14786435.2011.613413 JN:PHILOSOPHICAL MAGAZINE PY:2011 TC:7 AU: Martynyuk-Lototska, I.;Say, A.;Mys, O.;Vlokh, R.;
7:18:2:8 Tricritical Behavior of Sn2P2S6 Ferroelectrics at Hydrostatic Pressure
DOI:10.1080/00150193.2010.489866 JN:FERROELECTRICS PY:2010 TC:4 AU: Vysochanskii, Yu. M.;Kohutych, A. A.;Kityk, A. V.;Zadorozhna, A. V.;Khoma, M. M.;Grabar, A. A.;
7:18:2:9 Elastic and acoustooptic properties of Sn2P2S6 crystals: Effect of ferroelectric phase transition
DOI:10.1016/j.optmat.2012.07.025 JN:OPTICAL MATERIALS PY:2012 TC:2 AU: Mys, O.;Zapeka, B.;Martynyuk-Lototska, I.;Vlokh, R.;
7:18:2:10 Ultrasonic Behavior Near Phase Transitions in (PbySn1-y)(2)P2S6 Ferroelectric Materials
DOI:10.1080/00150193.2014.890882 JN:FERROELECTRICS PY:2014 TC:0 AU: Samulionis, V.;Banys, J.;Macutkevic, J.;Vysochanskii, Yu.;
7:18:3:1 Multiple-time-scale analysis of nonlinear modes in ferroelectric LiNbO3
DOI:10.1103/PhysRevB.81.064104 JN:PHYSICAL REVIEW B PY:2010 TC:18 AU: Bandyopadhyay, A. K.;Ray, P. C.;Vu-Quoc, Loc;McGurn, Arthur R.;
7:18:3:2 Dark soliton based frequency dependent dielectric constant of ferroelectric materials
DOI:10.1063/1.4900606 JN:AIP ADVANCES PY:2014 TC:0 AU: Giri, Pradipta;Mandal, M. K.;
7:18:3:3 Klein-Gordon equation approach to nonlinear split-ring resonator based metamaterials: One-dimensional systems
DOI:10.1103/PhysRevB.84.155429 JN:PHYSICAL REVIEW B PY:2011 TC:12 AU: Giri, Pradipta;Choudhary, Kamal;Sen Gupta, Arnab;Bandyopadhyay, A. K.;McGurn, Arthur R.;
7:18:3:4 Quantum pinning-transition due to charge defects in ferroelectrics
DOI:10.1063/1.3607298 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:6 AU: Biswas, Arindam;Choudhary, Kamal;Bandyopadhyay, A. K.;Bhattacharjee, A. K.;Mandal, D.;
7:18:3:5 Discrete breathers in nonlinear LiNbO3-type ferroelectrics
DOI:10.1063/1.3552909 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:8 AU: Giri, Pradipta;Choudhary, Kamal;Sengupta, Arnab;Bandyopadhyay, A. K.;Ray, P. C.;
7:18:3:6 Discrete energy levels of bright solitons in lithium niobate ferroelectrics
DOI:10.1103/PhysRevB.86.184101 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Giri, Pradipta;Choudhary, Kamal;Dey, Arghya;Biswas, Arindam;Ghosal, Aniruddha;Bandyopadhyay, A. K.;
7:18:3:7 Search for Light-Induced Intrinsic Localized Modes: Negative Result
DOI:10.1080/00150193.2012.746882 JN:FERROELECTRICS PY:2012 TC:1 AU: Kempa, M.;Ondrejkovic, P.;Ollivier, J.;Rols, S.;Kulda, J.;Margueron, S.;Fernandez, M.;Hlinka, J.;
7:18:3:8 Quantum breathers in Klein-Gordon lattice: Non-periodic boundary condition approach
DOI:10.1063/1.3666013 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:3 AU: Mandal, Subhra Jyoti;Choudhary, Kamal;Biswas, Arindam;Bandyopadhyay, A. K.;Bhattacharjee, A. K.;Mandal, D.;
7:18:3:9 Bound to unbound state route and propagation of dark solitons showing acoustical memory
DOI:10.1063/1.4891466 JN:AIP ADVANCES PY:2014 TC:1 AU: Roy, Rakesh;Giri, Pradipta;Das, Bappa;Choudhary, Kamal;Ghosal, Aniruddha;Bandyopadhyay, A. K.;
7:18:3:10 Multiple-time-scale analysis of nonlinear modes in ferroelectric LiNbO3 (vol 81, pg 064104, 2010)
DOI:10.1103/PhysRevB.81.069901 JN:PHYSICAL REVIEW B PY:2010 TC:0 AU: Bandyopadhyay, A. K.;Ray, P. C.;Vu-Quoc, Loc;McGurn, Arthur R.;
7:18:3:11 Charge sensor and particle trap based on z-cut lithium niobate
DOI:10.1063/1.4818143 JN:APPLIED PHYSICS LETTERS PY:2013 TC:4 AU: Esseling, Michael;Zaltron, Annamaria;Sada, Cinzia;Denz, Cornelia;
7:18:3:12 Electro-optic effect of lithium niobate in piezoelectric resonance
DOI:10.1063/1.4769306 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Takeda, Kotaro;Hoshina, Takuya;Takeda, Hiroaki;Tsurumi, Takaaki;
7:18:4:1 Common characteristics of displacive and relaxor ferroelectrics
DOI:10.1103/PhysRevB.81.064106 JN:PHYSICAL REVIEW B PY:2010 TC:17 AU: Bishop, A. R.;Bussmann-Holder, A.;Kamba, S.;Maglione, M.;
7:18:4:2 Origin of polar nanoregions in relaxor ferroelectrics: Nonlinearity, discrete breather formation, ge transfer
DOI:10.1103/PhysRevB.83.184301 JN:PHYSICAL REVIEW B PY:2011 TC:7 AU: Macutkevic, J.;Banys, J.;Bussmann-Holder, A.;Bishop, A. R.;
7:18:4:3 Origin of polar nanoregions in relaxor ferroelectrics: Nonlinearity, discrete breather formation, and charge transfer (vol 83, 184301, 2011)
DOI:10.1103/PhysRevB.83.229901 JN:PHYSICAL REVIEW B PY:2011 TC:0 AU: Macutkevic, J.;Banys, J.;Bussmann-Holder, A.;Bishop, A. R.;
7:18:5:1 Dynamics of Localized Modes in a Composite Multiferroic Chain
DOI:10.1103/PhysRevLett.111.117202 JN:PHYSICAL REVIEW LETTERS PY:2013 TC:2 AU: Chotorlishvili, L.;Khomeriki, R.;Sukhov, A.;Ruffo, S.;Berakdar, J.;
7:18:5:2 Steering Magnetization with Electric Fields in a Composite Multi-Ferroic Chain
DOI:10.1080/00150193.2012.675829 JN:FERROELECTRICS PY:2012 TC:5 AU: Sukhov, Alexander;Horley, Paul P.;Jia, Chenglong;Berakdar, Jamal;
7:18:6:1 Symmetry-adapted non-equilibrium molecular dynamics of chiral carbon nanotubes under tensile loading
DOI:10.1063/1.3596827 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:4 AU: Aghaei, Amin;Dayal, Kaushik;
7:18:6:2 Anomalous phonon behavior of carbon nanotubes: First-order influence of external load
DOI:10.1063/1.4774077 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:0 AU: Aghaei, Amin;Dayal, Kaushik;Elliott, Ryan S.;
7:19:1 Micrometer and nanometer-scale parallel patterning of ceramic and organic-inorganic hybrid materials
DOI:10.1016/j.jeurceramsoc.2010.01.016 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:31 AU: ten Elshof, Johan E.;Khan, Sajid U.;Gobel, Ole F.;
7:19:2 Patterning Functional Materials Using Channel Diffused Plasma-Etched Self-Assembled Mono layer Templates
DOI:10.1021/la2013667 JN:LANGMUIR PY:2011 TC:10 AU: George, Antony;Maijenburg, A. Wouter;Maas, Michiel G.;Blank, Dave H. A.;ten Elshof, Johan E.;
7:19:3 Nanoscale Patterning of Organosilane Molecular Thin Films from the Gas Phase and Its Applications: Fabrication of Multifunctional Surfaces and Large Area Molecular Templates for Site-Selective Material Deposition
DOI:10.1021/la204437r JN:LANGMUIR PY:2012 TC:11 AU: George, Antony;Knez, Mato;Hlawacek, Gregor;Hagedoorn, Daniel;Verputten, Hein H. J.;van Gastel, Raoul;ten Elshof, Johan E.;
7:19:4 Micro and nanopatterning of functional materials on flexible plastic substrates via site-selective surface modification using oxygen plasma
DOI:10.1039/c1jm14931h JN:JOURNAL OF MATERIALS CHEMISTRY PY:2012 TC:2 AU: George, Antony;Stawski, Tomasz M.;Unnikrishnan, Sandeep;Veldhuis, Sjoerd A.;ten Elshof, Johan E.;
7:19:5 Initial Attatchment of rMSC and MG-63 Cells on Patterned Bioglass (R) Substrates
DOI:10.1002/adem.201180068 JN:ADVANCED ENGINEERING MATERIALS PY:2012 TC:10 AU: Detsch, Rainer;Guillon, Olivier;Wondraczek, Lothar;Boccaccini, Aldo R.;
7:19:6 Ceramic Mask-Assisted Flame Spray Pyrolysis for Direct and Accurate Patterning of Metal Oxide Nanoparticles
DOI:10.1002/adem.201300032 JN:ADVANCED ENGINEERING MATERIALS PY:2013 TC:0 AU: Halfer, Torben;Zhang, Huanjun;Maedler, Lutz;Rezwan, Kurosch;
7:19:7 Thin Films of Conductive ZnO Patterned by Micromolding Resulting in Nearly Isolated Features
DOI:10.1021/am9007374 JN:ACS APPLIED MATERIALS & INTERFACES PY:2010 TC:11 AU: Gobel, Ole F.;Blank, Dave H. A.;ten Elshof, Johan E.;
7:19:8 Versatile Crack-Free Ceramic Micropatterns Made by a Modified Molding Technique
DOI:10.1111/j.1551-2916.2010.03902.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:9 AU: Holthaus, Marzellus Grosse;Kropp, Miron;Treccani, Laura;Lang, Walter;Rezwan, Kurosch;
7:19:9 Microstructure development in zinc oxide nanowires and iron oxohydroxide nanotubes by cathodic electrodeposition in nanopores
DOI:10.1557/jmr.2011.93 JN:JOURNAL OF MATERIALS RESEARCH PY:2011 TC:9 AU: Maas, Michiel G.;Rodijk, Eddy J. B.;Maijenburg, A. Wouter;Blank, Dave H. A.;ten Elshof, Johan E.;
7:19:10 Orientation of human osteoblasts on hydroxyapatite-based microchannels
DOI:10.1016/j.actbio.2011.07.031 JN:ACTA BIOMATERIALIA PY:2012 TC:17 AU: Holthaus, M. G.;Stolle, J.;Treccani, L.;Rezwan, K.;
7:19:11 Electrodeposition in Capillaries: Bottom-up Micro- and Nanopatterning of Functional Materials on Conductive Substrates
DOI:10.1021/am200852w JN:ACS APPLIED MATERIALS & INTERFACES PY:2011 TC:5 AU: George, Antony;Maijenburg, A. Wouter;Maas, Michiel G.;Blank, Dave H. A.;ten Elshof, Johan E.;
7:19:12 Ultraviolet laser interference patterning of hydroxyapatite surfaces
DOI:10.1016/j.apsusc.2010.10.120 JN:APPLIED SURFACE SCIENCE PY:2011 TC:10 AU: Berger, Jana;Holthaus, Marzellus Grosse;Pistillo, Nicola;Roch, Teja;Rezwan, Kurosch;Lasagni, Andres Fabian;
7:19:13 Comparison of micropatterning methods for ceramic surfaces
DOI:10.1016/j.jeurceramsoc.2011.07.020 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2011 TC:3 AU: Holthaus, Marzellus Grosse;Treccani, Laura;Rezwan, Kurosch;
7:19:14 Free-Standing Patterned Ceramic Structures Obtained by Soft Micromolding
DOI:10.1002/adem.201100013 JN:ADVANCED ENGINEERING MATERIALS PY:2011 TC:4 AU: Seils, Sascha;Baraki, Raschid;Jamin, Christine;Guillon, Olivier;
7:19:15 Stacks of Functional Oxide Thin Films Patterned by Micromolding
DOI:10.1021/am100795j JN:ACS APPLIED MATERIALS & INTERFACES PY:2010 TC:3 AU: Gobel, Ole F.;Branfield, Thomas E.;Stawski, Tomasz M.;Veldhuis, Sjoerd A.;Blank, Dave H. A.;ten Elshof, Johan E.;
7:19:16 ZnO Submicrometer Rod Array by Soft Lithographic Micromolding with High Solid Loading Nanoparticle Suspension
DOI:10.1111/jace.12069 JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2013 TC:3 AU: Chen, Bo;Lu, Kathy;Ramsburg, Kelly;
7:19:17 Sub-50 nm patterning of functional oxides by soft lithographic edge printing
DOI:10.1039/c2jm31121f JN:JOURNAL OF MATERIALS CHEMISTRY PY:2012 TC:2 AU: George, Antony;Ten Elshof, Johan E.;
7:19:18 Nanopatterning of Functional Materials by Gas Phase Pattern Deposition of Self-Assembled Molecular Thin Films in Combination with Electrodeposition
DOI:10.1021/la202210s JN:LANGMUIR PY:2011 TC:6 AU: George, Antony;Maijenburg, A. Wouter;Nguyen, Minh Duc;Maas, Michiel G.;Blank, Dave H. A.;ten Elshof, Johan E.;
7:19:19 Thin Films of Two Functional Oxides Patterned Laterally by Soft Lithography
DOI:10.1021/am201474t JN:ACS APPLIED MATERIALS & INTERFACES PY:2012 TC:0 AU: Goebel, Ole F.;Stawski, Tomasz M.;ten Elshof, Johan E.;
7:19:20 Concentration Dependence on the Shape and Size of Sol-Gel-Derived Yttria-Stabilized Zirconia Ceramic Features by Soft Lithographic Patterning
DOI:10.1021/la302893s JN:LANGMUIR PY:2012 TC:2 AU: Veldhuis, Sjoerd A.;George, Antony;Nijland, Maarten;ten Elshof, Johan E.;
7:19:21 Free-Standing Ultrathin Ceramic Foils
DOI:10.1111/j.1551-2916.2010.03927.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:6 AU: Bonderer, Lorenz J.;Chen, Philipp W.;Kocher, Peter;Gauckler, Ludwig J.;
7:19:22 Solution Deposition of Micropatterned Nanocrystalline Metal Oxide Films Through Hydrogels
DOI:10.1111/j.1551-2916.2011.04738.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:3 AU: Tredici, Ilenia G.;Yaghmaie, Frank;Irving, Michael;Wijesundara, Muthu B. J.;Maglia, Filippo;Quartarone, Eliana;Anselmi-Tamburini, Umberto;
7:19:23 Fabrication of Micropatterns on Silica Glass by a Room-Temperature Imprinting Method
DOI:10.1111/j.1551-2916.2010.04368.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:1 AU: Ikeda, Hiroshi;Fujino, Shigeru;Kajiwara, Toshihisa;
7:19:24 Preparation and photoluminescence of monolithic silica glass doped with Tb3+ ions using SiO2-PVA nanocomposite
DOI:10.1016/j.optmat.2014.02.011 JN:OPTICAL MATERIALS PY:2014 TC:3 AU: Ikeda, Hiroshi;Murata, Takahiro;Fujino, Shigeru;
7:19:25 Micropatterned nanocrystalline zinc oxide thin films obtained through metal-loaded hydrogels
DOI:10.1016/j.tsf.2011.02.076 JN:THIN SOLID FILMS PY:2011 TC:4 AU: Tredici, I. G.;Yaghmaie, F.;Irving, M.;Wijesundara, M. B. J.;Maglia, F.;Quartarone, E.;Galinetto, P.;Anselmi-Tamburini, U.;
7:19:26 A simple two-step solution chemistry method for synthesis of micropatterned ZnO nanorods based on metal-loaded hydrogels
DOI:10.1016/j.tsf.2012.10.052 JN:THIN SOLID FILMS PY:2012 TC:3 AU: Tredici, Ilenia G.;Resmini, Alessandro;Yaghmaie, Frank;Irving, Michael;Maglia, Filippo;Anselmi-Tamburini, Umberto;
7:19:27 Solution deposition of micropatterned TiO2, ZrO2, SnO2, and In2O3 thin films through metal-loaded hydrogels
DOI:10.1016/j.tsf.2013.06.044 JN:THIN SOLID FILMS PY:2013 TC:1 AU: Tredici, Ilenia G.;Maglia, Filippo;Resmini, Alessandro;Anselmi-Tamburini, Umberto;
7:19:28 Cell-Assisted Deposition of Inorganic Coatings
DOI:10.1111/j.1551-2916.2011.04622.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:1 AU: Sommi, Patrizia;Oldani, Amanda;Maglia, Filippo;Chiozzi, Valentina;Tredici, Ilenia G.;Ricci, Vittorio;Anselmi-Tamburini, Umberto;
7:19:29 Templated electrodeposition of Ag7NO11 nanowires with very high oxidation states of silver
DOI:10.1016/j.matlet.2011.07.108 JN:MATERIALS LETTERS PY:2011 TC:4 AU: Rodijk, E. J. B.;Maijenburg, A. W.;Maas, M. G.;Blank, D. H. A.;ten Elshof, J. E.;
7:20:1:1 Multiferroic properties of NiS nanoplates grown within Na-4 mica
DOI:10.1016/j.jmmm.2012.04.030 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:5 AU: Mandal, Amrita;Bose, Anindita;Mitra, Sreemanta;Datta, Anindya;Banerjee, Sourish;Chakravorty, Dipankar;
7:20:1:2 Multiferroic GaN nanofilms grown within Na-4 mica channels
DOI:10.1063/1.3340897 JN:APPLIED PHYSICS LETTERS PY:2010 TC:12 AU: Bhattacharya, Santanu;Datta, A.;Chakravorty, D.;
7:20:1:3 Magnetodielectric effect in Co3O4 nanoparticles grown within a silica glass
DOI:10.1016/j.jmmm.2010.11.068 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:10 AU: Hajra, Partha;Dutta, Saurav;Brahma, Pradip;Chakravorty, Dipankar;
7:20:1:4 Ferroeletric like characteristics in redox active polymer of 5,10,15,20 tetra(4-hydroxyphenyl)-porphyrin at room temperature
DOI:10.1063/1.4813736 JN:APPLIED PHYSICS LETTERS PY:2013 TC:0 AU: Koiry, S. P.;Celestin, M. E.;Ratnadurai, R.;Veerender, P.;Majumder, C.;Krishnan, S.;Stefanakos, E.;Goswami, Y.;Aswal, D. K.;Bhansali, Shekhar;
7:20:1:5 Magnetodielectric properties of nanodisc bismuth ferrite grown within Na-4 mica nanochannels
DOI:10.1063/1.3512910 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:4 AU: Hajra, Partha;Pal, Mrinal;Datta, Anindya;Chakravorty, Dipankar;Meriakri, Vyacheslav;Parkhomenko, Michael;
7:20:1:6 Room temperature magnetoelectric coupling in single crystal Bi2Fe4O9 nanotubes grown within an anodic aluminum oxide template
DOI:10.1016/j.matlet.2012.04.123 JN:MATERIALS LETTERS PY:2012 TC:1 AU: Hajra, P.;Maiti, R. P.;Chakravorty, D.;
7:20:1:7 Multiferroic Behavior in Composites of Nickel-Exchanged Glass Containing Nanoparticles of Barium Titanate
DOI:10.1111/j.1551-2916.2011.04490.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2011 TC:0 AU: Naidu, R. Venkata Ram;Hajra, Partha;Datta, Anindya;Bhattacharya, Santanu;Chakravorty, Dipankar;
7:20:1:8 Magnetic properties of chalcogenide spinel CuCr2Se4 nanocrystals
DOI:10.1016/j.jmmm.2009.08.042 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:2 AU: Tsoi, G. M.;Wenger, L. E.;Wang, Y. -H. A.;Gupta, A.;
7:20:1:9 Enhanced magnetic anisotropy of nickel nanosheet prepared in Na-4 mica
DOI:10.1016/j.jmmm.2012.03.004 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2012 TC:1 AU: Mitra, Sreemanta;Mandal, Amrita;Datta, Anindya;Banerjee, Sourish;Chakrayorty, Dipankar;
7:20:2:1:1 Iron-Age bronze statuettes in Southern Portugal: combining archaeological data with EDXRF and BSEM plus EDS to assess provenance and production technology
DOI:10.1007/s00339-013-7747-7 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:5 AU: Schiavon, Nick;Celauro, Angela;Manso, Marta;Brunetti, Antonio;Susanna, Fiammetta;
7:20:2:1:2 Combining chemical data with GIS and PCA to investigate Phoenician-Punic Cu-metallurgy
DOI:10.1007/s00339-013-8179-0 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2014 TC:1 AU: Celauro, Angela;Schiavon, Nick;Brunetti, Antonio;Manfredi, Lorenza-Ilia;Susanna, Fiammetta;Dekayir, Abdelilah;Graziani, Valerio;Pargny, Dominique;Ferro, Daniela;
7:20:2:1:3 A multianalytical approach to study the Phoenician bronze technology in the Iberian Peninsula-A view from Quinta do Almaraz
DOI:10.1016/j.matchar.2012.02.020 JN:MATERIALS CHARACTERIZATION PY:2012 TC:16 AU: Valerio, P.;Silva, R. J. C.;Araujo, M. F.;Soares, A. M. M.;Barros, L.;
7:20:2:1:4 A Roman bronze statuette with gilded silver mask from Sardinia: an EDXRF study
DOI:10.1007/s00339-013-7721-4 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:6 AU: Cesareo, Roberto;Brunetti, Antonio;D'Oriano, Rubens;Canu, Alba;Demontis, Gonaria Mattia;Celauro, Angela;
7:20:2:1:5 XRF investigation on skeletal remains from King Peter III of Aragon (1239-1285 AD) and Queen Blanche of Anjou (1280-1310 AD)
DOI:10.1007/s00339-014-8272-z JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2014 TC:1 AU: Piga, Giampaolo;Brunetti, Antonio;Lasio, Barbara;Enzo, Stefano;Malgosa, Assumpcio;
7:20:2:1:6 A multianalytical approach to investigate stone biodeterioration at a UNESCO world heritage site: the volcanic rock-hewn churches of Lalibela, Northern Ethiopia
DOI:10.1007/s00339-013-7757-5 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:4 AU: Schiavon, Nick;De Caro, Tilde;Kiros, Alemayehu;Caldeira, Ana Teresa;Parisi, Isabella Erica;Riccucci, Cristina;Gigante, Giovanni Ettore;
7:20:2:1:7 Metallography and microstructure interpretation of some archaeological tin bronze vessels from Iran
DOI:10.1016/j.matchar.2014.09.007 JN:MATERIALS CHARACTERIZATION PY:2014 TC:2 AU: Oudbashi, Omid;Davami, Parviz;
7:20:2:2:1 Characterization of a Messer - The late-Medieval single-edged sword of Central Europe
DOI:10.1016/j.matchar.2013.10.005 JN:MATERIALS CHARACTERIZATION PY:2013 TC:0 AU: Fajfar, Peter;Medved, Jozef;Klancnik, Grega;Lazar, Tomaz;Necemer, Marijan;Mrvar, Primoz;
7:20:2:2:2 Characterization of a 12-pdr wrought-iron cannonball from the Akko 1 shipwreck
DOI:10.1016/j.matchar.2013.06.012 JN:MATERIALS CHARACTERIZATION PY:2013 TC:3 AU: Cvikel, D.;Ashkenazi, D.;Stern, A.;Kahanov, Y.;
7:20:2:2:3 Archaeometallurgical investigation of the iron anchor from the Tantura F shipwreck
DOI:10.1016/j.matchar.2013.01.004 JN:MATERIALS CHARACTERIZATION PY:2013 TC:2 AU: Aronson, A.;Ashkenazi, D.;Barkai, O.;Kahanov, Y.;
7:20:3:1 Cultural heritage and archaeology materials studied by synchrotron spectroscopy and imaging
DOI:10.1007/s00339-011-6686-4 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2012 TC:28 AU: Bertrand, Loic;Robinet, Laurianne;Thoury, Mathieu;Janssens, Koen;Cohen, Serge X.;Schoeder, Sebastian;
7:20:3:2 X-rays absorption study on medieval corrosion layers for the understanding of very long-term indoor atmospheric iron corrosion
DOI:10.1007/s00339-010-5638-8 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:11 AU: Monnier, J.;Reguer, S.;Vantelon, D.;Dillmann, P.;Neff, D.;Guillot, I.;
7:20:3:3 FTIR techniques applied to the detection of gelatine in paper artifacts: from macroscopic to microscopic approach
DOI:10.1007/s00339-010-5649-5 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2010 TC:6 AU: Rouchon, Veronique;Pellizzi, Eleonora;Janssens, Koen;
7:20:3:4 Medieval glass from the Cathedral in Paderborn: a comparative study using X-ray absorption spectroscopy, X-ray fluorescence, and inductively coupled laser ablation mass spectrometry
DOI:10.1007/s00339-012-7505-2 JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:4 AU: Hormes, J.;Roy, A.;Bovenkamp, G. -L.;Simon, K.;Kim, C. -Y.;Boerste, N.;Gai, S.;
7:20:3:5 Degradation of azurite in mural paintings: distribution of copper carbonate, chlorides and oxalates by SRFTIR
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7:20:3:6 A multi-analytical study of the fifteenth century mural paintings of the Batalha Monastery (Portugal) in view of their conservation
DOI:10.1007/s00339-013-7727-y JN:APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING PY:2013 TC:1 AU: Valadas, S.;Candeias, A.;Dias, C.;Schiavon, N.;Cotovio, M.;Pestana, J.;Gil, M.;Mirao, J.;
7:20:3:7 Synchrotron-based multiple-beam FTIR chemical imaging of a multi-layered polymer in transmission and reflection: towards cultural heritage applications
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7:20:3:8 Non-invasive characterization of manufacturing techniques and corrosion of ancient Chinese bronzes and a later replica using synchrotron X-ray diffraction
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7:20:3:9 The long-term corrosion of mild steel in depassivated concrete: Localizing the oxygen reduction sites in corrosion products by isotopic tracer method
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7:20:4:1 How does iron interact with sporopollenin exine capsules? An X-ray absorption study including microfocus XANES and XRF imaging
DOI:10.1039/c3tb21523g JN:JOURNAL OF MATERIALS CHEMISTRY B PY:2014 TC:1 AU: Archibald, Stephen J.;Atkin, Stephen L.;Bras, Wim;Diego-Taboada, Alberto;Mackenzie, Grahame;Mosselmans, J. Frederick W.;Nikitenko, Sergey;Quinn, Paul D.;Thomas, Michael F.;Young, Nigel A.;
7:20:4:2 Phase transformation and exchange bias effects in mechanically alloyed Fe/magnetite powders
DOI:10.1016/j.jallcom.2011.03.147 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:7 AU: Crisan, O.;Crisan, A. D.;
7:20:4:3 Viability of plant spore exine capsules for microencapsulation
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7:20:4:4 Protein free microcapsules obtained from plant spores as a model for drug delivery: ibuprofen encapsulation, release and taste masking
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7:20:4:5 Magnetic model for a horse-spleen ferritin with a three-phase core structure
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7:20:5:1 Magnetodielectric effect in CdS nanosheets grown within Na-4 mica
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7:20:5:2 Magnetodielectric effect of CuO grown within highly ordered two dimensional mesoporous silica template SBA 15
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7:20:6:1 Magnetodielectric effect in composites of nanodimensional glass and CuO nanoparticles
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7:20:6:2 Exchange bias effect in composites of cuo nanoparticles and nanosilica glass
DOI:10.1016/j.jmmm.2013.12.013 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2014 TC:0 AU: Saha, Dhriti Ranjan;Nandi, Arun Kumar;Chakravorty, Dipankar;
7:20:6:3 Nanoglass in lithia-silica system grown within pores of pellets comprising CuO nanoparticles
DOI:10.1016/j.ssi.2011.01.017 JN:SOLID STATE IONICS PY:2011 TC:9 AU: Saha, Dhriti Ranjan;Datta, Anindya;Mandal, Sankar;Mukherjee, Manabendra;Nandi, Arun Kumar;Chakravorty, Dipankar;
7:20:6:4 Enhancement of ionic conductivity in Li2O-SiO2 glass in nanodimensions grown within pellets of ZnO nanorods and magnetodielectric properties of these nanocomposites
DOI:10.1016/j.jnoncrysol.2013.04.054 JN:JOURNAL OF NON-CRYSTALLINE SOLIDS PY:2013 TC:3 AU: Saha, Dhriti Ranjan;Nandi, Arun Kumar;Chakravorty, Dipankar;
7:20:6:5 Structural and room-temperature ferromagnetic properties of Fe-doped CuO nanocrystals
DOI:10.1063/1.3436573 JN:JOURNAL OF APPLIED PHYSICS PY:2010 TC:11 AU: Li, Youxia;Xu, Mei;Pan, Liqing;Zhang, Yaping;Guo, Zhengang;Bi, Chong;
7:20:7:1 Sequestration of edible oil from emulsions using new single and double layered microcapsules from plant spores
DOI:10.1039/c2jm00103a JN:JOURNAL OF MATERIALS CHEMISTRY PY:2012 TC:5 AU: Diego-Taboada, Alberto;Cousson, Priscille;Raynaud, Elodie;Huang, Youkui;Lorch, Mark;Binks, Bernard P.;Queneau, Yves;Boa, Andrew N.;Atkin, Stephen L.;Beckett, Stephen T.;Mackenzie, Grahame;
7:20:7:2 Encapsulation of living cells into sporopollenin microcapsules
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7:20:7:3 Hollow microspheres with binary colloidal and polymeric membrane: Effect of polymer and particle concentrations
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7:21:1:1 Synthesis, characterization and ferroelectric properties of lead-free K0.5Na0.5NbO3 nanotube arrays
DOI:10.1063/1.3592636 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:9 AU: Zhou, Di;Gu, Haoshuang;Hu, Yongming;Tian, Huyong;Wang, Zhao;Qian, Zheli;Wang, Yu;
7:21:1:2 Perovskite phase transformation in 0.65Pb(Mg1/3Nb2/3)O-3-0.35PbTiO(3) nanoparticles derived by sol-gel
DOI:10.1063/1.3677974 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:3 AU: Singh, Satyendra;Krupanidhi, S. B.;
7:21:1:3 Evidence of spin phonon coupling in magnetoelectric NiFe2O4/PMN-PT composite
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7:21:1:4 Phase transition in BaTiO3 nanotube arrays
DOI:10.1063/1.3530614 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:12 AU: Yang, Yang;Wang, Xiaohui;Sun, Changku;Li, Longtu;
7:21:1:5 Synthesis, structural characterization and ferroelectric properties of Pb0.76Ca0.24TiO3 nanotubes
DOI:10.1016/j.matchemphys.2011.10.002 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:3 AU: Singh, Satyendra;Krupanidhi, S. B.;
7:21:1:6 Synthesis and characterization of single-crystalline (K,Na)NbO3 nanorods
DOI:10.1016/j.ceramint.2012.11.065 JN:CERAMICS INTERNATIONAL PY:2013 TC:6 AU: Zhang, De-Qing;Wang, Da-Wei;Zhu, Hou-Bin;Yang, Xiu-Ying;Lu, Ran;Wen, Bo;Cao, Wen-Qiang;Yuan, Jie;Cao, Mao-Sheng;
7:21:1:7 Single-handed helical carbonaceous bundles prepared using a chiral polybissilsesquioxane
DOI:10.1016/j.matlet.2014.04.182 JN:MATERIALS LETTERS PY:2014 TC:2 AU: Wang, Qingfeng;Chen, Hao;Li, Baozong;Li, Yi;Yang, Yonggang;
7:21:1:8 Synthesis, characterization and ferroelectric properties of lead-free K(0.5)Na(0.5)NbO(3) nanotube arrays (vol 109, 114104, 2011)
DOI:10.1063/1.3633225 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:0 AU: Zhou, Di;Gu, Haoshuang;Hu, Yongming;Tian, Huyong;ZhaoWang;Qian, Zheli;Wang, Yu;
7:21:2:1 Characterization of Composites Based on Recycled Expanded Polystyrene Reinforced with Curaua Fibers
DOI:10.1002/app.38236 JN:JOURNAL OF APPLIED POLYMER SCIENCE PY:2013 TC:4 AU: Borsoi, Cleide;Scienza, Lisete C.;Zattera, Ademir J.;
7:21:2:2 Biomicrofibrilar composites of high density polyethylene reinforced with curaua fibers: Mechanical, interfacial and morphological properties
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7:21:2:3 Polyolefin composites with curaua fibres: Effect of the processing conditions on mechanical properties, morphology and fibres dimensions
DOI:10.1016/j.compscitech.2009.09.002 JN:COMPOSITES SCIENCE AND TECHNOLOGY PY:2010 TC:31 AU: Mano, B.;Araujo, J. R.;Spinace, M. A. S.;De Paoli, M. -A.;
7:21:2:4 Crystallinity, oxidation states and morphology of polyaniline coated curaua fibers in polyamide-6 composites
DOI:10.1016/j.compscitech.2013.08.039 JN:COMPOSITES SCIENCE AND TECHNOLOGY PY:2013 TC:3 AU: Araujo, J. R.;Adamo, C. B.;De Robertis, E.;Kuznetsov, A. Yu;Archanjo, B. S.;Fragneaud, B.;Achete, C. A.;De Paoli, M-A.;
7:21:2:5 Elastomer Composite Based on EPDM Reinforced with Polyaniline Coated Curaua Fibers Prepared by Mechanical Mixing
DOI:10.1002/app.40056 JN:JOURNAL OF APPLIED POLYMER SCIENCE PY:2014 TC:1 AU: Araujo, Joyce R.;Adamo, Cristina B.;Rocha, Werickson F. C.;Costa e Silva, Marcos V.;Carozo, Vitor;Calil, Vanessa L.;De Paoli, Marco-A;
7:21:2:6 Lignocellulosic Fiber Reinforced Composites: Influence of Compounding Conditions on Defibrization and Mechanical Properties
DOI:10.1002/app.38468 JN:JOURNAL OF APPLIED POLYMER SCIENCE PY:2013 TC:9 AU: Beaugrand, Johnny;Berzin, Francoise;
7:21:2:7 Effects of various polymerization techniques on PANI deposition at the surface of cellulose ester microporous membranes: XPS and electrical conductivity studies
DOI:10.1016/j.synthmet.2012.04.009 JN:SYNTHETIC METALS PY:2012 TC:6 AU: Qaiser, Asif A.;Hyland, Margaret M.;Patterson, Darrell A.;
7:21:3:1 A facile method to fabricate vertically aligned (K,Na)NbO3 lead-free piezoelectric nanorods
DOI:10.1039/c2jm35090d JN:JOURNAL OF MATERIALS CHEMISTRY PY:2012 TC:9 AU: Xu, Ying;Yu, Qi;Li, Jing-Feng;
7:21:3:2 Orientation-Control Synthesis of KTa0.25Nb0.75O3 Nanorods
DOI:10.1111/j.1551-2916.2009.03461.x JN:JOURNAL OF THE AMERICAN CERAMIC SOCIETY PY:2010 TC:9 AU: Hu, Yong-Ming;Gu, Hao-Shuang;Zhou, Di;Wang, Zhao;Chan, Helen Lai-Wa;Wang, Yu;
7:21:3:3 Hydrothermal synthesis of epitaxial NaxK(1-x)NbO3 solid solution films
DOI:10.1016/j.tsf.2011.01.078 JN:THIN SOLID FILMS PY:2011 TC:8 AU: Handoko, Albertus D.;Goh, Gregory K. L.;
7:21:4:1 Silica Nanoparticles Treated by Cold Atmospheric-Pressure Plasmas Improve the Dielectric Performance of Organic-Inorganic Nanocomposites
DOI:10.1021/am300300f JN:ACS APPLIED MATERIALS & INTERFACES PY:2012 TC:19 AU: Yan, Wei;Han, Zhao Jun;Phung, B. Toan;Ostrikov, Kostya (Ken);
7:21:4:2 Biodegradable Composites: Morphological, Chemical, Thermal, and Mechanical Properties of Composites of Poly(hydroxybutyrate-co-hydroxyvalerate) with Curaua Fibers After Exposure to Simulated Soil
DOI:10.1002/APP.40712 JN:JOURNAL OF APPLIED POLYMER SCIENCE PY:2014 TC:1 AU: Beltrami, Lilian V. R.;Bandeira, Joao A. V.;Scienza, Lisete C.;Zattera, Ademir J.;
7:21:4:3 Composites of Plasma Surface Functionalized Barium Titanate Nanoparticles Covalently Attached to Epoxide Matrices: Synthesis and Evaluation
DOI:10.1021/am900677s JN:ACS APPLIED MATERIALS & INTERFACES PY:2010 TC:10 AU: Mukherjee, Narayan;Wavhal, Dattatray;Timmons, Richard B.;
7:21:4:4 Mechanisms and impact of fiber-matrix compatibilization techniques on the material characterization of PHBV/oak wood flour engineered biobased composites
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7:21:5:1 Microstructure, thermal and dielectric properties of homogeneous bismaleimide-triazine/barium titanate nanocomposite films
DOI:10.1016/j.matchemphys.2011.09.060 JN:MATERIALS CHEMISTRY AND PHYSICS PY:2011 TC:4 AU: Zeng, Xiaoliang;Yu, Shuhui;Sun, Rong;Du, Ruxu;
7:21:5:2 Synergistic Effects of Zirconia-Coated Carbon Nanotube on Crystalline Structure of Polyvinylidene Fluoride Nanocomposites: Electrical Properties and Flame-Retardant Behavior
DOI:10.1021/la903022j JN:LANGMUIR PY:2010 TC:15 AU: Pal, Kaushik;Kang, Dong Jin;Zhang, Zhen Xiu;Kim, Jin Kuk;
7:21:5:3 Microstructural investigations of zirconium oxide-on core-shell structure of carbon nanotubes
DOI:10.1007/s11051-010-0152-7 JN:JOURNAL OF NANOPARTICLE RESEARCH PY:2011 TC:2 AU: Pal, Kaushik;Kang, Dong Jin;Kim, Jin Kuk;
7:21:6:1 Study of UV-aging of thermoplastic polyurethane material
DOI:10.1016/j.msea.2010.01.014 JN:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES PY:2010 TC:12 AU: Boubakri, A.;Guermazi, N.;Elleuch, K.;Ayedi, H. F.;
7:21:6:2 O-3/UV Synergistic Aging of Polyester Polyurethane Film Modified by Composite UV Absorber
DOI:10.1155/2013/169405 JN:JOURNAL OF NANOMATERIALS PY:2013 TC:1 AU: Wang, Yanzhi;Wang, Haiyan;Li, Xuesong;Liu, Dongxu;Jiang, Yifan;Sun, Zonghui;
7:21:6:3 Effects of Additives on Weather-Resistance Properties of Polyurethane Films Exposed to Ultraviolet Radiation and Ozone Atmosphere
DOI:10.1155/2014/487343 JN:JOURNAL OF NANOMATERIALS PY:2014 TC:0 AU: Wang, Haiying;Wang, Yanzhi;Liu, Dongxu;Sun, Zonghui;Wang, Huicong;
7:21:6:4 Thermal and tensile properties of HTPB-based PU with PVC blends
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7:22:1:1 Mechanism of charge transfer/disproportionation in LnCu(3)Fe(4)O(12) (Ln = lanthanides)
DOI:10.1103/PhysRevB.89.125125 JN:PHYSICAL REVIEW B PY:2014 TC:2 AU: Rezaei, N.;Hansmann, P.;Bahramy, M. S.;Arita, R.;
7:22:1:2 Charge transfer and antiferromagnetic order in the A-site-ordered perovskite LaCu3Fe4O12
DOI:10.1039/c0jm00767f JN:JOURNAL OF MATERIALS CHEMISTRY PY:2010 TC:14 AU: Chen, Wei-tin;Long, Youwen;Saito, Takashi;Attfield, J. Paul;Shimakawa, Yuichi;
7:22:1:3 Suppression of Intersite Charge Transfer in Charge-Disproportionated Perovskite YCu3Fe4O12
DOI:10.1021/ja312015j JN:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY PY:2013 TC:8 AU: Etani, Hidenobu;Yamada, Ikuya;Ohgushi, Kenya;Hayashi, Naoaki;Kusano, Yoshihiro;Mizumaki, Masaichiro;Kim, Jungeun;Tsuji, Naruki;Takahashi, Ryoji;Nishiyama, Norimasa;Inoue, Toru;Irifune, Tetsuo;Takano, Mikio;
7:22:1:4 Mechanism of A-B intersite charge transfer and negative thermal expansion in A-site-ordered perovskite LaCu3Fe4O12
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7:22:1:5 Pressure Effect on Intersite Charge Transfer in A-site-Ordered Double-Perovskite-Structure Oxide
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7:22:2:1 Synthesis, crystal structure, and valence states of Mn-substituted La2RuO5
DOI:10.1103/PhysRevB.90.024406 JN:PHYSICAL REVIEW B PY:2014 TC:1 AU: Riegg, S.;Garcia-Garcia, F. J.;Reller, A.;Loidl, A.;Ebbinghaus, S. G.;
7:22:2:2 Magnetic and thermodynamic properties of the spin-dimer system La2RuO5 induced by Mn substitution
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7:22:2:3 Synthesis, structure, and magnetic characterization of La2-xRxRuO5 (R = Pr, Nd, Sm, Gd, Dy)
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7:22:2:4 Spin-singlet dimerization in La2RuO5 investigated using magnetic susceptibility and specific heat measurements
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7:22:2:5 Crystal structure and magnetic properties of Pr- and Ti-substituted La2RuO5
DOI:10.1016/j.materresbull.2013.07.054 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:1 AU: Riegg, S.;Loidl, A.;Reller, A.;Ebbinghaus, S. G.;
7:22:3:1 Structure-property coupling in Sr-3(Ru1-xMnx)(2)O-7
DOI:10.1103/PhysRevB.84.174411 JN:PHYSICAL REVIEW B PY:2011 TC:8 AU: Hu, Biao;McCandless, Gregory T.;Garlea, V. O.;Stadler, S.;Xiong, Yimin;Chan, Julia Y.;Plummer, E. W.;Jin, R.;
7:22:3:2 Mn induced ferromagnetism spin fluctuation enhancement in Sr2Ru1-xMnxO4
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7:22:3:3 Mott versus Slater-type metal-insulator transition in Mn-substituted Sr3Ru2O7
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7:22:3:4 Single-bilayer E-type antiferromagnetism in Mn-substituted Sr3Ru2O7: Neutron scattering study
DOI:10.1103/PhysRevB.85.180410 JN:PHYSICAL REVIEW B PY:2012 TC:3 AU: Mesa, Dalgis;Ye, Feng;Chi, Songxue;Fernandez-Baca, J. A.;Tian, W.;Hu, Biao;Jin, R.;Plummer, E. W.;Zhang, Jiandi;
7:22:3:5 Doping and dimensionality effects on the core-level spectra of layered ruthenates
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7:22:4:1 High-field magnetization and magnetoresistance of the A-site ordered perovskite oxide CaCu3Ti4-xRuxO12 (0 <= x <= 4)
DOI:10.1103/PhysRevB.85.195122 JN:PHYSICAL REVIEW B PY:2012 TC:1 AU: Kida, T.;Kammuri, R.;Hagiwara, M.;Yoshii, S.;Kobayashi, W.;Iwakawa, M.;Terasaki, I.;
7:22:4:2 Synthesis, Structure, and Physical Properties of A-site Ordered Perovskites ACu(3)Co(4)O(12) (A = Ca and Y)
DOI:10.1021/cm101671j JN:CHEMISTRY OF MATERIALS PY:2010 TC:7 AU: Yamada, Ikuya;Ishiwata, Shintaro;Terasaki, Ichiro;Azuma, Masaki;Shimakawa, Yuichi;Takano, Mikio;
7:22:4:3 Valence fluctuations and correlated metallic states in A-site ordered perovskite oxides ACu(3)V(4)O(12) (A = Na, Ca, and Y)
DOI:10.1103/PhysRevB.81.165111 JN:PHYSICAL REVIEW B PY:2010 TC:7 AU: Morita, Yosuke;Sudayama, Takaaki;Takubo, Kou;Shiraki, Hiroshi;Saito, Takashi;Shimakawa, Yuichi;Mizokawa, Takashi;
7:22:4:4 Correlation effects in CaCu3Ru4O12
DOI:10.1103/PhysRevB.87.155122 JN:PHYSICAL REVIEW B PY:2013 TC:2 AU: Hollmann, N.;Hu, Z.;Maignan, A.;Guenther, A.;Jang, L. -Y.;Tanaka, A.;Lin, H. -J.;Chen, C. T.;Thalmeier, P.;Tjeng, L. H.;
7:22:4:5 Transition from Pauli-paramagnetism to ferromagnetism in CaCu3(Ru4-xMnx)O-12 (0 <= x <= 3) perovskites
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7:22:4:6 First-principles study of CaCu3B4O12 (B=Co, Rh, Ir)
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7:23:1:1 Abnormal Poisson's ratio and Linear Compressibility in Perovskite Materials
DOI:10.1002/adma.201104676 JN:ADVANCED MATERIALS PY:2012 TC:8 AU: Huang, C. W.;Ren, Wei;Viet Cuong Nguyen;Chen, Zuhuang;Wang, Junling;Sritharan, T.;Chen, Lang;
7:23:1:2 Poisson's ratio and modern materials
DOI:10.1038/NMAT3134 JN:NATURE MATERIALS PY:2011 TC:233 AU: Greaves, G. N.;Greer, A. L.;Lakes, R. S.;Rouxel, T.;
7:23:1:3 Elastic anisotropy and extreme Poisson's ratios in single crystals
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7:23:1:4 Universal relation between viscous flow and fast dynamics in glass-forming materials
DOI:10.1103/PhysRevB.81.100202 JN:PHYSICAL REVIEW B PY:2010 TC:17 AU: Scopigno, T.;Cangialosi, D.;Ruocco, G.;
7:23:2:1 Extreme Poisson's ratios and their electronic origin in B2 CsCl-type AB intermetallic compounds
DOI:10.1103/PhysRevB.85.134108 JN:PHYSICAL REVIEW B PY:2012 TC:6 AU: Wang, X. F.;Jones, Travis E.;Li, W.;Zhou, Y. C.;
7:23:2:2 X-ray diffraction study of the phase purity, order and texture of ductile B2 intermetallics
DOI:10.1016/j.actamat.2010.01.026 JN:ACTA MATERIALIA PY:2010 TC:5 AU: Mulay, R. P.;Wollmershauser, J. A.;Heisel, M. A.;Bei, H.;Russell, A. M.;Agnew, S. R.;
7:23:2:3 The deformation behavior of DyCu ductile intermetallic compound under compression
DOI:10.1016/j.msea.2011.06.038 JN:MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES PY:2011 TC:4 AU: Cao, G. H.;Yu, Z.;Russell, A. M.;
7:23:2:4 Topological Catastrophe and Isostructural Phase Transition in Calcium
DOI:10.1103/PhysRevLett.105.265702 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:10 AU: Jones, Travis E.;Eberhart, Mark E.;Clougherty, Dennis P.;
7:23:3:1:1 Shock melting of cerium
DOI:10.1103/PhysRevB.81.214109 JN:PHYSICAL REVIEW B PY:2010 TC:8 AU: Jensen, B. J.;Cherne, F. J.;Cooley, J. C.;Zhernokletov, M. V.;Kovalev, A. E.;
7:23:3:1:2 Phase states of dynamically compressed cerium
DOI:10.1103/PhysRevB.84.094120 JN:PHYSICAL REVIEW B PY:2011 TC:1 AU: Elkin, V. M.;Mikhaylov, V. N.;Petrovtsev, A. V.;Cherne, F. J.;
7:23:3:1:3 Dynamic compression of cerium in the low-pressure gamma-alpha region of the phase diagram
DOI:10.1063/1.4732126 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:2 AU: Jensen, B. J.;Cherne, F. J.;
7:23:3:2:1 Hugoniot and sound velocity measurements of bismuth in the range of 11-70 GPa
DOI:10.1063/1.4792755 JN:JOURNAL OF APPLIED PHYSICS PY:2013 TC:2 AU: Tan, Ye;Yu, Yuying;Dai, Chengda;Jin, Ke;Wang, Qingsong;Hu, Jianbo;Tan, Hua;
7:23:3:2:2 Shock-induced decomposition of a high density glass (ZF6)
DOI:10.1063/1.3601115 JN:JOURNAL OF APPLIED PHYSICS PY:2011 TC:1 AU: Zhou, Xianming;Liu, Xun;Li, Jiabo;Li, Jun;Cao, Xiuxia;
7:23:3:2:3 On equation of state, elastic, and lattice dynamic stability of bcc bismuth under high pressure: Ab-initio calculations
DOI:10.1063/1.4863785 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:0 AU: Mukherjee, D.;Sahoo, B. D.;Joshi, K. D.;Gupta, Satish C.;
7:23:4:1 Anisotropic elasticity and abnormal Poisson's ratios in super-hard materials
DOI:10.1063/1.4904100 JN:AIP ADVANCES PY:2014 TC:0 AU: Huang, Chuanwei;Li, Rongpeng;Chen, Lang;
7:23:4:2 Anisotropy of bond projections in simple crystal structures
DOI:10.1103/PhysRevB.84.132106 JN:PHYSICAL REVIEW B PY:2011 TC:1 AU: Simunek, Antonin;
7:23:4:3 Effect of Adhesive Interactions on Static Friction at the Atomic Scale
DOI:10.1103/PhysRevLett.105.056102 JN:PHYSICAL REVIEW LETTERS PY:2010 TC:6 AU: Carkner, Carolyn J.;Haw, Sarah M.;Mosey, Nicholas J.;
7:23:5:1 Mesoscale friction anisotropy revealed by slidingless tests
DOI:10.1557/jmr.2011.270 JN:JOURNAL OF MATERIALS RESEARCH PY:2011 TC:1 AU: Annett, James;Gao, Yanfei;Cross, Graham L. W.;Herbert, Erik G.;Lucas, Barry N.;
7:23:5:2 Effective Poisson's ratio from combined normal and lateral contacts of single crystals
DOI:10.1557/jmr.2011.330 JN:JOURNAL OF MATERIALS RESEARCH PY:2012 TC:1 AU: Lee, J. H.;Gao, Y. F.;Pharr, G. M.;
7:23:5:3 Determining the coefficient of friction between solids without sliding
DOI:10.1016/j.wear.2010.04.017 JN:WEAR PY:2010 TC:2 AU: Reina, S.;Paynter, R. J. H.;Hills, D. A.;Dini, D.;
7:24:1:1 Effects of molecular weight on poly(omega-pentadecalactone) mechanical and thermal properties
DOI:10.1016/j.polymer.2010.01.007 JN:POLYMER PY:2010 TC:32 AU: Cai, Jiali;Liu, Chen;Cai, Minmin;Zhu, Jie;Zuo, Feng;Hsiao, Benjamin S.;Gross, Richard A.;
7:24:1:2 Caseinate Based Biodegradable Films with Improved Water Resistance
DOI:10.1002/app.32146 JN:JOURNAL OF APPLIED POLYMER SCIENCE PY:2010 TC:8 AU: Audic, Jean-Luc;Chaufer, Bernard;
7:24:1:3 Aliphatic/aromatic copolyesters containing biobased omega-hydroxyfatty acids: Synthesis and structure-property relationships
DOI:10.1016/j.polymer.2013.05.007 JN:POLYMER PY:2013 TC:6 AU: Celli, Annamaria;Marchese, Paola;Sullalti, Simone;Cai, Jiali;Gross, Richard A.;
7:24:1:4 Characterization of biodegradable poly(butylene adipate--terephtalate)/sodium caseinate films loaded with an alkyl furanoside as antimicrobial agent
DOI:10.1007/s10853-012-6480-5 JN:JOURNAL OF MATERIALS SCIENCE PY:2012 TC:2 AU: Audic, Jean-Luc;Legentil, Laurent;Nugier-Chauvin, Caroline;Ferrieres, Vincent;Potel, Michel;Roisnel, Thierry;
7:24:1:5 The environmental influence in enzymatic polymerization of aliphatic polyesters in bulk and aqueous mini-emulsion
DOI:10.1016/j.polymer.2010.09.016 JN:POLYMER PY:2010 TC:10 AU: Malberg, Sofia;Finne-Wistrand, Anna;Albertsson, Ann-Christine;
7:24:2:1 Composition-dependent physical properties of poly[(vinylidene fluoride)-co-trifluoroethylene]-poly(ethylene oxide) blends
DOI:10.1007/s10853-013-7141-z JN:JOURNAL OF MATERIALS SCIENCE PY:2013 TC:5 AU: Costa, C. M.;Tamano Machiavello, M. N.;Gomez Ribelles, J. L.;Lanceros-Mendez, S.;
7:24:2:2 Physicochemical properties of poly(vinylidene fluoride-trifluoroethylene)/poly(ethylene oxide) blend membranes for lithium ion battery applications: Influence of poly(ethylene oxide) molecular weight
DOI:10.1016/j.ssi.2014.09.029 JN:SOLID STATE IONICS PY:2014 TC:5 AU: Correia, Daniela M.;Costa, Carlos M.;Nunes-Pereira, Joao;Silva, Maria M.;Botelho, Gabriela;Gomez Ribelles, Jose Luis;Lanceros-Mendez, Senenxtu;
7:24:2:3 Electroactive Poly(Vinylidene Fluoride-Trifluorethylene) (PVDF-TrFE) Microporous Membranes for Lithium-Ion Battery Applications
DOI:10.1080/00150193.2012.677729 JN:FERROELECTRICS PY:2012 TC:7 AU: Costa, C. M.;California, A.;Cardoso, V. F.;Sencadas, V.;Rodrigues, L. C.;Silva, M. M.;Lanceros-Mendez, S.;
7:24:3:1 Effects of Plasticization and Shear Stress on Phase Structure Development and Properties of Soy Protein Blends
DOI:10.1021/am100751c JN:ACS APPLIED MATERIALS & INTERFACES PY:2010 TC:9 AU: Chen, Feng;Zhang, Jinwen;
7:24:3:2 Properties of biodegradable poly(butylene adipate-co-terephtalate) and sodium caseinate blends
DOI:10.1002/app.36765 JN:JOURNAL OF APPLIED POLYMER SCIENCE PY:2012 TC:1 AU: Audic, Jean-Luc;Chaufer, Bernard;
7:24:3:3 In-situ poly(butylene adipate-co-terephthalate)/soy protein concentrate composites: Effects of compatibilization and composition on properties
DOI:10.1016/j.polymer.2010.02.035 JN:POLYMER PY:2010 TC:18 AU: Chen, Feng;Zhang, Jinwen;
7:24:3:4 Optimization of tensile properties thermoplastic blends from soy and biodegradable polyesters: Taguchi design of experiments approach
DOI:10.1007/s10853-011-6083-6 JN:JOURNAL OF MATERIALS SCIENCE PY:2012 TC:6 AU: Reddy, Murali M.;Mohanty, Amar K.;Misra, Manjusri;
7:24:4:1 Prediction of the variation of PGA strength during hydrolysis by a combination of empirical equation, density functional theory calculation, and molecular dynamics simulation
DOI:10.1063/1.4884195 JN:AIP ADVANCES PY:2014 TC:0 AU: Chen, Chuan;Ju, Shin-Pon;Huang, Wei-Chun;Lin, Jenn-Sen;Chen, Chien-Chia;
7:24:4:2 Preparation and Characterization of Biodegradable Thermoplastic Films Based on Collagen Hydrolyzate
DOI:10.1002/app.30670 JN:JOURNAL OF APPLIED POLYMER SCIENCE PY:2010 TC:5 AU: Haroun, A. A.;
7:24:4:3 Improving the water resistance of biodegradable collagen films
DOI:10.1002/app.36461 JN:JOURNAL OF APPLIED POLYMER SCIENCE PY:2012 TC:0 AU: Sommer, Isabell;Kunz, Peter M.;
7:24:4:4 Degradation studies on highly oriented poly(glycolic acid) fibres with different lamellar structures
DOI:10.1016/j.actbio.2010.12.023 JN:ACTA BIOMATERIALIA PY:2011 TC:3 AU: de Oca, Horacio Montes;Farrar, David F.;Ward, Ian M.;
7:24:5:1 Preparation and Characterization of Polyethylene Oxide (PEO)/Gelatin Blend for Biomedical Application: Effect of Gamma Radiation
DOI:10.1002/app.32034 JN:JOURNAL OF APPLIED POLYMER SCIENCE PY:2010 TC:8 AU: Rahman, Md Arifur;Khan, Mubarak A.;Tareq, Shafi M.;
7:24:5:2 Preparation and characterization of polyvinyl alcohol-polyethylene oxide-carboxymethyl cellulose blend membranes
DOI:10.1002/app.37665 JN:JOURNAL OF APPLIED POLYMER SCIENCE PY:2013 TC:8 AU: Gupta, Bhuvanesh;Agarwal, Roopali;Alam, M. Sarwar;
7:24:5:3 Polyvinyl alcohol-polyethylene oxide-carboxymethyl cellulose membranes for drug delivery
DOI:10.1002/app.39144 JN:JOURNAL OF APPLIED POLYMER SCIENCE PY:2013 TC:11 AU: Agarwal, Roopali;Alam, M. Sarwar;Gupta, Bhuvanesh;
7:25:1 Formation of magnetic glass in calcium-doped YBaCo2O5.5 cobaltites
DOI:10.1103/PhysRevB.83.214428 JN:PHYSICAL REVIEW B PY:2011 TC:12 AU: Sarkar, Tapati;Pralong, V.;Raveau, B.;
7:25:2 On the Location of Host Ca Atoms Responsible for Ferrimagnetism in the Layered Cobaltites YBaCo2O5.5
DOI:10.1021/cm401394x JN:CHEMISTRY OF MATERIALS PY:2013 TC:1 AU: Aurelio, G.;Bardelli, F.;Junqueira Prado, R.;Sanchez, R. D.;Saleta, M. E.;Garbarino, G.;
7:25:3 Magnetisation studies of phase co-existence in Gd-1 (-) xCaxBaCo2O5.5
DOI:10.1016/j.materresbull.2012.01.023 JN:MATERIALS RESEARCH BULLETIN PY:2012 TC:7 AU: Thirumurugan, N.;Bharathi, A.;Arulraj, A.;Sundar, C. S.;
7:25:4 Stabilization of antiferromagnetic phase under hydrostatic pressure in layered perovskite cobaltites Nd1-xCaxBaCo2O5.5 (x=0-0.06)
DOI:10.1063/1.4885881 JN:JOURNAL OF APPLIED PHYSICS PY:2014 TC:2 AU: Pietosa, J.;Szewczyk, A.;Puzniak, R.;Wisniewski, A.;Dabrowski, B.;Kolesnik, S.;
7:25:5 Disorder induced negative magnetization in LaSrCoRuO6
DOI:10.1016/j.jmmm.2010.07.030 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:9 AU: Murthy, P. S. R.;Priolkar, K. R.;Bhobe, P. A.;Das, A.;Sarode, P. R.;Nigam, A. K.;
7:25:6 Tailoring the ground state of the ferrimagnet La2Ni(Ni1/3Sb2/3)O-6
DOI:10.1016/j.jmmm.2013.07.017 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2013 TC:2 AU: Franco, D. G.;Carbonio, R. E.;Kaul, E. E.;Nieva, G.;
7:25:7 Formation of magnetic glass in calcium-doped YBaCo2O5.5 cobaltites (vol 83, 214428, 2011)
DOI:10.1103/PhysRevB.84.059904 JN:PHYSICAL REVIEW B PY:2011 TC:5 AU: Sarkar, Tapati;Pralong, V.;Raveau, B.;
7:25:8 Enhancement of the Curie temperature in NdBaCo2O5.5 by A-site Ca substitution
DOI:10.1103/PhysRevB.86.064434 JN:PHYSICAL REVIEW B PY:2012 TC:2 AU: Kolesnik, S.;Dabrowski, B.;Chmaissem, O.;Avci, S.;Hodges, J. P.;Avdeev, M.;Swierczek, K.;
7:25:9 Magnetic phase evolution in Fe substituted GdBaCo2O5.5
DOI:10.1016/j.jmmm.2009.09.007 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:7 AU: Thirumurugan, N.;Bharathi, A.;Sundar, C. S.;
7:25:10 Structure, transport and magnetic properties in La2xSr2-2xCo2xRu2-2xO6
DOI:10.1016/j.jmmm.2010.11.024 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2011 TC:2 AU: Murthy, P. S. R.;Priolkar, K. R.;Bhobe, P. A.;Das, A.;Sarode, P. R.;Nigam, A. K.;
7:25:11 Influence of the B-site ordering on the magnetic properties of the new La3Co2MO9 double perovskites with M = Nb or Ta
DOI:10.1016/j.materresbull.2010.09.033 JN:MATERIALS RESEARCH BULLETIN PY:2011 TC:5 AU: Fuertes, V. C.;Blanco, M. C.;Franco, D. G.;De Paoli, J. M.;Sanchez, R. D.;Carbonio, R. E.;
7:25:12 Crystal field effect on the effective magnetic moment in A(2)CoWO(6) (A = Ca, Sr and Ba)
DOI:10.1016/j.materresbull.2012.02.008 JN:MATERIALS RESEARCH BULLETIN PY:2012 TC:5 AU: Lopez, C. A.;Saleta, M. E.;Curiale, J.;Sanchez, R. D.;
7:25:13 Preparation, crystal structure and properties of HoBaCo2-xFexO5+delta
DOI:10.1016/j.materresbull.2013.02.027 JN:MATERIALS RESEARCH BULLETIN PY:2013 TC:1 AU: Gavrilova, L. Ya;Volkova, N. E.;Aksenova, T. V.;Cherepanov, V. A.;
7:25:14 Comparison of magnetic and thermoelectric properties of (Nd,Ca)BaCo2O5.5 and (Nd,Ca)CoO3
DOI:10.1063/1.3679561 JN:JOURNAL OF APPLIED PHYSICS PY:2012 TC:4 AU: Kolesnik, S.;Dabrowski, B.;Chmaissem, O.;Wojciechowski, K.;Swierczek, K.;
7:25:15 Antiferromagnetic ordering in the double perovskites La2-xSrxCoRuO6
DOI:10.1016/j.jmmm.2009.06.035 JN:JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS PY:2010 TC:1 AU: Dlouha, M.;Hejtmanek, J.;Jirak, Z.;Knizek, K.;Tomes, P.;Vratislav, S.;
7:26:1 Confocal fluorescence microscopy in alumina-based ceramics: Where does the signal come from?
DOI:10.1016/j.jeurceramsoc.2009.08.020 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:10 AU: Guo, Sheng;Todd, Richard I.;
7:26:2 Quantitative optical fluorescence microprobe measurements of stresses around indentations in Al2O3 and Al2O3/SiC nanocomposites: The influence of depth resolution and specimen translucency
DOI:10.1016/j.actamat.2010.12.055 JN:ACTA MATERIALIA PY:2011 TC:4 AU: Guo, Sheng;Todd, R. I.;
7:26:3 Cr3+ microspectroscopy measurements and modelling of local variations in surface grinding stresses in polycrystalline alumina
DOI:10.1016/j.jeurceramsoc.2010.04.016 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2010 TC:7 AU: Guo, Sheng;Todd, Richard I.;
7:26:4 High resolution optical microprobe investigation of surface grinding stresses in Al2O3 and Al2O3/SiC nanocomposites
DOI:10.1016/j.jeurceramsoc.2010.08.021 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2011 TC:6 AU: Guo, Sheng;Limpichaipanit, Apichart;Todd, R. I.;
7:26:5 Quantitative analysis of the residual stress and dislocation density distributions around indentations in alumina and zirconia toughened alumina (ZTA) ceramics
DOI:10.1016/j.jeurceramsoc.2013.09.021 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:3 AU: Huang, S.;Binner, J. G. P.;Vaidhyanathan, B.;Todd, R. I.;
7:26:6 Three-dimensional crack observation, quantification and simulation in a quasi-brittle material
DOI:10.1016/j.actamat.2013.07.011 JN:ACTA MATERIALIA PY:2013 TC:10 AU: Mostafavi, M.;Baimpas, N.;Tarleton, E.;Atwood, R. C.;McDonald, S. A.;Korsunsky, A. M.;Marrow, T. J.;
7:26:7 Precise determination of phonon constants in lead-free monoclinic (K0.5Na0.5)NbO3 single crystals
DOI:10.1063/1.4860416 JN:APPLIED PHYSICS LETTERS PY:2014 TC:1 AU: Rafiq, Muhammad Asif;Supancic, Peter;Costa, M. Elisabete;Vilarinho, Paula M.;Deluca, Marco;
7:26:8 Image-based modelling of binary composites
DOI:10.1016/j.commatsci.2012.02.046 JN:COMPUTATIONAL MATERIALS SCIENCE PY:2012 TC:5 AU: Tarleton, E.;Charalambides, M. N.;Leppard, C.;
7:26:9 In situ quantitative three-dimensional characterisation of sub-indentation cracking in polycrystalline alumina
DOI:10.1016/j.jeurceramsoc.2014.04.002 JN:JOURNAL OF THE EUROPEAN CERAMIC SOCIETY PY:2014 TC:1 AU: Vertyagina, Yelena;Mostafavi, Mahmoud;Reinhard, Christina;Atwood, Robert;Marrow, T. James;
7:27:1 Evaluation of the dislocation density and dislocation character in cold rolled Type 304 steel determined by profile analysis of X-ray diffraction
DOI:10.1016/j.actamat.2011.03.055 JN:ACTA MATERIALIA PY:2011 TC:33 AU: Shintani, Takashi;Murata, Yoshinori;
7:27:2 Low strain rate deformation behavior of a Cr-Mn austenitic steel at -80 degrees C
DOI:10.1016/j.actamat.2012.07.055 JN:ACTA MATERIALIA PY:2012 TC:9 AU: Sahu, P.;Shee, S. K.;Hamada, A. S.;Rovatti, L.;Sahu, T.;Mahato, B.;Chowdhury, S. Ghosh;Porter, D. A.;Karjalainen, L. P.;
7:27:3 Predicting the critical pre-aging time in ECAP processing of age-hardenable aluminum alloys
DOI:10.1016/j.jallcom.2011.05.025 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2011 TC:11 AU: Roshan, M. R.;Jahromi, S. A. Jenabali;Ebrahimi, R.;
7:27:4 Reverse transformation of deformation-induced martensite in austenitic stainless steel studied by positron annihilation
DOI:10.1007/s10853-014-8555-y JN:JOURNAL OF MATERIALS SCIENCE PY:2014 TC:1 AU: Dryzek, E.;Sarnek, M.;Wrobel, M.;
7:27:5 Microstructural characteristics and tensile properties of nano-composite Al 2014/4 wt.% Al2O3 produced from machining chips
DOI:10.1016/j.jallcom.2013.03.182 JN:JOURNAL OF ALLOYS AND COMPOUNDS PY:2013 TC:5 AU: Roshan, M. R.;Mirzaei, M.;Jahromi, S. A. Jenabali;
7:27:6 Dislocation Density of Lath Martensite in 10Cr-5W Heat-Resistant Steels
DOI:10.2320/matertrans.M2011201 JN:MATERIALS TRANSACTIONS PY:2011 TC:2 AU: Cong, Zhenhua;Murata, Yoshinori;
7:27:7 Microstructural evolution of nanocrystalline chips particles produced via large strain machining during ball milling
DOI:10.1016/j.powtec.2013.07.028 JN:POWDER TECHNOLOGY PY:2013 TC:0 AU: Roshan, M. R.;Soltanpour, M.;Jahromi, S. A. Jenabali;
7:27:8 Use of positron annihilation measurements to detect the defect beneath worn surface of stainless steel 1.4301 (EN) under dry sliding condition
DOI:10.1016/j.wear.2012.07.006 JN:WEAR PY:2012 TC:6 AU: Dryzek, Jerzy;Horodek, Pawel;Wrobel, Miroslaw;
7:28:1 Creation of Nanostuctures by Extreme Conditions: High-Pressure Synthesis of Ultrahard Nanocrystalline Cubic Boron Nitride
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7:28:2 Elasticity of cubic boron nitride under ambient conditions
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7:28:3 Direct coating of cubic boron nitride with titanium powder under high pressure and high temperature
DOI:10.1016/j.matlet.2014.02.107 JN:MATERIALS LETTERS PY:2014 TC:0 AU: Wang, Shuang;Guo, Wei;Ma, Hong-an;Jia, Xiaopeng;
7:28:4 Elasticity and hardness of nano-polycrystalline boron nitrides: The apparent Hall-Petch effect
DOI:10.1063/1.4894377 JN:APPLIED PHYSICS LETTERS PY:2014 TC:0 AU: Nagakubo, A.;Ogi, H.;Sumiya, H.;Hirao, M.;
7:28:5 Synthesis and formation mechanism of cubic boron nitride nanorods in lithium bromide molten salt
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7:28:6 Elastic constants of cubic and wurtzite boron nitrides
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7:28:7 Oxidation of ZrB2 Nanoparticles at High Temperature under Low Oxygen Pressure
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7:28:8 Boron phosphide under pressure: In situ study by Raman scattering and X-ray diffraction
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7:28:9 Effect of Al additive on the formation of cubic boron nitride in Li3N-hBN system under HPHT
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7:28:10 Synthesis of nanocrystalline bulk SiO2 stishovite with very high toughness
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7:29:1 Bandgap Engineering of Graphene by Physisorbed Adsorbates
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7:29:2 Bandgap engineering of graphene by corrugation on lattice-mismatched MgO (111)
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7:29:3 Electrical control of the superconducting-to-insulating transition in graphene-metal hybrids
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7:29:4 First-principles calculations of the indigo encapsulation and adsorption by MgO nanotubes
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7:30:1 Three-dimensional off-lattice Monte Carlo simulations on a direct relation between experimental process parameters and fractal dimension of colloidal aggregates
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7:30:2 Understanding Morphology-Controlled Synthesis of Zinc Nanoparticles and Their Characteristics of Hydrolysis Reaction
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7:30:3 Microstructure-Controlled Aerosol-Gel Synthesis of ZnO Quantum Dots Dispersed in SiO2 Nanospheres
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7:30:4 Formation of colloidal assemblies in suspensions for Pb(Mg1/3Nb2/3)O-3 synthesis: Monte Carlo simulation study
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7:30:5 Thermogravimetric analysis of the hydrolysis of zinc particles
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7:30:6 Mechanism of Zn Particle Oxidation by H2O and CO2 in the Presence of ZnO
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7:30:7 Multiple time scales and cluster formation mechanisms in charge-heteroaggregation processes
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7:31:1 Leakage current and structural analysis of annealed HfO2/La2O3 and CeO2/La2O3 dielectric stacks: A nanoscopic study
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7:31:2 Grain boundary assisted degradation and breakdown study in cerium oxide gate dielectric using scanning tunneling microscopy
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7:31:3 Determination of band alignment of pulsed-laser-deposited perovskite titanate/III-V semiconductor heterostructure using X-ray and ultraviolet photoelectron spectroscopy
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7:31:4 Characterization of HfO2/La2O3 layered stacking deposited on Si substrate
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